NANIWA series is a computational code for performing first principles quantum dynamics calculations. As the description implies, it is a quantum mechanical version of classical molecular dynamics (MD) calculations. A classical description of the system involved in, e.g., surface reactions (dissociative scattering, molecular scattering, dissociative adsorption, associative desorption, etc.) can be used, when quantum effects, such as tunneling, diffractions, and electronic excitations, play no essential role in the dynamics. In addition to this, the kinetic energy of, e.g., the impinging particle must be large enough, to ensure that the de Broglie wavelength is much smaller than the lattice constant of the solid (typically of the order of a few Angstroms), to be able to neglect interference phenomena. For hydrogen, with a translational energy of say 20 meV, the de Broglie wavelength is a few Angstroms. This dictates that we treat hydrogen as a quantum particle! For all the relevant surface reactions, there is a strong interaction between the impinging particle and the surface. This compounds the situation because interactions imply coupling between the internal degrees-of-freedom (e.g., vibration, rotation, and translation) of the particles immediately involved in the reaction. The vibrational motion, e.g., requires a quantum description, esp., when the respective quanta are large. Thus, the coupling between the internal degrees-of-freedom also requires a quantum mechanical description. As one would expect, the is computation code could also handle such problems as quantum transport, and quantum scattering in general.
For the first principles quantum dynamics calculation done by NANIWA series can be broken down into two main stages, viz.,
1) Determination of the effective potential energy (hyper-) surface
(PES) governing the reaction, based on the density functional
theory [1].
2) Solution of the corresponding multi-dimensional Schrodinger
equation for the reaction described by the above-determined
PES, based on the coupled-channel method [2,3] and the
concept of a local reflection matrix [4].
[1] P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864.
[2] W. Brenig, H. Kasai, Surf. Sci. 213 (1989) 170.
[3] H. Kasai, A. Okiji, Prog. Theor. Phys. Suppl. 106 (1991) 341.
[4] W. Brenig, T. Brunner, A. Gross, R. Russ, Z. Phys. B93 (1993) 91.
Source : http://www.dyn.ap.eng.osaka-u.ac.jp/web/naniwa_series.html
Tuesday, July 27, 2010
AkaiKKR (MACHIKANEYAMA)
AkaiKKR (MACHIKANEYAMA) is a software package used for first-principles calculation of the electronic structures of metals, semiconductors and compounds, within the framework of the local density approximation or generalized gradient approximation (LDA/GGA) of density functional theory.
The package, which features both high speed and high accuracy, uses the KKR–Green’s function method. This is an all-electron method and does not suffer from any serious truncation errors such as those associated with plane-wave cutoffs. Moreover, the CPA (coherent potential approximation) is integrated into the package making it applicable not only to crystals but also to disordered systems such as impurity systems, random substitutional alloys and mixed crystals. Since the Green’s function of the system is calculated, the package provides a good starting point for first-principles calculations of linear response theory, many-body effects, and so on.
The package has been in continuous development since the late 1970s and this development continues today. It is written in Fortran 77 and is completely self-contained (no additional libraries are required). It runs equally well on a notebook PC and a supercomputer. It can be used on any platform (UNIX, Linux, Mac OS, Windows etc.) where a Fortran compiler is installed. The memory required depends on the physical system to be calculated. For instance, a spin-polarized calculation of a system with a single atom per unit cell requires no more than a megabyte of memory. However, a larger system with, say, 20 atoms per unit cell, may require 1GB of memory.
Source : http://kkr.phys.sci.osaka-u.ac.jp/
The package, which features both high speed and high accuracy, uses the KKR–Green’s function method. This is an all-electron method and does not suffer from any serious truncation errors such as those associated with plane-wave cutoffs. Moreover, the CPA (coherent potential approximation) is integrated into the package making it applicable not only to crystals but also to disordered systems such as impurity systems, random substitutional alloys and mixed crystals. Since the Green’s function of the system is calculated, the package provides a good starting point for first-principles calculations of linear response theory, many-body effects, and so on.
The package has been in continuous development since the late 1970s and this development continues today. It is written in Fortran 77 and is completely self-contained (no additional libraries are required). It runs equally well on a notebook PC and a supercomputer. It can be used on any platform (UNIX, Linux, Mac OS, Windows etc.) where a Fortran compiler is installed. The memory required depends on the physical system to be calculated. For instance, a spin-polarized calculation of a system with a single atom per unit cell requires no more than a megabyte of memory. However, a larger system with, say, 20 atoms per unit cell, may require 1GB of memory.
Source : http://kkr.phys.sci.osaka-u.ac.jp/
Thursday, May 6, 2010
Asia Computational Materials Design and Quantum Engineering Workshop 2010
INTRODUCTION
We are pleased to inform you that the Computational Material Design and Quantum Engineering Laboratory, Research Group of Engineering Physics, Faculty of Industrial Technology, Institute of Technology Bandung (ITB), in cooperation with the Kasai Laboratory of the Osaka University will organize the 3rd
Computational materials design is a computational approach aimed at developing new materials with specified properties and functionalities. The basic ingredient is the use of quantum simulations to solve the material science problems in order to design a material that suits this specification. CMD has the high potentiality to impact the real industrial research and development.
Although the subject covered in this workshop is advance nevertheless we will present it to you step by step. The workshop will be started with the overview of possible roles of CMD in Indonesia, some CMD applications, CMD in surface interactions and nano-spintronics, and followed by the development of quantum simulators. We plan the following 3 hands-on experiences :
1.) First-principles molecular dynamics program code : STATE-Senri
(developed by Yoshitada MORIKAWA)
2.) First-principles calculation code by real-space formalism : RSPACE
(developed by Tomoya ONO)
(developed by Tomoya ONO)
3.) KKR-CPA-LDA electronic - structure - computation code :
Machikaneyama (developed by Hisazumi AKAI)
Machikaneyama (developed by Hisazumi AKAI)
We are looking forward to seeing you in the campus of Insitute of Technology Bandung. You will also find pleasant places to see and enjoy recreation around the city of Bandung.
DESCRIPTION
The workshop will provide hands-on experience of the quantum simulation. We chose to use an open source application so that the participants can easily develop for their own purposes without an extra spending on application softwares. Although there is no computational language knowledge requirements, understanding any of it, preferably Fortran or C and Java, will be useful. The lecture, practice, and tutorial will be given by the experts form the Osaka University, the University of Tokyo, and ITB.
OBJECTIVE
After completing this workshop, the participants should familiar with DFT based ab initio computation, development of quantum simulators and computational material design paradigm in general should be able to use modern tools : Machikaneyama, STATE-Senri and RSPACE codes, for quantum simulation and material design; should be able to conduct quantum molecular dynamics and atomic motion based simulations.
WHO SHOULD ATTEND THE WORKSHOP
Lecturers, graduate students as well as practitioners in physics, chemistry, engineering physics, electrical engineering, material science and engineering. Basically every one interested in the subject are welcome. However, we will strictly limit the number of participants to 45 and the decision will be only be based on the first come first served basis.
What would you get : course hands-out and certificate
Workshop duration : 4 full-days
Schedule : July 19-22, 2010
Venue : ITB Campus, Jl. Ganesha 10 Bandung 40132
Fees : Rp 300.000,-
Rp 250.000,- (if paid before July 1, 2010)
SPONSORS
This workshop is partially sponsored by Japan Society for the Promotion of Science (JSPS), Directorate General for Higher Education (DGHE - Dirjen Dikti), Osaka University and ITB.
FACILITIES
Air-conditoned computer laboratory with multimedia facilities, lunch, snacks and certificate. Participants are encouraged to bring their own laptop so that they can install all relevant softwares for their own purpose.
INSTRUCTORS/TUTORS
The lectures will be given by Prof. Hideaki Kasai, Prof. Hiroshi Katayama Yoshida, Prof. Hiroshi Nakanishi, Prof. Yoshitada Morikawa, Prof. Tomoya Ono, Prof. Masaaki Geshi, Kazunori Sato from Osaka University, Prof. Shinji Tsuneyuki from the University of Tokyo, and Hermawan K. Dipojono, Ph.D from ITB
FURTHER CONTACTS
Research Group of Engineering Physics,
Faculty of Industrial Technology,
Faculty of Industrial Technology,
Institute of Technology Bandung (ITB)
Phone/Facs. : 022-2504424 Ext. 213 / 022-2506281
Contact Person : linagani@tf.itb.ac.id or mazna@tf.itb.ac.id
Tuesday, May 4, 2010
Data Modeling
Data modeling in software engineering is the process of creating a data model by applying formal data model descriptions using data modeling techniques.
Data modeling is a method used to define and analyze data requirements needed to support the business processes of an organization. The data requirements are recorded as a conceptual data model with associated data definitions. Actual implementation of the conceptual model is called a logical data model. To implement one conceptual data model may require multiple logical data models. Data modeling defines not just data elements, but their structures and relationships between them Data modeling techniques and methodologies are used to model data in a standard, consistent, predictable manner in order to manage it as a resource. The use of data modeling standards is strongly recommended for all projects requiring a standard means of defining and analyzing data within an organization, eg using data modeling
Data modeling may be performed during various types of projects and in multiple phases of projects. Data models are progressive; there is no such thing as the final data model for a business or application. Instead a data model should be considered a living document that will change in response to a changing business. The data models should ideally be stored in a repository so that they can be retrieved, expanded, and edited over time. Whitten (2004) determined two types of data modeling
Data modeling is also a technique for detailing business requirements for a database. It is sometimes called database modeling because a data model is eventually implemented in a database.
Data modeling is a method used to define and analyze data requirements needed to support the business processes of an organization. The data requirements are recorded as a conceptual data model with associated data definitions. Actual implementation of the conceptual model is called a logical data model. To implement one conceptual data model may require multiple logical data models. Data modeling defines not just data elements, but their structures and relationships between them Data modeling techniques and methodologies are used to model data in a standard, consistent, predictable manner in order to manage it as a resource. The use of data modeling standards is strongly recommended for all projects requiring a standard means of defining and analyzing data within an organization, eg using data modeling
Data modeling may be performed during various types of projects and in multiple phases of projects. Data models are progressive; there is no such thing as the final data model for a business or application. Instead a data model should be considered a living document that will change in response to a changing business. The data models should ideally be stored in a repository so that they can be retrieved, expanded, and edited over time. Whitten (2004) determined two types of data modeling
Data modeling is also a technique for detailing business requirements for a database. It is sometimes called database modeling because a data model is eventually implemented in a database.
Materials Studio
Materials Studio is software for simulation and modelling of materials developed and distributed by Accelrys, a company specializing in research software for computational chemistry, bioinformatics, cheminformatics, molecular simulation, and quantum mechanics.
This software is used in advanced research of various materials--polymers, nanotubes, catalysts, metals, ceramics, and so on--by universities, research centers and hi-tech companies (e.g., in nanotechnology research by ST Microelectronics)
Materials Studio is a client–server software with Microsoft Windows-based PC clients and Windows and Linux-based servers running on PCs, LINUX IA64 Workstations (including SGI Altix) and HP XC clusters.
This software is used in advanced research of various materials--polymers, nanotubes, catalysts, metals, ceramics, and so on--by universities, research centers and hi-tech companies (e.g., in nanotechnology research by ST Microelectronics)
Materials Studio is a client–server software with Microsoft Windows-based PC clients and Windows and Linux-based servers running on PCs, LINUX IA64 Workstations (including SGI Altix) and HP XC clusters.
Johnson-Holmquist Damage Model
In solid mechanics, the Johnson–Holmquist damage model is used to model the mechanical behavior of damaged brittle materials, such as ceramics, rocks, and concrete, over a range of strain rates. Such materials usually have high compressive strength but low tensile strength and tend to exhibit progressive damage under load due to the growth of microcracks.
There are two variations of the Johnson-Holmquist model that are used to model the impact performance of ceramics under ballistically delivered loads. These models were developed by Gordon R. Johnson and Timothy J. Holmquist in the 1990s with the aim of facilitating predictive numerical simulations of ballistic armor penetration. The first version of the model is called the 1992 Johnson-Holmquist 1 (JH-1) model. This original version was developed to account for large deformations but did not take into consideration progressive damage with increasing deformation; though the multi-segment stress-strain curves in the model can be interpreted as incorporating damage implicitly. The second version, developed in 1994, incorporated a damage evolution rule and is called the Johnson-Holmquist 2 (JH-2) model or, more accurately, the Johnson-Holmquist damage material model.
The Johnson-Holmquist material model (JH-2), with damage, is useful when modeling brittle materials, such as ceramics, subjected to large pressures, shear strain and high strain rates. The model attempts to include the phenomena encountered when brittle materials are subjected to load and damage, and is one of the most widely used models when dealing with ballistic impact on ceramics. The model simulates the increase in strength shown by ceramics subjected to hydrostatic pressure as well as the reduction in strength shown by damaged ceramics. This is done by basing the model on two sets of curves that plot the yield stress against the pressure. The first set of curves accounts for the intact material, while the second one accounts for the failed material. Each curve set depends on the plastic strain and plastic strain rate. A damage variable D accounts for the level of fracture.
The JH-2 material assumes that the material is initially elastic and isotropic and can be described by a relation of the form (summation is implied over repeated indices)
There are two variations of the Johnson-Holmquist model that are used to model the impact performance of ceramics under ballistically delivered loads. These models were developed by Gordon R. Johnson and Timothy J. Holmquist in the 1990s with the aim of facilitating predictive numerical simulations of ballistic armor penetration. The first version of the model is called the 1992 Johnson-Holmquist 1 (JH-1) model. This original version was developed to account for large deformations but did not take into consideration progressive damage with increasing deformation; though the multi-segment stress-strain curves in the model can be interpreted as incorporating damage implicitly. The second version, developed in 1994, incorporated a damage evolution rule and is called the Johnson-Holmquist 2 (JH-2) model or, more accurately, the Johnson-Holmquist damage material model.
The Johnson-Holmquist material model (JH-2), with damage, is useful when modeling brittle materials, such as ceramics, subjected to large pressures, shear strain and high strain rates. The model attempts to include the phenomena encountered when brittle materials are subjected to load and damage, and is one of the most widely used models when dealing with ballistic impact on ceramics. The model simulates the increase in strength shown by ceramics subjected to hydrostatic pressure as well as the reduction in strength shown by damaged ceramics. This is done by basing the model on two sets of curves that plot the yield stress against the pressure. The first set of curves accounts for the intact material, while the second one accounts for the failed material. Each curve set depends on the plastic strain and plastic strain rate. A damage variable D accounts for the level of fracture.
The JH-2 material assumes that the material is initially elastic and isotropic and can be described by a relation of the form (summation is implied over repeated indices)
Materials Science
Materials science or materials engineering is an interdisciplinary field involving the properties of matter and its applications to various areas of science and engineering. This science investigates the relationship between the structure of materials at atomic or molecular scales and their macroscopic properties. It includes elements of applied physics and chemistry. With significant media attention focused on nanoscience and nanotechnology in recent years, materials science has been propelled to the forefront at many universities. It is also an important part of forensic engineering and failure analysis. Materials science also deals with fundamental properties and characteristics of materials.
The material of choice of a given era is often its defining point; the Stone Age, Bronze Age, and Steel Age are examples of this. Materials science is one of the oldest forms of engineering and applied science, deriving from the manufacture of ceramics. Modern materials science evolved directly from metallurgy, which itself evolved from mining. A major breakthrough in the understanding of materials occurred in the late 19th century, when the American scientist Josiah Willard Gibbs demonstrated that the thermodynamic properties related to atomic structure in various phases are related to the physical properties of a material. Important elements of modern materials science are a product of the space race the understanding and engineering of the metallic alloys, and silica and carbon materials, used in the construction of space vehicles enabling the exploration of space. Materials science has driven, and been driven by, the development of revolutionary technologies such as plastics, semiconductors, and biomaterials.
Before the 1960s (and in some cases decades after), many materials science departments were named metallurgy departments, from a 19th and early 20th century emphasis on metals. The field has since broadened to include every class of materials, including ceramics, polymers, semiconductors, magnetic materials, medical implant materials and biological materials (materiomics).
In materials science, rather than haphazardly looking for and discovering materials and exploiting their properties, the aim is instead to understand materials so that new materials with the desired properties can be created.
The material of choice of a given era is often its defining point; the Stone Age, Bronze Age, and Steel Age are examples of this. Materials science is one of the oldest forms of engineering and applied science, deriving from the manufacture of ceramics. Modern materials science evolved directly from metallurgy, which itself evolved from mining. A major breakthrough in the understanding of materials occurred in the late 19th century, when the American scientist Josiah Willard Gibbs demonstrated that the thermodynamic properties related to atomic structure in various phases are related to the physical properties of a material. Important elements of modern materials science are a product of the space race the understanding and engineering of the metallic alloys, and silica and carbon materials, used in the construction of space vehicles enabling the exploration of space. Materials science has driven, and been driven by, the development of revolutionary technologies such as plastics, semiconductors, and biomaterials.
Before the 1960s (and in some cases decades after), many materials science departments were named metallurgy departments, from a 19th and early 20th century emphasis on metals. The field has since broadened to include every class of materials, including ceramics, polymers, semiconductors, magnetic materials, medical implant materials and biological materials (materiomics).
In materials science, rather than haphazardly looking for and discovering materials and exploiting their properties, the aim is instead to understand materials so that new materials with the desired properties can be created.
Urban Metabolism
Urban Metabolism is a model to facilitate the description and analysis of the flows of the materials and energy within cities, such as undertaken in a Material flow analysis of a city. First used as an exploration and comparison modeling tool by Abel Wolman in "The metabolism of Cities". The use of the Urban Metabolism model offers benefits to studies of the sustainablity of cities by providing a unified or holisitc viewpoint to encompass all of the activities of a city in a single model.
The concept of ‘urban metabolism’ has been used to describe the resource consumption and waste generation of the cities for some time (see for example, Wolman, 1965). Historically, first suggestions that quasi-organism analogies may help in understanding cities - including references to 'metabolism' - were made by the Chicago school of urban sociology (Burgess and others). Presently, the great advocate and populariser of the term has been the British educator and author Herbert Girardet. More recently the metabolism frame of reference has been used in the reporting of environmental information in Australia and it has been suggested that it can be used to define the sustainability of a city within the ecosystems capacity to support it. A strong theme in present literature on urban sustainablity is that of the need to view the urban system as a whole if we are to best understand and solve the complex problems.
Uses of the model are however not restricted to strictly functional analysis, as the model has been adapted to examine the relational aspects of urban relationships between infrastructure and citizens
The concept of ‘urban metabolism’ has been used to describe the resource consumption and waste generation of the cities for some time (see for example, Wolman, 1965). Historically, first suggestions that quasi-organism analogies may help in understanding cities - including references to 'metabolism' - were made by the Chicago school of urban sociology (Burgess and others). Presently, the great advocate and populariser of the term has been the British educator and author Herbert Girardet. More recently the metabolism frame of reference has been used in the reporting of environmental information in Australia and it has been suggested that it can be used to define the sustainability of a city within the ecosystems capacity to support it. A strong theme in present literature on urban sustainablity is that of the need to view the urban system as a whole if we are to best understand and solve the complex problems.
Uses of the model are however not restricted to strictly functional analysis, as the model has been adapted to examine the relational aspects of urban relationships between infrastructure and citizens
Markus J. Buehler
Markus J. Buehler is a German-American materials scientist working in the area of computational multi-scale modeling of deformation and fracture of materials. He currently holds the Esther and Harold E. Edgerton Career Development Professorship at the Massachusetts Institute of Technology.
After undergraduate education at the University of Stuttgart, Germany in Chemical and Process Engineering, Markus Buehler received his M.S. degree in Engineering Mechanics from Michigan Technological University in 2001. From 2001 to 2004 he worked at the Max Planck Institute for Metals Research in Stuttgart under the supervision of Professor Huajian Gao, Germany as a research assistant from where he also received his Ph.D. in Chemistry.
From 2004 to 2005, he held an appointment as the Director of Multiscale Modeling and Software Integration and Postdoctoral Scholar at the Materials and Process Simulation Center at the California Institute of Technology in Professor William A. Goddard’s group. There he oversaw multi-scale method development and applications in modeling of small-scale materials phenomena.
In 2005, he joined the Massachusetts Institute of Technology (MIT) for an appointment as a Postdoctoral Associate. He assumed a faculty appointment in the Department of Civil and Environmental Engineering in 2006. Prof. Buehler founded MIT’s Laboratory for Atomistic and Molecular Mechanics, where his research is focused on multi-scale modeling and simulation of complex hierarchical protein materials. His current research interest is focused on collagenous tissues, bone, spider silk, amyloids, as well as the mechanics of the cell’s cytoskeleton. Overall his main interests are in the elucidation of materials science paradigms for protein materials, with particular focus on fracture and deformation, which falls into an area of study referred to as materiomics. His goal is the advancement of the understanding of large hierarchical assemblies of protein structures and protein materials in biology. Prof. Buehler also works on the transfer of knowledge of materials science from biology to technological applications in the design of biomimetic materials and nanotechnology. A particular focus of his research program at MIT is the application of fracture mechanics concepts to understand the behavior and structural concepts of proteins and protein materials. He has demonstrated these approaches in several classes of protein materials, such as alpha-helices, beta-sheets and tropocollagen molecules. He has also developed the universality-diversity-paradigm (UDP) applied to protein materials, which provides a new analysis platform to describe the behavior of proteins and other biopolymers in the context of a broader range of properties, including the biological role, materials properties, process-structure integration and the possibility to enrich current engineering paradigms of generating structures at the nanoscale.
After undergraduate education at the University of Stuttgart, Germany in Chemical and Process Engineering, Markus Buehler received his M.S. degree in Engineering Mechanics from Michigan Technological University in 2001. From 2001 to 2004 he worked at the Max Planck Institute for Metals Research in Stuttgart under the supervision of Professor Huajian Gao, Germany as a research assistant from where he also received his Ph.D. in Chemistry.
From 2004 to 2005, he held an appointment as the Director of Multiscale Modeling and Software Integration and Postdoctoral Scholar at the Materials and Process Simulation Center at the California Institute of Technology in Professor William A. Goddard’s group. There he oversaw multi-scale method development and applications in modeling of small-scale materials phenomena.
In 2005, he joined the Massachusetts Institute of Technology (MIT) for an appointment as a Postdoctoral Associate. He assumed a faculty appointment in the Department of Civil and Environmental Engineering in 2006. Prof. Buehler founded MIT’s Laboratory for Atomistic and Molecular Mechanics, where his research is focused on multi-scale modeling and simulation of complex hierarchical protein materials. His current research interest is focused on collagenous tissues, bone, spider silk, amyloids, as well as the mechanics of the cell’s cytoskeleton. Overall his main interests are in the elucidation of materials science paradigms for protein materials, with particular focus on fracture and deformation, which falls into an area of study referred to as materiomics. His goal is the advancement of the understanding of large hierarchical assemblies of protein structures and protein materials in biology. Prof. Buehler also works on the transfer of knowledge of materials science from biology to technological applications in the design of biomimetic materials and nanotechnology. A particular focus of his research program at MIT is the application of fracture mechanics concepts to understand the behavior and structural concepts of proteins and protein materials. He has demonstrated these approaches in several classes of protein materials, such as alpha-helices, beta-sheets and tropocollagen molecules. He has also developed the universality-diversity-paradigm (UDP) applied to protein materials, which provides a new analysis platform to describe the behavior of proteins and other biopolymers in the context of a broader range of properties, including the biological role, materials properties, process-structure integration and the possibility to enrich current engineering paradigms of generating structures at the nanoscale.
Product Structure Modeling
Product structure is a hierarchical decomposition of a product, typically known as the bill of materials (BOM). As business becomes more responsive to unique consumer tastes and derivative products grow to meet the unique configurations, BOM management can become unmanageable.
Advanced modeling techniques are necessary to cope with configurable products where changing a small part of a product can have multiple impacts on other product structure models. Concepts within this entry are all caps locked in order to indicate these concepts.
Several concepts are related to the subject of product structure modeling. All these concepts are discussed in this section. These concepts are divided into two main aspects. First the product breakdown is discussed which involves all the physical aspects of a product. Second, different views at the product structure are indicated.
Figure 1 illustrates the concepts that are important to the structure of a product. This is a meta-data model, which can be used for modeling the instances in a specific case of product structuring.
Advanced modeling techniques are necessary to cope with configurable products where changing a small part of a product can have multiple impacts on other product structure models. Concepts within this entry are all caps locked in order to indicate these concepts.
Several concepts are related to the subject of product structure modeling. All these concepts are discussed in this section. These concepts are divided into two main aspects. First the product breakdown is discussed which involves all the physical aspects of a product. Second, different views at the product structure are indicated.
Figure 1 illustrates the concepts that are important to the structure of a product. This is a meta-data model, which can be used for modeling the instances in a specific case of product structuring.
Multiscale modeling
In engineering, physics, meteorology and computer science, multiscale modeling is the field of solving physical problems which have important features at multiple scales, particularly multiple spatial and(or) temporal scales. Important problems include scale linking (Baeurle 2009, Baeurle 2006, Knizhnik 2002, Adamson 2007).
Multiscale modeling in physics is aimed to calculation of material properties or system behaviour on one level using information or models from different levels. On each level particular approaches are used for description of a system. Following levels are usually distinguished level of quantum mechanical models (information about electrons is included), level of molecular dynamics models (information about individual atoms is included), mesoscale or nano level (information about groups of atoms and molecules is included), level of continuum models, level of device models. Each level addresses a phenomenon over a specific window of length and time. Multiscale modeling is particularly important in integrated computational materials engineering since it allows to predict material properties or system behaviour based on knowledge of the atomistic structure and properties of elementary processes.
In Operations Research, multiscale modeling addresses challenges for decision makers which come from multiscale phenomena across organizational, temporal and spatial scales. This theory fuses decision theory and multiscale mathematics and is referred to as Multiscale decision making. The Multiscale decision making approach draws upon the analogies between physical systems and complex man-made systems.
In Meteorology, multiscale modeling is the modeling of interaction between weather systems of different spatial and temporal scales that produces the weather that we experience finally. The most challenging task is to model the way through which the weather systems interact as models cannot see beyond the limit of the model grid size. In other words, to run an atmospheric model that is having a grid size (very small ~ 500 m) which can see each possible cloud structure for the whole globe is computationally very expensive. On the other hand, a computationally feasible Global climate model (GCM, with grid size ~ 100km, cannot see the smaller cloud systems. So we need to come to a balance point so that the model becomes computationally feasible and at the same we do not loose much information, with the help of making some rational guesses, a process called Parameterization.
Multiscale modeling in physics is aimed to calculation of material properties or system behaviour on one level using information or models from different levels. On each level particular approaches are used for description of a system. Following levels are usually distinguished level of quantum mechanical models (information about electrons is included), level of molecular dynamics models (information about individual atoms is included), mesoscale or nano level (information about groups of atoms and molecules is included), level of continuum models, level of device models. Each level addresses a phenomenon over a specific window of length and time. Multiscale modeling is particularly important in integrated computational materials engineering since it allows to predict material properties or system behaviour based on knowledge of the atomistic structure and properties of elementary processes.
In Operations Research, multiscale modeling addresses challenges for decision makers which come from multiscale phenomena across organizational, temporal and spatial scales. This theory fuses decision theory and multiscale mathematics and is referred to as Multiscale decision making. The Multiscale decision making approach draws upon the analogies between physical systems and complex man-made systems.
In Meteorology, multiscale modeling is the modeling of interaction between weather systems of different spatial and temporal scales that produces the weather that we experience finally. The most challenging task is to model the way through which the weather systems interact as models cannot see beyond the limit of the model grid size. In other words, to run an atmospheric model that is having a grid size (very small ~ 500 m) which can see each possible cloud structure for the whole globe is computationally very expensive. On the other hand, a computationally feasible Global climate model (GCM, with grid size ~ 100km, cannot see the smaller cloud systems. So we need to come to a balance point so that the model becomes computationally feasible and at the same we do not loose much information, with the help of making some rational guesses, a process called Parameterization.
Aluminum Anodizing Technology and Market Assessment
The rapid growth and widespread use of aluminum since World War II is tied directly to the ability of anodizing processes to protect it from corrosion, improve its appearance by way of brightening it and offering a rainbow of colors, and imparting ceramic-like toughness to its outer skin (especially through hardcoat anodizing).
Hydrated aluminum oxide is the stable form of aluminum in nature; thus, unprotected aluminum exposed to air and water will corrode, forming a discontinuous, powdery, white corrosion product. This form of natural oxide growth, if unchecked, will proceed as long as unreacted aluminum is exposed. Anodizing can actually be envisioned as an accelerated corrosion process; the difference between anodizing and the natural process is that anodizing forms a more dense, continuous, oxide layer.
Anodizing has several benefits over other coating choices. For example, while plating and painting protect aluminum, there will always be a barrier between the coating and aluminum substrate with these treatments; the only bond between the two is mechanical. If the bond in this barrier region is compromised by way of poor substrate preparation, mechanical damage (e.g., scratching), or gradual degradation (e.g., general corrosion), raw aluminum will be exposed and corrosion can commence.
Anodizing, on the other hand, is a conversion coating process that results in a chemical bond between an anodic aluminum oxide layer and the aluminum basis material, which is much stronger than a mechanical bond. Whereas painted or plated coatings over aluminum can be peeled away, there is no way to separate the anodic layer from the aluminum on which it formed.
In addition to the bonding issue, paints and plated metallic layers are much softer than aluminum oxide. On the well known Moh scale of mineral hardness, one form of naturally occurring aluminum oxide, namely corundum, is the ninth hardest out of ten. The only mineral harder is diamond! With this in mind, it's not surprising to learn that a component coated with the hardest plated metal (namely hard chrome) will wear more readily than an identical component that is hardcoat anodized.
Lastly, the mechanism of oxide growth during anodizing results in a porous structure. This permits further surface modification such as:
-Dyeing to impart nearly any color to the anodic layer
-Sealing with a lubricative material such as molybdenum disulfide or PTFE
-Infiltration with an adhesive primer for bonding applications
These factors, coupled with the fact that anodizing is more economical than either powder coating or plating, point to the continued importance of anodizing as the coating of choice for aluminum in a wide range of applications.
Having been practiced for decades, Guideline generally considers anodizing to be a mature technology. Changes to existing approaches tend to be incremental process enhancements (whether for functional of decorative purposes) such as new electrolyte "recipes", rather than revolutionary technology shifts.
In spite of this, we do see several areas where technological improvements might bring about significant new opportunities for anodizers.
The strongest growth category for anodized aluminum appears to be that of transportation. An expected increase in the production of new aircraft to replace aging fleets and the auto industry's trend of increasing the use of aluminum for vehicle frames and bodies are expected to be the primary drivers of this growth. Another large anodizing category, architectural aluminum, does not appear to be poised for significant growth; in fact, this market may already have reached its peak.
Hydrated aluminum oxide is the stable form of aluminum in nature; thus, unprotected aluminum exposed to air and water will corrode, forming a discontinuous, powdery, white corrosion product. This form of natural oxide growth, if unchecked, will proceed as long as unreacted aluminum is exposed. Anodizing can actually be envisioned as an accelerated corrosion process; the difference between anodizing and the natural process is that anodizing forms a more dense, continuous, oxide layer.
Anodizing has several benefits over other coating choices. For example, while plating and painting protect aluminum, there will always be a barrier between the coating and aluminum substrate with these treatments; the only bond between the two is mechanical. If the bond in this barrier region is compromised by way of poor substrate preparation, mechanical damage (e.g., scratching), or gradual degradation (e.g., general corrosion), raw aluminum will be exposed and corrosion can commence.
Anodizing, on the other hand, is a conversion coating process that results in a chemical bond between an anodic aluminum oxide layer and the aluminum basis material, which is much stronger than a mechanical bond. Whereas painted or plated coatings over aluminum can be peeled away, there is no way to separate the anodic layer from the aluminum on which it formed.
In addition to the bonding issue, paints and plated metallic layers are much softer than aluminum oxide. On the well known Moh scale of mineral hardness, one form of naturally occurring aluminum oxide, namely corundum, is the ninth hardest out of ten. The only mineral harder is diamond! With this in mind, it's not surprising to learn that a component coated with the hardest plated metal (namely hard chrome) will wear more readily than an identical component that is hardcoat anodized.
Lastly, the mechanism of oxide growth during anodizing results in a porous structure. This permits further surface modification such as:
-Dyeing to impart nearly any color to the anodic layer
-Sealing with a lubricative material such as molybdenum disulfide or PTFE
-Infiltration with an adhesive primer for bonding applications
These factors, coupled with the fact that anodizing is more economical than either powder coating or plating, point to the continued importance of anodizing as the coating of choice for aluminum in a wide range of applications.
Having been practiced for decades, Guideline generally considers anodizing to be a mature technology. Changes to existing approaches tend to be incremental process enhancements (whether for functional of decorative purposes) such as new electrolyte "recipes", rather than revolutionary technology shifts.
In spite of this, we do see several areas where technological improvements might bring about significant new opportunities for anodizers.
The strongest growth category for anodized aluminum appears to be that of transportation. An expected increase in the production of new aircraft to replace aging fleets and the auto industry's trend of increasing the use of aluminum for vehicle frames and bodies are expected to be the primary drivers of this growth. Another large anodizing category, architectural aluminum, does not appear to be poised for significant growth; in fact, this market may already have reached its peak.
The Differences Between Software Development and Software Engineering
Software development and software engineering go hand in hand when it comes to the implementation of software. Software development deals more with the creation of the software and when this is complete, software engineering takes over with the creation of software systems. Both of these disciplines are at times interchangeable and without much difference to the layman. If you just want to have one specific piece of software designed, such as database software that will keep track of your bird watching hobby, then you'll just need software development. If, however, you want your bird watching database to be able to support multiple functions, such as delivering a report with statistics and results, then you'll more likely need the expertise of software engineering.
Software engineers will implement and design software applications through the use of many mediums. These software applications will then be used for a variety of purposes that include business practices to entertainment purposes. It is these software applications that allow users to make their time on the computer as functional and productive as possible. Types of software applications include language applications, office applications, entertainment packages, and applications for education.
The cost of hiring a software developer will be significantly less than hiring a software engineer. Before you make your final decision about what you want the software to do you need to plan you budget, your timeline, and determine what you want the end result to be. The industry of software development continues to grow each year as more and more businesses are having their own software developed for them that is specific to what they do and what they want the software to do. Most companies will already be using some type of software application, such as Office Suite, and most likely won't need another application developed for them. For most intents and purposes you'll be fine hiring a software developer for you and your business needs.
Software engineers will implement and design software applications through the use of many mediums. These software applications will then be used for a variety of purposes that include business practices to entertainment purposes. It is these software applications that allow users to make their time on the computer as functional and productive as possible. Types of software applications include language applications, office applications, entertainment packages, and applications for education.
The cost of hiring a software developer will be significantly less than hiring a software engineer. Before you make your final decision about what you want the software to do you need to plan you budget, your timeline, and determine what you want the end result to be. The industry of software development continues to grow each year as more and more businesses are having their own software developed for them that is specific to what they do and what they want the software to do. Most companies will already be using some type of software application, such as Office Suite, and most likely won't need another application developed for them. For most intents and purposes you'll be fine hiring a software developer for you and your business needs.
Autocad - The Most Popular Software
The computer program Autocad is extremely popular and has been ever since it was created in Australia. It is used worldwide and continues to sell more than any other program that offers the same benefits.
Autocad is a computer application that was designed to edit a drawing on a graphics display screen. It is an interactive drawing system that is only able to edit one drawing at a time. It has a three dimensional database now, upgraded from the two dimensional one it used to be.
If you're looking to purchase an Autocad program, you can do so in a variety of ways. The first place you can go is a computer store. They will have many different programs you can choose from, including Autocad. You will be able to ask the salespeople any questions you have and you'll be able to take home the program that same day.
Another way you can order Autocad is online or through a catalog. Ordering online is easy because you can just type in the word, Autocad and see all the places that sell it. Then, you place a secure credit card order through the site you choose and Autocad should ship either that same day or the next day, right to your door. Catalog ordering is just as easy as online shopping as well. You just call the number provided, place your order and wait for the program to be delivered to your door.
Any way that you order Autocad, you will be given a phone number you can call to get any questions answered or to get technical support help. Once you've installed the program, you might encounter problems that you don't know how to fix, that's why it's important to hang on to that number in case something like this happens.
Autocad is a computer application that was designed to edit a drawing on a graphics display screen. It is an interactive drawing system that is only able to edit one drawing at a time. It has a three dimensional database now, upgraded from the two dimensional one it used to be.
If you're looking to purchase an Autocad program, you can do so in a variety of ways. The first place you can go is a computer store. They will have many different programs you can choose from, including Autocad. You will be able to ask the salespeople any questions you have and you'll be able to take home the program that same day.
Another way you can order Autocad is online or through a catalog. Ordering online is easy because you can just type in the word, Autocad and see all the places that sell it. Then, you place a secure credit card order through the site you choose and Autocad should ship either that same day or the next day, right to your door. Catalog ordering is just as easy as online shopping as well. You just call the number provided, place your order and wait for the program to be delivered to your door.
Any way that you order Autocad, you will be given a phone number you can call to get any questions answered or to get technical support help. Once you've installed the program, you might encounter problems that you don't know how to fix, that's why it's important to hang on to that number in case something like this happens.
How to Use 3d Software
When you're using 3d software there are some things that you should keep in mind so that you end up with the best results. The most important thing is to keep it simple when you're just learning how to use the software.
You need to recognize that you're not going to be producing highly detailed projects right from the start. Choose a background that is simple so that you can concentrate on the one subject that you're working with. You can add a more busy and complicated background after you're successfully completed your one subject.
Once you've decided what your first project is going to be you'll want to change the settings of the 3d software so that you're not using the default settings. Remember that it's the settings of the software that can help to make your project as original as possible. When you stick with the default settings of the 3d software you're producing something that has essentially been created a thousand times before.
You'll have to experiment with the 3d software until you get the settings to do what you want them to do. This may mean that you have to lower the setting of reflectivity or color dramatically but the end result of originality will be well worth it. The important thing to remember is not to get frustrated and discouraged when your first projects don't turn out the way you want them to.
It's all about learning the software and finding out what it can do for you. Once you master using the 3d software you can add on additional equipment, such as a scanner or a digital camera, and learn how to use these with your software in such a way that you're creating projects that stretch your skill.
There are several different types of 3d software on the market today so be sure to take your time deciding which one meets your designing needs before you spend what could be a great deal of money for your software.
You need to recognize that you're not going to be producing highly detailed projects right from the start. Choose a background that is simple so that you can concentrate on the one subject that you're working with. You can add a more busy and complicated background after you're successfully completed your one subject.
Once you've decided what your first project is going to be you'll want to change the settings of the 3d software so that you're not using the default settings. Remember that it's the settings of the software that can help to make your project as original as possible. When you stick with the default settings of the 3d software you're producing something that has essentially been created a thousand times before.
You'll have to experiment with the 3d software until you get the settings to do what you want them to do. This may mean that you have to lower the setting of reflectivity or color dramatically but the end result of originality will be well worth it. The important thing to remember is not to get frustrated and discouraged when your first projects don't turn out the way you want them to.
It's all about learning the software and finding out what it can do for you. Once you master using the 3d software you can add on additional equipment, such as a scanner or a digital camera, and learn how to use these with your software in such a way that you're creating projects that stretch your skill.
There are several different types of 3d software on the market today so be sure to take your time deciding which one meets your designing needs before you spend what could be a great deal of money for your software.
5 Computer Software Websites Every Computer User Needs
You can quickly and easily spend thousands of dollars buying software for your computer.
Since there are so many great computer programs out there, it's hard to resist the buying impulse.
However, before you start shelling out your hard earned money buying software for your computer, there are several things you should consider:
1. Why do I need this software?
2. Is there a free version that will work just as well?
3. What's the difference among freeware, shareware, free trials, open source, etc.?
Freeware is simply software that you can get for free. Sometimes it has advertising in it, and sometimes it doesn't. The downside of using freeware is that it might not be stable, or it contains advertising.
Shareware is where you get a full version of the software, and you get to try all of the features for a certain period of time. Then, if you want to keep it, you have to pay the fee.
Free trials allow you to try the software, but not all of the features are enabled, so you will have to upgrade to get everything to work.
Open Source is free software that has been developed by volunteer programmers and is freely available. You can even edit the source code if you like. The downside is that not all open source software is stable, and it can cause problems on your computer.
There are also other types of software, like donationware, or lite versions of the software. With lite versions, you get a working version of the software, but some of the features are disabled. Unlike a free trial, you can continue to use the lite version forever.
Below are five sites where you can get some great software for your computer.
Some of these sites are free. Others, you have to buy the software, but it's definitely worth the investment.
Freeware Home - http://www.freewarehome.com - This is absolutely one of the best websites on the internet. It contains over 7,000 programs that are all free. The programs are all full versions of the software, and there are tons of categories. If you can't find what you're looking for here, you'll be hard pressed to find it anywhere else.
Doug Knox - http://www.dougknox.com - This site is actually more of a site for scripts you can run on your computer. All of the scripts are designed to fix various computer problems you may be having. You'll also find information on different operating systems as well, so this is a good all around computer resource to help you solve your computer problems.
Snap and Pop - http://www.snapnpopdragon.com/ - This program isn't free, but I felt it was important to mention it.
This site offers a free ecourse to show you how to tweak your computer so that you can get better performance out of it. The software is especially good for anyone who is new to computers because it can help you maximize your resources, as well as fix any computer problems, and you don't need to be a computer geek to do it.
Webmaster Free - http://www.webmasterfree.com - If you are a webmaster, or you're considering building a website, this site is absolutely invaluable.
You'll find every possible tool you can imagine to help you build, upload, and promote your website. Although there are plenty of free trials and shareware located here, there's enough free software on this site to keep you browsing for days. This site is part of the iEntry Network, where you can find tons of information on just about anything, especially if it's related to business.
Jumbo - http://www.jumbo.com - This is one of the oldest software sites on the internet and contains thousands of programs. You can find all kinds of freeware, shareware, free trials, and other computer software to download. This site also offers software for just about any operating system. Part of the internet.com network.
There are tons of places on the internet to find free software. However, it's important that you use a reliable site to find it. Otherwise, you can end up with all kinds of spyware, adware, and malware on your computer, and it will cause you all kinds of problems.
Avoid all of that by surfing on reliable sites. These sites will keep you surfing for days, and you'll find tons of great software for your computer.
Since there are so many great computer programs out there, it's hard to resist the buying impulse.
However, before you start shelling out your hard earned money buying software for your computer, there are several things you should consider:
1. Why do I need this software?
2. Is there a free version that will work just as well?
3. What's the difference among freeware, shareware, free trials, open source, etc.?
Freeware is simply software that you can get for free. Sometimes it has advertising in it, and sometimes it doesn't. The downside of using freeware is that it might not be stable, or it contains advertising.
Shareware is where you get a full version of the software, and you get to try all of the features for a certain period of time. Then, if you want to keep it, you have to pay the fee.
Free trials allow you to try the software, but not all of the features are enabled, so you will have to upgrade to get everything to work.
Open Source is free software that has been developed by volunteer programmers and is freely available. You can even edit the source code if you like. The downside is that not all open source software is stable, and it can cause problems on your computer.
There are also other types of software, like donationware, or lite versions of the software. With lite versions, you get a working version of the software, but some of the features are disabled. Unlike a free trial, you can continue to use the lite version forever.
Below are five sites where you can get some great software for your computer.
Some of these sites are free. Others, you have to buy the software, but it's definitely worth the investment.
Freeware Home - http://www.freewarehome.com - This is absolutely one of the best websites on the internet. It contains over 7,000 programs that are all free. The programs are all full versions of the software, and there are tons of categories. If you can't find what you're looking for here, you'll be hard pressed to find it anywhere else.
Doug Knox - http://www.dougknox.com - This site is actually more of a site for scripts you can run on your computer. All of the scripts are designed to fix various computer problems you may be having. You'll also find information on different operating systems as well, so this is a good all around computer resource to help you solve your computer problems.
Snap and Pop - http://www.snapnpopdragon.com/ - This program isn't free, but I felt it was important to mention it.
This site offers a free ecourse to show you how to tweak your computer so that you can get better performance out of it. The software is especially good for anyone who is new to computers because it can help you maximize your resources, as well as fix any computer problems, and you don't need to be a computer geek to do it.
Webmaster Free - http://www.webmasterfree.com - If you are a webmaster, or you're considering building a website, this site is absolutely invaluable.
You'll find every possible tool you can imagine to help you build, upload, and promote your website. Although there are plenty of free trials and shareware located here, there's enough free software on this site to keep you browsing for days. This site is part of the iEntry Network, where you can find tons of information on just about anything, especially if it's related to business.
Jumbo - http://www.jumbo.com - This is one of the oldest software sites on the internet and contains thousands of programs. You can find all kinds of freeware, shareware, free trials, and other computer software to download. This site also offers software for just about any operating system. Part of the internet.com network.
There are tons of places on the internet to find free software. However, it's important that you use a reliable site to find it. Otherwise, you can end up with all kinds of spyware, adware, and malware on your computer, and it will cause you all kinds of problems.
Avoid all of that by surfing on reliable sites. These sites will keep you surfing for days, and you'll find tons of great software for your computer.
Project Management Software - Manage Your Vital Projects With The Right Software
Why purchase project management software? It will not increase the effectiveness of your project manager, only proper training, experience and a strong work ethic will do that. What it will do is to make a project manager more efficient and, as you know, efficiency is key when it comes to the proper management of your projects.
The use of project management software means that certain tasks are likely to be carried out with greater efficiency. The easy accomplishment and swift completion of a project requires effective communication with a project sponsor, the ability to make easy-to-follow assignments for other team members, and definition of the scope of a project, are all things that this convenient software can help you accomplish. You will be able to do these things with greater ease and in less time.
There is plenty of software on the market nowadays and deciding on the product that is the most suitable for your needs can be difficult. The prices of management software can vary drastically, so it's important that you choose a product that's tailored to your specific needs and without any unnecessary peripherals. It makes little sense to purchase a $20,000 software package when one that only costs $100 could have done the job.
If you need a software that is more suited to a smaller project, then there are many relatively inexpensive software packages available on the internet or in your local computer store. Programs such as Milestone Simplicity, TurboProject and Quick Gnatt may all be purchased for about $125.
These programs are great for small projects and it is easy to learn how to use them. Before buying this low-end software, try to ensure that it really does fulfill the company's needs and that they won't be taking on any larger projects in the foreseeable future as this will require a more sophisticated type of project management software.
If you plan on embarking on large projects or multiple project management then you will need more advanced software. Microsoft Project and Primavera Project Planner are two of the best known applications for dealing with larger projects. Stick to the better known software, as the likelihood that you'll be able to find someone who knows how to use it is often much higher. This will reduce the time it takes to train someone to use the project management software.
Many large companies have thrived for years without using a project management software. Don't think that investing big bucks in software will magically take your company straight to the top. However, software, properly used, can give your company an edge over competing companies who have not invested the necessary time that it takes to choose and implement a software that is suited to their particular needs.
Summary:
If used properly, project management software will give a company the edge over its competitors. Take care, because with all the different types of software available, choosing the right one for your company can be difficult.
The use of project management software means that certain tasks are likely to be carried out with greater efficiency. The easy accomplishment and swift completion of a project requires effective communication with a project sponsor, the ability to make easy-to-follow assignments for other team members, and definition of the scope of a project, are all things that this convenient software can help you accomplish. You will be able to do these things with greater ease and in less time.
There is plenty of software on the market nowadays and deciding on the product that is the most suitable for your needs can be difficult. The prices of management software can vary drastically, so it's important that you choose a product that's tailored to your specific needs and without any unnecessary peripherals. It makes little sense to purchase a $20,000 software package when one that only costs $100 could have done the job.
If you need a software that is more suited to a smaller project, then there are many relatively inexpensive software packages available on the internet or in your local computer store. Programs such as Milestone Simplicity, TurboProject and Quick Gnatt may all be purchased for about $125.
These programs are great for small projects and it is easy to learn how to use them. Before buying this low-end software, try to ensure that it really does fulfill the company's needs and that they won't be taking on any larger projects in the foreseeable future as this will require a more sophisticated type of project management software.
If you plan on embarking on large projects or multiple project management then you will need more advanced software. Microsoft Project and Primavera Project Planner are two of the best known applications for dealing with larger projects. Stick to the better known software, as the likelihood that you'll be able to find someone who knows how to use it is often much higher. This will reduce the time it takes to train someone to use the project management software.
Many large companies have thrived for years without using a project management software. Don't think that investing big bucks in software will magically take your company straight to the top. However, software, properly used, can give your company an edge over competing companies who have not invested the necessary time that it takes to choose and implement a software that is suited to their particular needs.
Summary:
If used properly, project management software will give a company the edge over its competitors. Take care, because with all the different types of software available, choosing the right one for your company can be difficult.
Saturday, April 17, 2010
What's New in Release 2010a
Release 2010a includes new features in MATLAB and Simulink, one new product, and updates and bug fixes to 85 other products. Subscribers to MathWorks Software Maintenance Service can download product updates. Beginning with R2010a, PolySpace products require activation. Visit the License Center to download products, activate software, and manage your license and user information.
New capabilities for the MATLAB product family include:
http://www.mathworks.com/products/new_products/latest_features.html
New capabilities for the MATLAB product family include:
- Additional multithreaded math functions and enhancements to file sharing, path management, and the desktop in MATLAB
- New System objects for stream processing in MATLAB, with over 140 supported algorithms in Video and Image Processing Blockset and Signal Processing Blockset
- Multicore support and performance enhancements for over 50 functions and expanded support for large images in Image Processing Toolbox
- New nonlinear solvers in Global Optimization Toolbox and Optimization Toolbox
- Ability to generate Simscape language equations from Symbolic Math Toolbox
- Stochastic approximation expectation-maximization (SAEM) and pharmacokinetic dosing schedules support in SimBiology
- Tunable parameter structures, triggered model blocks, and function call branching for large-scale modeling in Simulink
- Code generation support for Eclipse, Embedded Linux, and ARM processors in Embedded IDE Link and Target Support Package
- ISO 26262 certification for Real-Time Workshop Embedded Coder and PolySpace products in IEC Certification Kit
- DO-178B qualification support extended to model coverage in DO Qualification Kit
- Simulink PLC Coder, a new product for generating IEC 61131 structured text for PLCs and PACs
http://www.mathworks.com/products/new_products/latest_features.html
Corrosion - Prediction, Assessment and Material Characterization
Honeywell’s comprehensive set of corrosion software applications facilitates effective decision-making in the fields of corrosion and materials. These software products provide efficient and robust solutions to critical problems in corrosion, cracking and materials selection.
Our software offerings reflect over 20 years of corrosion expertise derived from our laboratory corrosion research benchmarked with actual field data and experience. Plant and consulting engineers have found tremendous value in our software products that aid in materials selection, corrosion rate prediction within pipelines and process equipment, and analysis of plant asset integrity and risk.
Additionally, Honeywell offers software solutions for corrosion prediction in pipelines and production systems, and provides comprehensive services supported by the CorrosionAnalyzer™ modeling framework.
Our corrosion software applications include:
Predict®-SourWater 2.0 - Assessment of corrosion and flow effects. Materials optimization and risk reduction for refinery sour water systems (e.g. REAC, strippers, etc.)
PredictPipe 3.0 - Facilitates Dry Gas Internal Corrosion Direct assessment (DG-ICDA NACE SP0206) for gas transmission pipeline systems.
Predict® 5.0 - Assessment and prediction of corrosion rates for steels exposed to corrosive oil and gas production environments.
Predict®-Amine - Prediction and assessment of corrosion in Rich Amine systems for material selection, increased throughput and process optimization.
Socrates® 9.0 - Provides comprehensive selection of corrosion-resistant alloys (CRA) for oil and gas production environments.
StrategyTM-A 4.0 - Provides assessment of sulfide stress cracking and hydrogen induced cracking in steels, and prioritization of inspection in oil and gas production environments.
StrategyTM-B 4.0 - Provides assessment of sulfide stress cracking and hydrogen induced cracking, and prioritization of inspection in steels in refinery sour water systems.
Risk-ITTM 2.0 - Provides risk and integrity analysis for plant equipment. Evaluates common forms of corrosion degradation.
CorrosionAnalyzer - Provides the ability to thermodynamically simulate and kinetically characterize corrosion in most industrial process environments; including interactions of over 2,000 chemical environments and alloy combinations.
Source : http://hpsweb.honeywell.com/Cultures/en-US/default.htm
Socrates® 9.0
Socrates is a comprehensive material selection tool for oil and gas applications that provides access to the material decision logic of a domain expert, as well as pooled experience and expertise from a distinguished group of operating companies, equipment manufacturers and corrosion resistant alloy (CRA) material suppliers. Socrates enables a methodology for making consistent, optimized material selection choices based on real engineering corrosion data and rigorous materials engineering guidelines. 
Socrates 9.0 Interface
- Provides a significant reduction in time spent assessing corrosion using the latest technical data available, which leads to a means for cost-effective automated solutions
- Provides a cost analysis module facilitating comparison of project cost when using different materials
- Easy to use graphical interface in a Windows environment makes using Socrates simple and intuitive
- Incorporates latest NACE MR0175 / ISO15156 CRA Rules for cracking in sour environment
Socrates 9.0 Interface
Socrates 9.0: Multiple Environment/Application Analysis
Socrates 9.0 extends the functionality of Socrates 8.0 with new data, enhanced capabilities and a Microsoft Vista-based interface. Enhancements include:
- New pH prediction module based on ionic analysis for accurate pH computation
- Adaptive rules module facilitating modification of system rules to accommodate company-specific data and requirements
- Extensive new data on the most commonly used CRA materials
- Integrated selection rules for production environments, as well as acidizing, completion fluids and injected water systems
- Advanced alloy analysis, including ability to create groups of user-specific alloys
- Advanced user interface to facilitate concurrent analysis of multiple environments and alloys
- Enhanced safe use limits module for stainless steel
Predict®Pipe 3.0
PredictPipe 3.0 addresses one of the most significant issues in pipeline corrosion evaluation - assessment of corrosion rates in dry gas transmission pipeline systems. These pipelines are exposed to corrosive environments due to water accumulation. The software package is instrumental in enabling easy and accurate Dry Gas ICDA procedures.
PredictPipe 3.0 is a by-product of years of corrosion research and modeling and provides access to a comprehensive knowledge base of corrosion decision-making. It is an easy-to-use graphical tool that integrates the effects of a complex set of environmental parameters to provide a corrosion rate assessment based on extensive literature data, lab testing and field experience.
PredictPipe 3.0: Identification of critical segments Gas transmission pipelines under normal operating conditions carry under saturated gas processed by upstream dehydrating units. These pipelines are generally operated with no protection or inhibition and rely on the performance of the dehydrating units to process gas within acceptable standards. It is not unusual for some instability or other process perturbations to result in near saturated gas or some liquid water carryover in such pipelines. These upsets lead to water accumulation in some parts of the pipeline further downstream or cause water condensation due to pressure and temperature changes along the length of the pipeline. Internal corrosion in pipelines is difficult to locate and measure due to a number of factors. Most internal corrosion detection measures require access to the inside of a pipe for inline inspection and visualization tools such as inline pigs with substantial portions of many pipelines not configured to allow inline inspection. The ICDA approach to evaluate the likelihood of water accumulation and internal corrosion and identify critical zones, can enhance the actual measurement techniques and ensure safe operation of natural gas pipelines. One identified by PredictPipe 3.0, a detailed inspection of critical locations where water would most likely accumulate provides the basis that integrity decisions for the remainder of the line can be made. If on inspection no corrosion is found, it is concluded that downstream corrosion is unlikely.Internal Corrosion Direct Assessment (ICDA)
Benefits
Source : http://hpsweb.honeywell.com/HPSWebII/SiteNavigator.aspx?Definition=InterCorr
Predict® 5.0
Predict software is a practical, user-friendly tool to predict corrosion rates of carbon steels in production environments containing CO2 and/or H2S.
Based on user input data, Predict captures the effects of key critical environmental and operating parameters that influence corrosivity and characterizes the effects of these parameters on corrosion rates.
Predict allows a company or site to evaluate the corrosion problem consistently and with high accuracy and repeatability. Predict is built upon a multi-faceted foundation of corrosion knowledge, including hundreds of hours of proprietary, in-house laboratory data, extensive literature information, accurate multiphase flow modeling and the industry’s most comprehensive database on steel corrosion rates.
Predict 5.0 User Interface
Predict® 5.0 is the latest upgrade with new features and Microsoft Vista compatibility. Enhancements include:
Source : http://hpsweb.honeywell.com/HPSWebII/SiteNavigator.aspx?Definition=InterCorr
Thursday, April 15, 2010
Cahn-Hilliard Phase Decomposition
Microscale and Nanoscale Applications :
Cahn-Hilliard phase decomposition can model such disparate phenomena as:
* Tin-Lead solder aging
* Void lattice formation in irradiated semiconductors
* Self-assembly of thin film patterns
Free Energy Formulation :
Cahn-Hilliard systems model material separation and interface evolution by racking flow driven by configurational and interfacial free energy minimization.
Cahn-Hilliard Equation :
Adding a material-dependent mobility coefficient defines the concentration flux.
Weak Cahn-Hilliard Equation :
Taking a weighted residual and integrating by parts twice,
Gives a functional defined on
in case of constant Mc.
Phase Separation :
* Random perturbations in initial conditions rapidly segregate into two distinct phases, divided by a labyrinth of sharp interfaces.
* Rapid anti-diffusionary process.
Spinodal Decomposition :
* Over long timescales, single-phase regions coalesce.
* Motion into curvature vector resembles surface tension.
* Patterning may occur when additional stress, surface tropisms are applied.
3D Phase Separation :
* Qualitatively similar.
* Topologically very different.
* Much more computationally intensive.
Thin Film Patterning :
* Electrostatic or chemical surface treatment attracts one material component preferentially.
* A spatially varying bias is added to the configurational free energy.
Effects of Bias Strength :
Low surface potential energy biases are overwhelmed by random noise.
Higher surface potential energy biases form patterns with decreasing defect density
Source : www.cfdlab.ae.utexas.edu/~roystgnr/usnccm9.pdf
Cahn-Hilliard phase decomposition can model such disparate phenomena as:
* Tin-Lead solder aging
* Void lattice formation in irradiated semiconductors
* Self-assembly of thin film patterns
Free Energy Formulation :
Cahn-Hilliard systems model material separation and interface evolution by racking flow driven by configurational and interfacial free energy minimization.
Cahn-Hilliard Equation :
Adding a material-dependent mobility coefficient defines the concentration flux.
Weak Cahn-Hilliard Equation :
Taking a weighted residual and integrating by parts twice,
Gives a functional defined on
in case of constant Mc.Phase Separation :
* Random perturbations in initial conditions rapidly segregate into two distinct phases, divided by a labyrinth of sharp interfaces.
* Rapid anti-diffusionary process.
Spinodal Decomposition :
* Over long timescales, single-phase regions coalesce.
* Motion into curvature vector resembles surface tension.
* Patterning may occur when additional stress, surface tropisms are applied.
3D Phase Separation :
* Qualitatively similar.
* Topologically very different.
* Much more computationally intensive.
Thin Film Patterning :* Electrostatic or chemical surface treatment attracts one material component preferentially.
* A spatially varying bias is added to the configurational free energy.
Effects of Bias Strength :
Low surface potential energy biases are overwhelmed by random noise.
Higher surface potential energy biases form patterns with decreasing defect density
Source : www.cfdlab.ae.utexas.edu/~roystgnr/usnccm9.pdf
Wednesday, April 14, 2010
Modelling and Simulation in Materials
Simulation is the imitation of some real thing, state of affairs, or process. The act of simulating something generally entails representing certain key characteristics or behaviours of a selected physical or abstract system.
Simulation is used in many contexts, including the modeling of natural systems or human systems in order to gain insight into their functioning. Other contexts include simulation of technology for performance optimization, safety engineering, testing, training and education. Simulation can be used to show the eventual real effects of alternative conditions and courses of action.
Key issues in simulation include acquisition of valid source information about the relevant selection of key characteristics and behaviours, the use of simplifying approximations and assumptions within the simulation, and fidelity and validity of the simulation outcomes.
A computer simulation (or "sim") is an attempt to model a real-life or hypothetical situation on a computer so that it can be studied to see how the system works. By changing variables, predictions may be made about the behaviour of the system.
Computer simulation has become a useful part of modeling many natural systems in physics, chemistry and biology, and human systems in economics and social science (the computational sociology) as well as in engineering to gain insight into the operation of those systems. A good example of the usefulness of using computers to simulate can be found in the field of network traffic simulation. In such simulations, the model behaviour will change each simulation according to the set of initial parameters assumed for the environment.
Traditionally, the formal modeling of systems has been via a mathematical model, which attempts to find analytical solutions enabling the prediction of the behaviour of the system from a set of parameters and initial conditions. Computer simulation is often used as an adjunct to, or substitution for, modeling systems for which simple closed form analytic solutions are not possible. There are many different types of computer simulation, the common feature they all share is the attempt to generate a sample of representative scenarios for a model in which a complete enumeration of all possible states would be prohibitive or impossible.
Several software packages exist for running computer-based simulation modeling (e.g. Monte Carlo simulation, stochastic modeling, multimethod modeling AnyLogic) that makes the modeling almost effortless.
Modern usage of the term "computer simulation" may encompass virtually any computer-based representation.
Material is synonymous with substance, and is anything made of matter – hydrogen, air and water are all examples of materials. Sometimes the term "material" is used more narrowly to refer to substances or components with certain physical properties that are used as inputs to production or manufacturing. In this sense, materials are the parts required to make something else, from buildings and art to stars and computers.
A material can be anything: a finished product in its own right or an unprocessed raw material. Raw materials are first extracted or harvested from the earth and divided into a form that can be easily transported and stored, then processed to produce semi-finished materials. These can be input into a new cycle of production and finishing processes to create finished materials, ready for distribution, construction, and consumption.
An example of a raw material is cotton, which is harvested from plants. Cotton can be processed into thread (also considered a raw material), which can then be woven into cloth, a semi-finished material. Cutting and sewing the fabric turns it into a garment, which is a finished product. Steelmaking is another example – raw materials in the form of ore are mined, refined and processed into steel, a semi-finished material. Steel is then used as an input in many other industries to make finished products. In chemistry materials can be divided into two metals and non-metals.
Materials science or materials engineering is an interdisciplinary field involving the properties of matter and its applications to various areas of science and engineering. This science investigates the relationship between the structure of materials at atomic or molecular scales and their macroscopic properties. It includes elements of applied physics and chemistry. With significant media attention focused on nanoscience and nanotechnology in recent years, materials science has been propelled to the forefront at many universities. It is also an important part of forensic engineering and failure analysis. The material science also deals with fundamental properties and characteristics of material.
Modelling and Simulation in Materials Science and Engineering is a peer-reviewed scientific journal covering properties, structure and behavior of all classes of materials at scales from the atomic to the macroscopic. This includes electronic structure/properties of materials determined by ab initio and/or semi-empirical methods, atomic level properties of materials, microstructural level phenomena, continuum-level modelling pertaining to material behavior and modelling behavior in service.
Simulation is used in many contexts, including the modeling of natural systems or human systems in order to gain insight into their functioning. Other contexts include simulation of technology for performance optimization, safety engineering, testing, training and education. Simulation can be used to show the eventual real effects of alternative conditions and courses of action.
Key issues in simulation include acquisition of valid source information about the relevant selection of key characteristics and behaviours, the use of simplifying approximations and assumptions within the simulation, and fidelity and validity of the simulation outcomes.
A computer simulation (or "sim") is an attempt to model a real-life or hypothetical situation on a computer so that it can be studied to see how the system works. By changing variables, predictions may be made about the behaviour of the system.
Computer simulation has become a useful part of modeling many natural systems in physics, chemistry and biology, and human systems in economics and social science (the computational sociology) as well as in engineering to gain insight into the operation of those systems. A good example of the usefulness of using computers to simulate can be found in the field of network traffic simulation. In such simulations, the model behaviour will change each simulation according to the set of initial parameters assumed for the environment.
Traditionally, the formal modeling of systems has been via a mathematical model, which attempts to find analytical solutions enabling the prediction of the behaviour of the system from a set of parameters and initial conditions. Computer simulation is often used as an adjunct to, or substitution for, modeling systems for which simple closed form analytic solutions are not possible. There are many different types of computer simulation, the common feature they all share is the attempt to generate a sample of representative scenarios for a model in which a complete enumeration of all possible states would be prohibitive or impossible.
Several software packages exist for running computer-based simulation modeling (e.g. Monte Carlo simulation, stochastic modeling, multimethod modeling AnyLogic) that makes the modeling almost effortless.
Modern usage of the term "computer simulation" may encompass virtually any computer-based representation.
Material is synonymous with substance, and is anything made of matter – hydrogen, air and water are all examples of materials. Sometimes the term "material" is used more narrowly to refer to substances or components with certain physical properties that are used as inputs to production or manufacturing. In this sense, materials are the parts required to make something else, from buildings and art to stars and computers.
A material can be anything: a finished product in its own right or an unprocessed raw material. Raw materials are first extracted or harvested from the earth and divided into a form that can be easily transported and stored, then processed to produce semi-finished materials. These can be input into a new cycle of production and finishing processes to create finished materials, ready for distribution, construction, and consumption.
An example of a raw material is cotton, which is harvested from plants. Cotton can be processed into thread (also considered a raw material), which can then be woven into cloth, a semi-finished material. Cutting and sewing the fabric turns it into a garment, which is a finished product. Steelmaking is another example – raw materials in the form of ore are mined, refined and processed into steel, a semi-finished material. Steel is then used as an input in many other industries to make finished products. In chemistry materials can be divided into two metals and non-metals.
Materials science or materials engineering is an interdisciplinary field involving the properties of matter and its applications to various areas of science and engineering. This science investigates the relationship between the structure of materials at atomic or molecular scales and their macroscopic properties. It includes elements of applied physics and chemistry. With significant media attention focused on nanoscience and nanotechnology in recent years, materials science has been propelled to the forefront at many universities. It is also an important part of forensic engineering and failure analysis. The material science also deals with fundamental properties and characteristics of material.
Modelling and Simulation in Materials Science and Engineering is a peer-reviewed scientific journal covering properties, structure and behavior of all classes of materials at scales from the atomic to the macroscopic. This includes electronic structure/properties of materials determined by ab initio and/or semi-empirical methods, atomic level properties of materials, microstructural level phenomena, continuum-level modelling pertaining to material behavior and modelling behavior in service.
Subscribe to:
Posts (Atom)
