December 4, 2020

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Multiscale Materials Modelling

Multiscale Materials Modelling
Author : Z. X. Guo
Publisher : Elsevier
Release Date : 2007-05-31
Category : Technology & Engineering
Total pages :312
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Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications. The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling is a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design. Reviews the principles and applications of mult-scale materials modelling Covers themes such as dislocation behaviour and plasticity and the modelling of structural materials Examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling

Multiscale Materials Modeling

Multiscale Materials Modeling
Author : Siegfried Schmauder,Immanuel Schäfer
Publisher : Walter de Gruyter GmbH & Co KG
Release Date : 2016-08-22
Category : Science
Total pages :346
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This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling. Contents: Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects Linking nanoscale and macroscale Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations Multiscale modeling predictions of age hardening curves in Al-Cu alloys Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries Product Properties of a two-phase magneto-electric composite Part II: Multiscale simulations of plastic deformation and fracture Niobium/alumina bicrystal interface fracture Atomistically informed crystal plasticity model for body-centred cubic iron FE2AT ・ finite element informed atomistic simulations Multiscale fatigue crack growth modeling for welded stiffened panels Molecular dynamics study on low temperature brittleness in tungsten single crystals Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites Multiscale Modeling of Nano-Biosensors Finite strain compressive behaviour of CNT/epoxy nanocomposites Peptide・zinc oxide interaction

New Frontiers in Multiscale Modelling of Advanced Materials

New Frontiers in Multiscale Modelling of Advanced Materials
Author : Simone Taioli,Maurizio Dapor,Nicola M. Pugno
Publisher : Frontiers Media SA
Release Date : 2016-01-22
Category :
Total pages :129
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Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Multiscale Materials Modeling for Nanomechanics

Multiscale Materials Modeling for Nanomechanics
Author : Christopher R. Weinberger,Garritt J. Tucker
Publisher : Springer
Release Date : 2016-08-30
Category : Technology & Engineering
Total pages :547
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This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.

Multiscale Materials Modelling Using DFT-based Localization Relationships

Multiscale Materials Modelling Using DFT-based Localization Relationships
Author : Anshuman Singh Bhadauria
Publisher : Unknown
Release Date : 2016
Category :
Total pages :129
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Multiscale modelling is the need of the hour, and this can be con rmed from the fact that several initiatives have been taken to bring together researchers from di erent domains by formation of projects like Integrated Computational Materials Engineering (ICME), Materials Genome Initiative etc. This increasing interest can be pertained to the fact that there is a need for creating new materials with desired e ective properties for new applications like Additive Manufacturing (AM). Until recently the discovery of new materials was based on empirical methods of trial and error, which takes roughly twenty years to bring in a new material into manufacturing. Therefore, it is important to address these two difficult problems. First is Multiscale modelling, which enables communication between constitutive models at di erent length scales, thus improving accuracy of failure predictions and second, is Accelerated Material Discovery, which can reduce the development time of new materials with desired properties. As it turns out, both these problems are closely related and can be addressed simultaneously. The key to success in both these areas is making problem solving data driven, i.e., convertint these non-trivial problems Big Data friendly so that the techniques from Data Science can be used for building scalable, robust and computationally efficient solutions. Another good reason to use data science for these problems is that it makes data reusable i.e., data that was produced during solution of one problem can be used in solving another problem by establishing syntactic material databases, where not only e ective properties but also the internal structure of the materials is readily available. In this thesis, one such mathematical framework called Material Knowledge Systems (MKS) is used to solve both the above mentioned problems. MKS is derived from the Statistical Continuum theories, and has been successfully implemented in real world problems. MKS is based on the rigorous mathematical framework called Material Sensitive Design (MSD), which is further derived from generalized homogenization theories. MSD provides a rigorous methodology for quanti cation of the internal structure of the material, which spans multiple length and time scales with a microstructure function . But the biggest achievement of MSD is that it allows us to incorporate the n-point spatial correlations in the homogenization theories. Also it addresses the problem of localization, which has been under addressed as compared to the homogenization problems. The use of n-point spatial correlations to represent the internal structure of the material is very rigorous, thus, the amount of structural information is substantially large. To deal with this increased amount of information, dimensional reduction techniques like Principal Component Analysis, Naive Bayes etc., from the eld of Data Science. Using these techniques, the material designer can not only visualize the structure-property linkages, but can also begin to solve the inverse problem of creating microstructures using hybrid processes which exhibit the desired effective properties. These linkages are also called Property-Structure-Process (PSP) relations. Establishment of such PSP linkages will change the way how materials are created in the future.

Multiscale Modelling of Advanced Materials

Multiscale Modelling of Advanced Materials
Author : Runa Kumari,Balamati Choudhury
Publisher : Springer Nature
Release Date : 2020-02-08
Category : Technology & Engineering
Total pages :199
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This volume covers the recent advances and research on the modeling and simulation of materials. The primary aim is to take the reader through the mathematical analysis to the theories of electricity and magnetism using multiscale modelling, covering a variety of numerical methods such as finite difference time domain (FDTD), finite element method (FEM) and method of moments. The book also introduces the multiscale Green’s function (GF) method for static and dynamic modelling and simulation results of modern advanced nanomaterials, particularly the two-dimensional (2D) materials. This book will be of interest to researchers and industry professionals working on advanced materials.

Modeling Materials

Modeling Materials
Author : Ellad B. Tadmor,Ronald E. Miller
Publisher : Cambridge University Press
Release Date : 2011-11-24
Category : Science
Total pages :129
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Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.

Uncertainty Quantification in Multiscale Materials Modeling

Uncertainty Quantification in Multiscale Materials Modeling
Author : Yan Wang,David L. McDowell
Publisher : Woodhead Publishing Limited
Release Date : 2020-03-12
Category : Materials science
Total pages :900
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Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.

Multi-Scale Modelling of Composite Material Systems

Multi-Scale Modelling of Composite Material Systems
Author : C Soutis,P W R Beaumont
Publisher : Elsevier
Release Date : 2005-08-29
Category : Technology & Engineering
Total pages :528
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One of the most important and exciting areas of composites research is the development of modelling techniques to predict the response of composite materials to different types of stress. Predictive modelling provides the opportunity both to understand better how composites behave in different conditions and to develop materials with enhanced performance for particular industrial applications. Multi-scale modelling of composite material systems summarises the key research in this area and its implications for industry. The book covers modelling approaches ranging from the micron to the metre in scale, and from the single fibre to complete composite structures. Individual chapters discuss a variety of material types from laminates and fibre-reinforced composites to monolithic and sandwich composites. They also analyse a range of types of stress and stress response from fracture and impact to wear and fatigue. Authors also discuss the strengths and weaknesses of particular models. With its distinguished editors and international team of contributors, Multi-scale modelling of composite material systems is a standard reference for both academics and manufacturers in such areas as aerospace, automotive and civil engineering. Extensive coverage of this important and exciting area of composites research Understand how composites behave in different circumstances Compiled by an expert panel of authors and editors

Multiscale Modeling in Solid Mechanics

Multiscale Modeling in Solid Mechanics
Author : Ugo Galvanetto,M. H. Ferri Aliabadi
Publisher : Imperial College Press
Release Date : 2010
Category : Continuum mechanics
Total pages :334
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This unique volume presents the state of the art in the field of multiscale modeling in solid mechanics, with particular emphasis on computational approaches. For the first time, contributions from both leading experts in the field and younger promising researchers are combined to give a comprehensive description of the recently proposed techniques and the engineering problems tackled using these techniques. The book begins with a detailed introduction to the theories on which different multiscale approaches are based, with regards to linear Homogenisation as well as various nonlinear approaches. It then presents advanced applications of multiscale approaches applied to nonlinear mechanical problems. Finally, the novel topic of materials with self-similar structure is discussed. Sample Chapter(s). Chapter 1: Computational Homogenisation for Non-Linear Heterogeneous Solids (808 KB). Contents: Computational Homogenisation for Non-Linear Heterogeneous Solids (V G Kouznetsova et al.); Two-Scale Asymptotic Homogenisation-Based Finite Element Analysis of Composite Materials (Q-Z Xiao & B L Karihaloo); Multi-Scale Boundary Element Modelling of Material Degradation and Fracture (G K Sfantos & M H Aliabadi); Non-Uniform Transformation Field Analysis: A Reduced Model for Multiscale Non-Linear Problems in Solid Mechanics (J-C Michel & P Suquet); Multiscale Approach for the Thermomechanical Analysis of Hierarchical Structures (M J Lefik et al.); Recent Advances in Masonry Modelling: Micro-Modelling and Homogenisation (P B Louren o); Mechanics of Materials with Self-Similar Hierarchical Microstructure (R C Picu & M A Soare). Readership: Researchers and academics in the field of heterogeneous materials and mechanical engineering; professionals in aeronautical engineering and materials science.

Multiscale Modeling and Analysis for Materials Simulation

Multiscale Modeling and Analysis for Materials Simulation
Author : Weizhu Bao,Qiang Du
Publisher : World Scientific
Release Date : 2012
Category : Mathematics
Total pages :272
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The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.

Multiscale Modelling and Simulation

Multiscale Modelling and Simulation
Author : Sabine Attinger,Petros Koumoutsakos
Publisher : Springer Science & Business Media
Release Date : 2012-12-06
Category : Mathematics
Total pages :284
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In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Universit della Svizzera Italiana (USI), organized the Summer School in "Multiscale Modelling and Simulation" in Lugano, Switzerland. This summer school brought together experts in different disciplines to exchange ideas on how to link methodologies on different scales. Relevant examples of practical interest include: structural analysis of materials, flow through porous media, turbulent transport in high Reynolds number flows, large-scale molecular dynamic simulations, ab-initio physics and chemistry, and a multitude of others. Though multiple scale models are not new, the topic has recently taken on a new sense of urgency. A number of hybrid approaches are now created in which ideas coming from distinct disciplines or modelling approaches are unified to produce new and computationally efficient techniques.

Multiscale Modeling and Simulation of Composite Materials and Structures

Multiscale Modeling and Simulation of Composite Materials and Structures
Author : Young Kwon,David H. Allen,Ramesh R. Talreja
Publisher : Springer Science & Business Media
Release Date : 2007-12-04
Category : Technology & Engineering
Total pages :630
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This book presents the state-of-the-art in multiscale modeling and simulation techniques for composite materials and structures. It focuses on the structural and functional properties of engineering composites and the sustainable high performance of components and structures. The multiscale techniques can be also applied to nanocomposites which are important application areas in nanotechnology. There are few books available on this topic.

Multiscale Modelling of Materials

Multiscale Modelling of Materials
Author : Anonim
Publisher : Unknown
Release Date : 2000
Category : Manufacturing processes
Total pages :129
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Handbook of Materials Modeling

Handbook of Materials Modeling
Author : Sidney Yip
Publisher : Springer Science & Business Media
Release Date : 2007-11-17
Category : Science
Total pages :2965
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The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.