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Multiscale Materials Modelling

Multiscale Materials Modelling
  • Author : Z. X. Guo
  • Publisher :Unknown
  • Release Date :2007-05-31
  • Total pages :312
  • ISBN : 9781845693374
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Summary : 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

Materials Modelling

Materials Modelling
  • Author : English
  • Publisher :Unknown
  • Release Date :2020-11-26
  • Total pages :240
  • ISBN : 9781000112269
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Summary : In Materials Modelling: From Theory to Technology, a distinguished collection of authors has been assembled to celebrate the 60th birthday of Dr. R. Bullough, FRS and honor his contribution to the subject over the past 40 years. The volume explores subjects that have implications in a wide range of technologies, focusing on how basic research can be applied to real problems in science and engineering. Linking theory and technology, the book progresses from the theoretical background to current and future practical applications of modeling. Accessible to a diverse audience, it requires little specialist knowledge beyond a physics degree. The book is useful reading for postgraduates and researchers in condensed matter, nuclear engineering, and physical metallurgy, in addition to workers in R&D laboratories and the high technology industry.

Materials Modelling Using Density Functional Theory

Materials Modelling Using Density Functional Theory
  • Author : Feliciano Giustino
  • Publisher :Unknown
  • Release Date :2014
  • Total pages :286
  • ISBN : 9780199662449
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Summary : This book is an introduction to the modern quantum theory of materials, and primarily addresses seniorundergraduate and first-year graduate students in the physical and chemical sciences, and in materials science and engineering. As advanced materials are becoming ubiquitous in every aspect of our life, the use of quantum mechanics to understand, predict, and design new materials is experiencing a fast-paced growth in academic and industrial research.Following this trend, atomistic materials modelling is becoming an important component of undergraduate science education, however there is still no book on this subject written primarily for anundergraduate readership. The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using quantum mechanics.

Data Technology in Materials Modelling

Data Technology in Materials Modelling
  • Author : Martin Thomas Horsch,Silvia Chiacchiera,Welchy Leite Cavalcanti,Björn Schembera
  • Publisher :Unknown
  • Release Date :2021-03-20
  • Total pages :92
  • ISBN : 3030685969
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Summary : This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way. The Virtual Materials Marketplace (VIMMP), which is open to all service providers and clients, provides a framework for offering and accessing such services, assisting the uptake of novel modelling and simulation approaches by SMEs, consultants, and industrial R&D end users. Semantic assets presented include the EngMeta metadata schema for research data infrastructures in simulation-based engineering and the collection of ontologies from VIMMP, including the ontology for simulation, modelling, and optimization (OSMO) and the VIMMP software ontology (VISO).

Modelling of Engineering Materials

Modelling of Engineering Materials
  • Author : C. Lakshmana Rao,Abhijit P. Deshpande
  • Publisher :Unknown
  • Release Date :2014-07-02
  • Total pages :264
  • ISBN : 9781118919583
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Summary : Modelling of Engineering Materials presents the background that is necessary to understand the mathematical models that govern the mechanical response of engineering materials. The book provides the basics of continuum mechanics and helps the reader to use them to understand the development of nonlinear material response of solids and fluids used in engineering applications. A brief review of simplistic and linear models used to characterize the mechanical response of materials is presented. This is followed by a description of models that characterize the nonlinear response of solids and fluids from first principles. Emphasis is given to popular models that characterize the nonlinear response of materials. The book also presents case studies of materials, where a comprehensive discussion of material characterization, experimental techniques and constitutive model development, is presented. Common principles that govern material response of both solids and fluids within a unified framework are outlined. Mechanical response in the presence of non-mechanical fields such as thermal and electrical fields applied to special materials such as shape memory materials and piezoelectric materials is also explained within the same framework.

Introduction to Materials Modelling

Introduction to Materials Modelling
  • Author : Zoe Barber
  • Publisher :Unknown
  • Release Date :2005
  • Total pages :165
  • ISBN : STANFORD:36105114105591
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Summary : Introduction to materials modelling describes the use of computer simulation for the prediction and understanding of the structure and properties of materials. It has been based upon the Materials Modelling Masters course given at the Department of Materials Science and Metallurgy, University of Cambridge, UK, which is aimed particularly at graduate students with a background in any of the physical sciences.

Frontiers in Materials Modelling and Design

Frontiers in Materials Modelling and Design
  • Author : Vijay Kumar,Surajit Sengupta,Baldev Raj
  • Publisher :Unknown
  • Release Date :2012-12-06
  • Total pages :446
  • ISBN : 9783642804786
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Summary : It is about fifteen years since we started hearing about Computational Ma terials Science and Materials Modelling and Design. Fifteen years is a long time and all of us realise that the use of computational methods in the design of materials has not been rapid enough. We also know the reasons for this. Mate rials properties are not dependent on a single phenomenon. The properties of materials cover a wide range from electronic, thermal, mechanical to chemical and electro-chemical. Each of these class of properties depend on specific phe nomenon that takes place at different scales or levels of length from sub atomic to visible length levels. The energies controlling the phenomena also varies widely from a fraction of an electron volt to many joules. The complexity of materials are such that while models and methods for treating individual phenomenon have been perfected, incorporating them into a single programme taking into account the synergism is a formidable task. Two specific areas where the progress has been very rapid and substantive are prediction of phase stability and phase diagrams and embrittlement of steels by metalloids. The first three sections of the book contain papers which review the theoreti cal principles underlying materials modeling and simulations and show how they can be applied to the problems just mentioned. There is now a strong interest in designing new materials starting from nanoparticles and clusters.

Sport Materials, Modelling and Simulation

Sport Materials, Modelling and Simulation
  • Author : Yan Wen Wu
  • Publisher :Unknown
  • Release Date :2011-02-12
  • Total pages :856
  • ISBN : 9783038135838
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Summary : Volume is indexed by Thomson Reuters CPCI-S (WoS). The goal of this special collection, with its more than 153 peer-reviewed papers,.was to provide a forum within which researchers, educators, engineers, and government officials involved in the general areas of Sports Materials, Modeling and Simulation could disseminate their latest research results and exchange views on future research directions to be taken in these fields.

Advanced Materials Modelling for Structures

Advanced Materials Modelling for Structures
  • Author : Holm Altenbach,Serge Kruch
  • Publisher :Unknown
  • Release Date :2013-02-05
  • Total pages :361
  • ISBN : 9783642351679
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Summary : This volume presents the major outcome of the IUTAM symposium on “Advanced Materials Modeling for Structures”. It discusses advances in high temperature materials research, and also to provides a discussion the new horizon of this fundamental field of applied mechanics. The topics cover a large domain of research but place a particular emphasis on multiscale approaches at several length scales applied to non linear and heterogeneous materials. Discussions of new approaches are emphasised from various related disciplines, including metal physics, micromechanics, mathematical and computational mechanics.

Drying of Polymeric and Solid Materials

Drying of Polymeric and Solid Materials
  • Author : Jean-Maurice Vergnaud
  • Publisher :Unknown
  • Release Date :2012-12-06
  • Total pages :336
  • ISBN : 9781447119548
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Summary : Drying of Polymeric and Solid Materials shows for the first time how the process of drying can be enhanced by combining mathematical and numerical models with experiments. The main advantages of this method are a significant saving of time and money. Numerical modelling can predict the kinetics of drying and the profiles of liquid concentration through the solid. This helps in the selection of optimal operational conditions. The simulation of the process is also crucial in the assessment of diffusity and the rate of evaporation.

Handbook of Materials Modeling

Handbook of Materials Modeling
  • Author : Sidney Yip
  • Publisher :Unknown
  • Release Date :2007-11-17
  • Total pages :2965
  • ISBN : 9781402032868
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Summary : 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.

Materials Modelling

Materials Modelling
  • Author : English
  • Publisher :Unknown
  • Release Date :2020-11-26
  • Total pages :240
  • ISBN : 9781000157079
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Summary : In Materials Modelling: From Theory to Technology, a distinguished collection of authors has been assembled to celebrate the 60th birthday of Dr. R. Bullough, FRS and honor his contribution to the subject over the past 40 years. The volume explores subjects that have implications in a wide range of technologies, focusing on how basic research can be applied to real problems in science and engineering. Linking theory and technology, the book progresses from the theoretical background to current and future practical applications of modeling. Accessible to a diverse audience, it requires little specialist knowledge beyond a physics degree. The book is useful reading for postgraduates and researchers in condensed matter, nuclear engineering, and physical metallurgy, in addition to workers in R&D laboratories and the high technology industry.

Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures

Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures
  • Author : Eui-Hyeok Yang,Dibakar Datta,Junjun Ding,Grzegorz Hader
  • Publisher :Unknown
  • Release Date :2020-06-19
  • Total pages :534
  • ISBN : 9780128184769
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Summary : Synthesis, Modelling and Characterization of 2D Materials and Their Heterostructures provides a detailed discussion on the multiscale computational approach surrounding atomic, molecular and atomic-informed continuum models. In addition to a detailed theoretical description, this book provides example problems, sample code/script, and a discussion on how theoretical analysis provides insight into optimal experimental design. Furthermore, the book addresses the growth mechanism of these 2D materials, the formation of defects, and different lattice mismatch and interlayer interactions. Sections cover direct band gap, Raman scattering, extraordinary strong light matter interaction, layer dependent photoluminescence, and other physical properties. Explains multiscale computational techniques, from atomic to continuum scale, covering different time and length scales Provides fundamental theoretical insights, example problems, sample code and exercise problems Outlines major characterization and synthesis methods for different types of 2D materials

Modeling Materials

Modeling Materials
  • Author : Ellad B. Tadmor,Ronald E. Miller
  • Publisher :Unknown
  • Release Date :2011-11-24
  • Total pages :229
  • ISBN : 9781139500654
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Summary : 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.

Fundamentals of Materials Modelling for Metals Processing Technologies

Fundamentals of Materials Modelling for Metals Processing Technologies
  • Author : Jianguo Lin
  • Publisher :Unknown
  • Release Date :2015-03-24
  • Total pages :540
  • ISBN : 9781783264995
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Summary : This book provides a comprehensive introduction to the unique theory developed over years of research on materials and process modelling and its application in metal forming technologies. It starts with the introduction of fundamental theories on the mechanics of materials, computational mechanics and the formulation of unified constitutive equations. Particular attention is paid to elastic–plastic formulations for cold metal forming and unified elastic–viscoplastic constitutive equations for warm/hot metals processing. Damage in metal forming and numerical techniques to solve and determine the unified constitutive equations are also detailed. Examples are given for the application of the unified theories to solve practical problems encountered in metal forming processes. This is particularly useful to predict microstructure evolution in warm/hot metal forming processes. Crystal plasticity theories and modelling techniques with their applications in micro-forming are also introduced in the book. The book is self-contained and unified in presentation. The explanations are highlighted to capture the interest of curious readers and complete enough to provide the necessary background material to further explore/develop new theories and applications.

Finite Element Modelling of Composite Materials and Structures

Finite Element Modelling of Composite Materials and Structures
  • Author : F L Matthews,G A O Davies,D Hitchings,C Soutis
  • Publisher :Unknown
  • Release Date :2000-10-27
  • Total pages :224
  • ISBN : 9781855738928
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Summary : Finite element modelling of composite materials and structures provides an introduction to a technique which is increasingly being used as an analytical tool for composite materials. The text is presented in four parts: Part one sets the scene and reviews the fundamentals of composite materials together with the basic nature of FRP and its constituents. Two-dimensional stress-strain is covered, as is laminated plated theory and its limitations. Part two reviews the basic principles of FE analysis, starting with underlying theoretical issues and going on to show how elements are derived, a model is generated and results are processed. Part three builds on the basics of FE analysis and considers the particular issues that arise in applying finite elements to composites, especially to the layered nature of the material. Part four deals with the application of FE to FRP composites, presenting analytical models alongside FE representations. Specific issues addressed include interlaminar stresses, fracture delamination, joints and fatigue. This book is invaluable for students of materials science and engineering, and for engineers and others wishing to expand their knowledge of structural analysis. Covers important work on finite element analysis of composite material performance Based on material developed for an MSc course at Imperial College, London, UK Covers particular problems such as holes, free edges with FE results compared with experimental data and classical analysis

Data Technology in Materials Modelling

Data Technology in Materials Modelling
  • Author : Martin Thomas Horsch,Silvia Chiacchiera,Welchy Leite Cavalcanti,Björn Schembera
  • Publisher :Unknown
  • Release Date :2021-05-12
  • Total pages :92
  • ISBN : 9783030685973
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Summary : This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way. The Virtual Materials Marketplace (VIMMP), which is open to all service providers and clients, provides a framework for offering and accessing such services, assisting the uptake of novel modelling and simulation approaches by SMEs, consultants, and industrial R&D end users. Semantic assets presented include the EngMeta metadata schema for research data infrastructures in simulation-based engineering and the collection of ontologies from VIMMP, including the ontology for simulation, modelling, and optimization (OSMO) and the VIMMP software ontology (VISO).

Modelling and Simulation in the Science of Micro- and Meso-Porous Materials

Modelling and Simulation in the Science of Micro- and Meso-Porous Materials
  • Author : C.Richard A. Catlow,Veronique Van Speybroeck,Rutger van Santen
  • Publisher :Unknown
  • Release Date :2017-09-20
  • Total pages :370
  • ISBN : 9780128050583
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Summary : Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by experts in the field of micro- and meso-porous materials Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science

Metallurgical Modelling of Welding

Metallurgical Modelling of Welding
  • Author : Oystein Grong,Øystein Grong
  • Publisher :Unknown
  • Release Date :1997
  • Total pages :605
  • ISBN : UOM:39015041252084
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Summary : Gives graduate students, engineers and researchers an in-depth insight into the field of welding metallurgy, providing a broad overview of its fundamental principles. In recent yeras, significant progress has been made in the understanding of the chemical and physical processes which take place during welding. This book brings together all the basic components to reach the goal of faster process development, optimisation of processes and properties, and the possibility of developing new and weldable alloys. The second edition includes a new chapter of exercises with solutions.

Computational Modelling of Nanomaterials

Computational Modelling of Nanomaterials
  • Author : Panagiotis Grammatikopoulos
  • Publisher :Unknown
  • Release Date :2020-10-01
  • Total pages :244
  • ISBN : 9780128214985
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Summary : Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview of various nanosystems classified by their dimensions: 0D (nanoparticles, QDs, etc.), 1D (nanowires, nanotubes), 2D (thin films, graphene, etc.), 3D (nanostructured bulk materials, devices). Fractal dimensions, such as nanoparticle agglomerates, percolating films and combinations of materials of different dimensionalities are also covered (e.g. epitaxial decoration of nanowires by nanoparticles, i.e. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling (FEM), numerical modelling and meso-scale modelling. The focus is on each method’s relevance and suitability for the study of materials and phenomena in the nanoscale. This book is an important resource for understanding the mechanisms behind basic properties of nanomaterials, and the major techniques for computational modelling of nanomaterials. Explores the major modelling techniques used for different classes of nanomaterial Assesses the best modelling technique to use for each different type of nanomaterials Discusses the challenges of using certain modelling techniques with specific nanomaterials

Numerical Modelling of Failure in Advanced Composite Materials

Numerical Modelling of Failure in Advanced Composite Materials
  • Author : Pedro P. Camanho,Stephen R. Hallett
  • Publisher :Unknown
  • Release Date :2015-08-07
  • Total pages :562
  • ISBN : 9780081003428
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Summary : Numerical Modelling of Failure in Advanced Composite Materials comprehensively examines the most recent analysis techniques for advanced composite materials. Advanced composite materials are becoming increasingly important for lightweight design in aerospace, wind energy, and mechanical and civil engineering. Essential for exploiting their potential is the ability to reliably predict their mechanical behaviour, particularly the onset and propagation of failure. Part One investigates numerical modeling approaches to interlaminar failure in advanced composite materials. Part Two considers numerical modelling approaches to intralaminar failure. Part Three presents new and emerging advanced numerical algorithms for modeling and simulation of failure. Part Four closes by examining the various engineering and scientific applications of numerical modeling for analysis of failure in advanced composite materials, such as prediction of impact damage, failure in textile composites, and fracture behavior in through-thickness reinforced laminates. Examines the most recent analysis models for advanced composite materials in a coherent and comprehensive manner Investigates numerical modelling approaches to interlaminar failure and intralaminar failure in advanced composite materials Reviews advanced numerical algorithms for modeling and simulation of failure Examines various engineering and scientific applications of numerical modelling for analysis of failure in advanced composite materials