| Author | : Feliciano Giustino |
| Publisher | : Oxford University Press (UK) |
| Release Date | : 2014 |
| ISBN 10 | : 0199662444 |
| Pages | : 286 pages |
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.
| Author | : Zoe Barber |
| Publisher | : Maney Pub |
| Release Date | : 2005 |
| ISBN 10 | : |
| Pages | : 165 pages |
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.
| Author | : Vijay Kumar,Surajit Sengupta,Baldev Raj |
| Publisher | : Springer Science & Business Media |
| Release Date | : 2012-12-06 |
| ISBN 10 | : 3642804780 |
| Pages | : 446 pages |
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.
| Author | : Z. X. Guo |
| Publisher | : Elsevier |
| Release Date | : 2007-05-31 |
| ISBN 10 | : 184569337X |
| Pages | : 312 pages |
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
| Author | : English |
| Publisher | : CRC Press |
| Release Date | : 2020-11-26 |
| ISBN 10 | : 1000157075 |
| Pages | : 240 pages |
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.
| Author | : Z. X. Guo |
| Publisher | : Elsevier |
| Release Date | : 2007-05-31 |
| ISBN 10 | : 184569337X |
| Pages | : 312 pages |
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
| Author | : Vijay Kumar,Surajit Sengupta,Baldev Raj |
| Publisher | : Springer Science & Business Media |
| Release Date | : 2012-12-06 |
| ISBN 10 | : 3642804780 |
| Pages | : 446 pages |
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.
| Author | : Holm Altenbach,Serge Kruch |
| Publisher | : Springer Science & Business Media |
| Release Date | : 2013-02-05 |
| ISBN 10 | : 3642351670 |
| Pages | : 361 pages |
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.
| Author | : Jianguo Lin |
| Publisher | : World Scientific Publishing Company |
| Release Date | : 2015-03-24 |
| ISBN 10 | : 1783264993 |
| Pages | : 540 pages |
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.
| Author | : André Ferreira Costa Vieira |
| Publisher | : Nova Science Publishers |
| Release Date | : 2017 |
| ISBN 10 | : 9781536121926 |
| Pages | : 215 pages |
This book endeavors to provide readers with the most up-to-date methodologies used to simulate and predict different features of material behaviors as well as their damage evolution and failure. Much of the information used in this book is from the authors' own research that has been conducted over the last years. This book contains a compilation of new developments in the creation and use of mathematical methodologies able to model material behaviors, including different materials and applications. Some of these recent methodologies enable researchers to investigate the mechanical behavior coupled with electrical or chemical behavior. Other methodologies model the mechanical behavior or its damage evolution and its failure based on a multiscale analysis. In addition, different approaches alternative to conventional finite element methods, such as new discretization meshless methods, different homogenization methods or higher order formulations are also applied to model different materials.This book contains a total of nine chapters. The chapters have both new, original articles and review articles with updated and new information. Furthermore, the numerical methodologies presented among these chapters can be adapted to model other materials, therefore inspiring the readers for different applications.The target audience of this book are solid mechanics scientists, mathematicians and engineers in both universities and industries with an interest in the material model field. Readers should already have an in-depth knowledge of continuum mechanics and the finite element method applied to solids. It is not the aim of this book to introduce the reader to these subjects. Engineers and designers that are familiar with mechanical simulations will find that this book covers the latest developments and challenges useful either as a comprehensive review or an up-to-date report of the developments in the field of material modeling.The contributors include academic scientists from different countries in North (USA) and South America (Brazil, Cuba) as well as Europe (Italy, Portugal). Therefore, this book is internationally as well as multi-application oriented.
| Author | : C. Lakshmana Rao,Abhijit P. Deshpande |
| Publisher | : John Wiley & Sons |
| Release Date | : 2014-07-02 |
| ISBN 10 | : 1118919580 |
| Pages | : 264 pages |
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.
| Author | : Jacques Besson,Matthieu Mazière |
| Publisher | : Presses des MINES |
| Release Date | : 2011 |
| ISBN 10 | : 2911256611 |
| Pages | : 375 pages |
| Author | : C.Richard A. Catlow,Veronique Van Speybroeck,Rutger van Santen |
| Publisher | : Elsevier |
| Release Date | : 2017-09-20 |
| ISBN 10 | : 0128050586 |
| Pages | : 370 pages |
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
| Author | : N.A |
| Publisher | : N.A |
| Release Date | : 1999 |
| ISBN 10 | : |
| Pages | : 329 pages |
| Author | : Konstantin Z. Markov |
| Publisher | : World Scientific |
| Release Date | : 1994 |
| ISBN 10 | : 9789810216443 |
| Pages | : 289 pages |
This volume contains papers of leading experts in the modern continuum theory of composite materials. The papers expose in detail the newest ideas, approaches, results and perspectives in this broadly interdisciplinary field ranging from pure and applied mathematics, mechanics, physics and materials science. The emphasis is on mathematical modelling and model analysis of the mechanical behaviour and strength of composites, including methods of predicting effective macroscopic properties (dielectric, elastic, nonlinear, inelastic, plastic and thermoplastic) from known microstructures.
| Author | : Sidney Yip |
| Publisher | : Springer Science & Business Media |
| Release Date | : 2007-11-17 |
| ISBN 10 | : 1402032862 |
| Pages | : 2965 pages |
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.
| Author | : C Soutis,P W R Beaumont |
| Publisher | : Elsevier |
| Release Date | : 2005-08-29 |
| ISBN 10 | : 1845690842 |
| Pages | : 528 pages |
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
| Author | : F L Matthews,G A O Davies,D Hitchings,C Soutis |
| Publisher | : Elsevier |
| Release Date | : 2000-10-27 |
| ISBN 10 | : 1855738929 |
| Pages | : 224 pages |
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
| Author | : Ellad B. Tadmor,Ronald E. Miller |
| Publisher | : Cambridge University Press |
| Release Date | : 2011-11-24 |
| ISBN 10 | : 1139500651 |
| Pages | : 329 pages |
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.
| Author | : T D Papthanasiou,D C Guell |
| Publisher | : Elsevier |
| Release Date | : 1997-10-21 |
| ISBN 10 | : 1855737477 |
| Pages | : 384 pages |
The purpose of aligning short fibres in a fibre-reinforced material is to improve the mechanical properties of the resulting composite. Aligning the fibres, generally in a preferred direction, allows them to contribute as much as possible to reinforcing the material. Flow induced alignment in composite materials details, in a single volume, the science, processing, applications, characterisation and properties of composite materials reinforced with short fibres that have been orientated in a preferred direction by flows arising during processing. The topics discussed include fibre alignment and materials rheology; processes that can produce fibre alignment in polymeric, liquid crystal polymeric, and metallic composites; materials characterization and mechanical properties; and modelling of processes and materials properties. The technology of fibre-reinforced composites is continually evolving and this book provides timely and much needed information about this important class of engineering materials. The bookis an essential reference work for industry and an indispensable guide for the research worker, advanced student and materials scientist.