# Materials Modelling

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## Handbook of Materials Modeling

Author | : Sidney Yip |

Publsiher | : Springer Science & Business Media |

Total Pages | : 2965 |

Release | : 2007-11-17 |

ISBN 10 | : 1402032862 |

ISBN 13 | : 9781402032868 |

Language | : EN, FR, DE, ES & NL |

**Handbook of Materials Modeling Book Review:**

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.

## Multiscale Materials Modelling

Author | : Z. X. Guo |

Publsiher | : Elsevier |

Total Pages | : 312 |

Release | : 2007-05-31 |

ISBN 10 | : 184569337X |

ISBN 13 | : 9781845693374 |

Language | : EN, FR, DE, ES & NL |

**Multiscale Materials Modelling Book Review:**

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 Using Density Functional Theory

Author | : Feliciano Giustino |

Publsiher | : Oxford University Press |

Total Pages | : 286 |

Release | : 2014 |

ISBN 10 | : 0199662436 |

ISBN 13 | : 9780199662432 |

Language | : EN, FR, DE, ES & NL |

**Materials Modelling Using Density Functional Theory Book Review:**

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.

## Modeling Materials

Author | : Ellad B. Tadmor,Ronald E. Miller |

Publsiher | : Cambridge University Press |

Total Pages | : 135 |

Release | : 2011-11-24 |

ISBN 10 | : 1139500651 |

ISBN 13 | : 9781139500654 |

Language | : EN, FR, DE, ES & NL |

**Modeling Materials Book Review:**

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.

## Computer Simulation of Porous Materials

Author | : Kim E. Jelfs |

Publsiher | : Royal Society of Chemistry |

Total Pages | : 312 |

Release | : 2021-09-08 |

ISBN 10 | : 1788019008 |

ISBN 13 | : 9781788019002 |

Language | : EN, FR, DE, ES & NL |

**Computer Simulation of Porous Materials Book Review:**

This book covers key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to rationalise or predict a range of properties.

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

Author | : Eui-Hyeok Yang,Dibakar Datta,Junjun Ding,Grzegorz Hader |

Publsiher | : Elsevier |

Total Pages | : 534 |

Release | : 2020-06-19 |

ISBN 10 | : 0128184760 |

ISBN 13 | : 9780128184769 |

Language | : EN, FR, DE, ES & NL |

**Synthesis Modelling and Characterization of 2D Materials and their Heterostructures Book Review:**

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

## Materials Modelling

Author | : English |

Publsiher | : CRC Press |

Total Pages | : 240 |

Release | : 2020-11-26 |

ISBN 10 | : 1000157075 |

ISBN 13 | : 9781000157079 |

Language | : EN, FR, DE, ES & NL |

**Materials Modelling Book Review:**

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

Author | : Feliciano Giustino |

Publsiher | : OUP Oxford |

Total Pages | : 304 |

Release | : 2014-05-15 |

ISBN 10 | : 0191639435 |

ISBN 13 | : 9780191639432 |

Language | : EN, FR, DE, ES & NL |

**Materials Modelling using Density Functional Theory Book Review:**

This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schrödinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, and engineering who are approaching for the first time the study of materials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of simple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary; an attempt is made to seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompanied by an extensive set of references to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. 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 density functional theory.

## Data Technology in Materials Modelling

Author | : Martin Thomas Horsch,Silvia Chiacchiera,Welchy Leite Cavalcanti,Björn Schembera |

Publsiher | : Springer Nature |

Total Pages | : 92 |

Release | : 2021-03-19 |

ISBN 10 | : 3030685977 |

ISBN 13 | : 9783030685973 |

Language | : EN, FR, DE, ES & NL |

**Data Technology in Materials Modelling Book Review:**

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).

## Frontiers in Materials Modelling and Design

Author | : Vijay Kumar,Surajit Sengupta,Baldev Raj |

Publsiher | : Springer Science & Business Media |

Total Pages | : 446 |

Release | : 2012-12-06 |

ISBN 10 | : 3642804780 |

ISBN 13 | : 9783642804786 |

Language | : EN, FR, DE, ES & NL |

**Frontiers in Materials Modelling and Design Book Review:**

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.

## Advanced Materials Modelling for Structures

Author | : Holm Altenbach,Serge Kruch |

Publsiher | : Springer Science & Business Media |

Total Pages | : 361 |

Release | : 2013-02-05 |

ISBN 10 | : 3642351670 |

ISBN 13 | : 9783642351679 |

Language | : EN, FR, DE, ES & NL |

**Advanced Materials Modelling for Structures Book Review:**

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.

## Material Modelling

Author | : André Ferreira Costa Vieira |

Publsiher | : Nova Science Publishers |

Total Pages | : 215 |

Release | : 2017 |

ISBN 10 | : 9781536121926 |

ISBN 13 | : 1536121924 |

Language | : EN, FR, DE, ES & NL |

**Material Modelling Book Review:**

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.

## Fundamentals of Materials Modelling for Metals Processing Technologies

Author | : Jianguo Lin |

Publsiher | : World Scientific Publishing Company |

Total Pages | : 540 |

Release | : 2015-03-24 |

ISBN 10 | : 1783264993 |

ISBN 13 | : 9781783264995 |

Language | : EN, FR, DE, ES & NL |

**Fundamentals of Materials Modelling for Metals Processing Technologies Book Review:**

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.

## Advanced Materials Modelling for Mechanical Medical and Biological Applications

Author | : Holm Altenbach |

Publsiher | : Springer Nature |

Total Pages | : 135 |

Release | : 2022 |

ISBN 10 | : 3030817059 |

ISBN 13 | : 9783030817053 |

Language | : EN, FR, DE, ES & NL |

**Advanced Materials Modelling for Mechanical Medical and Biological Applications Book Review:**

## Multiscale Modelling of Advanced Materials

Author | : Runa Kumari,Balamati Choudhury |

Publsiher | : Springer Nature |

Total Pages | : 199 |

Release | : 2020-02-08 |

ISBN 10 | : 9811522677 |

ISBN 13 | : 9789811522673 |

Language | : EN, FR, DE, ES & NL |

**Multiscale Modelling of Advanced Materials Book Review:**

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.

## Constitutive Modeling of Engineering Materials

Author | : Vladimir Buljak,Gianluca Ranzi |

Publsiher | : Academic Press |

Total Pages | : 328 |

Release | : 2021-02-18 |

ISBN 10 | : 0128146974 |

ISBN 13 | : 9780128146972 |

Language | : EN, FR, DE, ES & NL |

**Constitutive Modeling of Engineering Materials Book Review:**

Constitutive Modeling of Engineering Materials provides an extensive theoretical overview of elastic, plastic, damage, and fracture models, giving readers the foundational knowledge needed to successfully apply them to and solve common engineering material problems. Particular attention is given to inverse analysis, parameter identification, and the numerical implementation of models with the finite element method. Application in practice is discussed in detail, showing examples of working computer programs for simple constitutive behaviors. Examples explore the important components of material modeling which form the building blocks of any complex constitutive behavior. Addresses complex behaviors in a wide range of materials, from polymers, to metals and shape memory alloys Covers constitutive models with both small and large deformations Provides detailed examples of computer implementations for material models

## Numerical Modelling of Failure in Advanced Composite Materials

Author | : Pedro P. Camanho,Stephen R. Hallett |

Publsiher | : Woodhead Publishing |

Total Pages | : 562 |

Release | : 2015-08-07 |

ISBN 10 | : 0081003420 |

ISBN 13 | : 9780081003428 |

Language | : EN, FR, DE, ES & NL |

**Numerical Modelling of Failure in Advanced Composite Materials Book Review:**

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

## Topics in the Mathematical Modelling of Composite Materials

Author | : Andrej V. Cherkaev,Robert Kohn |

Publsiher | : Springer |

Total Pages | : 317 |

Release | : 2018-09-18 |

ISBN 10 | : 3319971840 |

ISBN 13 | : 9783319971841 |

Language | : EN, FR, DE, ES & NL |

**Topics in the Mathematical Modelling of Composite Materials Book Review:**

Over the past several decades, we have witnessed a renaissance of theoretical work on the macroscopic behavior of microscopically heterogeneous materials. This activity brings together a number of related themes, including: (1) the use of weak convergence as a rigorous yet general language for the discussion of macroscopic behavior; (2) interest in new types of questions, particularly the "G-closure problem," motivated in large part by applications of optimal control theory to structural optimization; (3) the introduction of new methods for bounding effective moduli, including one based on "compensated compactness"; and (4) the identification of deep links between the analysis of microstructures and the multidimensional calculus of variations. This work has implications for many physical problems involving optimal design, composite materials, and coherent phase transitions. As a result, it has received attention and support from numerous scientific communities, including engineering, materials science, and physics, as well as mathematics. There is by now an extensive literature in this area. But for various reasons certain fundamental papers were never properly published, circulating instead as mimeographed notes or preprints. Other work appeared in poorly distributed conference proceedings volumes. Still other work was published in standard books or journals, but written in Russian or French. The net effect is a sort of "gap" in the literature, which has made the subject unnecessarily difficult for newcomers to penetrate. The present, softcover reprint is designed to make this classic text available to a wider audience. "Summarizes some of the fundamental results achieved and offers new perspectives in the mechanics of composite and micromechanics... Will become a classic in the two fields." —Applied Mechanics Review

## Interatomic Forces in Condensed Matter

Author | : Mike Finnis |

Publsiher | : Oxford University Press |

Total Pages | : 304 |

Release | : 2010-05-13 |

ISBN 10 | : 0199588120 |

ISBN 13 | : 9780199588121 |

Language | : EN, FR, DE, ES & NL |

**Interatomic Forces in Condensed Matter Book Review:**

There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using a variety of academic and commercial computer programs. In all such programs there is some physical model of the inter-atomic forces, which may be based on something as simple as a pair interaction, such as the Lennard-Jones model, or as complex as a self-consistent, all-electron solution of the quantum mechanical problem. For a student or researcher, the basis of such models is often shrouded in mystery. It is usually unclear how well founded they are, since it is hard to find a discussion of the physical assumptions that have been made in their construction. The lack of clear understanding of the scope and limitations of a given model may lead to its innocent misuse, resulting either in unfair criticism of the model or in the dissemination of nonsensical results. In the present book, models of inter-atomic forces are derived from a common physical basis, namely the density functional theory. The interested reader will be able to follow the detailed derivation of pairwise potentials in simple metals, tight-binding models from the simplest to the most sophisticated (self-consistent) kind, and various ionic models. The book is self-contained, requiring no more background than provided by an undergraduate quantum mechanics course. It aims to furnish the reader with a critical appreciation of the broad range of models in current use, and to provide the tools for understanding other variants that are described in the literature. Some of the material is new, and some pointers are given to possible future avenues of model development.

## Constitutive Modelling of Granular Materials

Author | : Dimitrios Kolymbas |

Publsiher | : Springer Science & Business Media |

Total Pages | : 554 |

Release | : 2012-12-06 |

ISBN 10 | : 3642570186 |

ISBN 13 | : 9783642570186 |

Language | : EN, FR, DE, ES & NL |

**Constitutive Modelling of Granular Materials Book Review:**

In view of its extreme complexity the mathematical description of the mechanical behaviour of granular materials is an extremely difficult task. Today many different models compete with each other. However, the complexity of the models hinders their comparison, and the potential users are confused and, often, disencouraged. This book is expected to serve as a milestone in the present situation, to evaluate the present methodes, to clear up the situation, to focus and encourage for further research activities.