Theory And Simulation In Physics For Materials Applications
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Theory And Simulation In Physics For Materials Applications
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Author : Elena V. Levchenko
language : en
Publisher: Springer Nature
Release Date : 2020-02-14
Theory And Simulation In Physics For Materials Applications written by Elena V. Levchenko and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-14 with Technology & Engineering categories.
This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science. Today, an increasing number of industrial communities rely more and more on advanced atomic-scale methods to obtain reliable predictions of materials properties, complement qualitative experimental analyses and circumvent experimental difficulties. The book examines some of the latest and most advanced simulation techniques currently available, as well as up-to-date theoretical approaches adopted by a selected panel of twelve international research teams. It covers a wide range of novel and advanced materials, exploring their structural, elastic, optical, mass and electronic transport properties. The cutting-edge techniques presented appeal to physicists, applied mathematicians and engineers interested in advanced simulation methods in materials science. The book can also be used as additional literature for undergraduate and postgraduate students with majors in physics, chemistry, applied mathematics and engineering.
Theory And Simulation In Physics For Materials Applications
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Author :
language : en
Publisher:
Release Date : 2020
Theory And Simulation In Physics For Materials Applications written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020 with Materials categories.
This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science. Today, an increasing number of industrial communities rely more and more on advanced atomic-scale methods to obtain reliable predictions of materials properties, complement qualitative experimental analyses and circumvent experimental difficulties. The book examines some of the latest and most advanced simulation techniques currently available, as well as up-to-date theoretical approaches adopted by a selected panel of twelve international research teams. It covers a wide range of novel and advanced materials, exploring their structural, elastic, optical, mass and electronic transport properties. The cutting-edge techniques presented appeal to physicists, applied mathematicians and engineers interested in advanced simulation methods in materials science. The book can also be used as additional literature for undergraduate and postgraduate students with majors in physics, chemistry, applied mathematics and engineering.
Handbook Of Materials Modeling
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Author : Sidney Yip
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-11-17
Handbook Of Materials Modeling written by Sidney Yip and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-11-17 with Science categories.
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.
Applied Computational Materials Modeling
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Author : Guillermo Bozzolo
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-10-12
Applied Computational Materials Modeling written by Guillermo Bozzolo and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-12 with Computers categories.
The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.
Molecular Dynamics Simulations In Statistical Physics Theory And Applications
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Author : Hiqmet Kamberaj
language : en
Publisher: Springer Nature
Release Date : 2020-03-20
Molecular Dynamics Simulations In Statistical Physics Theory And Applications written by Hiqmet Kamberaj and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-20 with Science categories.
This book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems. The numerical methods are introduced in the form of computer algorithms and can be implemented in computers using any desired computer programming language, such as Fortran 90, C/C++, and others. The book also explains how some of these numerical methods and their algorithms can be implemented in the existing computer programming software of macromolecular systems, such as the CHARMM program. In addition, it examines a number of advanced concepts of computer simulation techniques used in statistical physics as well as biological and physical systems. Discussing the molecular dynamics approach in detail to enhance readers understanding of the use of this method in statistical physics problems, it also describes the equations of motion in various statistical ensembles to mimic real-world experimental conditions. Intended for graduate students and research scientists working in the field of theoretical and computational biophysics, physics and chemistry, the book can also be used by postgraduate students of other disciplines, such as applied mathematics, computer sciences, and bioinformatics. Further, offering insights into fundamental theory, it as a valuable resource for expert practitioners and programmers and those new to the field.
Computer Simulation In Physics And Engineering
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Author : Martin Oliver Steinhauser
language : en
Publisher: Walter de Gruyter
Release Date : 2012-12-06
Computer Simulation In Physics And Engineering written by Martin Oliver Steinhauser and has been published by Walter de Gruyter this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
This work is a needed reference for widely used techniques and methods of computer simulation in physics and other disciplines, such as materials science. Molecular dynamics computes a molecule's reactions and dynamics based on physical models; Monte Carlo uses random numbers to image a system's behaviour when there are different possible outcomes with related probabilities. The work conveys both the theoretical foundations as well as applications and "tricks of the trade", that often are scattered across various papers. Thus it will meet a need and fill a gap for every scientist who needs computer simulations for his/her task at hand. In addition to being a reference, case studies and exercises for use as course reading are included.
Understanding Molecular Simulation
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Author : Daan Frenkel
language : en
Publisher: Elsevier
Release Date : 2001-10-19
Understanding Molecular Simulation written by Daan Frenkel and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-10-19 with Science categories.
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Reconstructing Reality
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Author : Margaret Morrison
language : en
Publisher:
Release Date : 2015
Reconstructing Reality written by Margaret Morrison and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Mathematics categories.
Attempts to understand various aspects of the empirical world often rely on modelling processes that involve a reconstruction of systems under investigation. Typically the reconstruction uses mathematical frameworks like gauge theory and renormalization group methods, but more recently simulations also have become an indispensable tool for investigation. This book is a philosophical examination of techniques and assumptions related to modelling and simulation with the goal of showing how these abstract descriptions can contribute to our understanding of the physical world. Particular issues include the role of fictional models in science, how mathematical formalisms can yield physical information, and how we should approach the use of inconsistent models for specific types of systems. It also addresses the role of simulation, specifically the conditions under which simulation can be seen as a technique for measurement, replacing more traditional experimental approaches. Inherent worries about the legitimacy of simulation "knowledge" are also addressed, including an analysis of verification and validation and the role of simulation data in the search for the Higgs boson. In light of the significant role played by simulation in the Large Hadron Collider experiments, it is argued that the traditional distinction between simulation and experiment is no longer applicable in some contexts of modern science. Consequently, a re-evaluation of the way and extent to which simulation delivers empirical knowledge is required. "This is a, lively, stimulating, and important book by one of the main scholars contributing to current topics and debates in our field. It will be a major resource for philosophers of science, their students, scientists interested in examining scientific practice, and the general scientifically literate public."-Bas van Fraassen, Distinguished Professor of Philosophy, San Francisco State University
Theory And Application Of Quantum Based Interatomic Potentials In Metals And Alloys
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Author : John A. Moriarty
language : en
Publisher: Oxford University Press
Release Date : 2023
Theory And Application Of Quantum Based Interatomic Potentials In Metals And Alloys written by John A. Moriarty and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023 with Science categories.
The book spans the entire QBIP process from foundation in fundamental theory, to development and machine-learning optimization of accurate potentials for real materials, to the application of the potentials to materials modeling and simulation of structural, thermodynamic, defect and mechanical properties of important metals and alloys.
Advanced Monte Carlo For Radiation Physics Particle Transport Simulation And Applications
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Author : Andreas Kling
language : en
Publisher: Springer Science & Business Media
Release Date : 2014-02-22
Advanced Monte Carlo For Radiation Physics Particle Transport Simulation And Applications written by Andreas Kling and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-02-22 with Science categories.
This book focusses on the state of the art of Monte Carlo methods in radiation physics and particle transport simulation and applications, the latter involving in particular, the use and development of electron--gamma, neutron--gamma and hadronic codes. Besides the basic theory and the methods employed, special attention is paid to algorithm development for modeling, and the analysis of experiments and measurements in a variety of fields ranging from particle to medical physics.