Computational Multiscale Modeling of Fluids and Solids
Computational Multiscale Modeling of Fluids and Solids

Author: Martin Oliver Steinhauser

Publisher: Springer Science & Business Media

Published: 2008

Total Pages: 863

ISBN-13: 3540751165

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The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification. The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are occasionally included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.

Computational Multiscale Modeling of Fluids and Solids
Computational Multiscale Modeling of Fluids and Solids

Author: Martin Steinhauser

Publisher: Springer

Published: 2009-09-02

Total Pages: 428

ISBN-13: 9783540844037

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Devastatingly simple, yet hugely effective, the concept of this timely text is to provide a comprehensive overview of computational physics methods and techniques used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length scale. The book includes the micro scale, the meso-scale and the macro scale.

Computational Multiscale Modeling of Multiphase Nanosystems
Computational Multiscale Modeling of Multiphase Nanosystems

Author: Alexander V. Vakhrushev

Publisher: CRC Press

Published: 2017-10-10

Total Pages: 376

ISBN-13: 1351800264

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Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.

Principles of Multiscale Modeling
Principles of Multiscale Modeling

Author: Weinan E

Publisher: Cambridge University Press

Published: 2011-07-07

Total Pages: 485

ISBN-13: 1107096545

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A systematic discussion of the fundamental principles, written by a leading contributor to the field.

Practical Aspects of Computational Chemistry
Practical Aspects of Computational Chemistry

Author: Jerzy Leszczynski

Publisher: Springer Science & Business Media

Published: 2009-10-03

Total Pages: 468

ISBN-13: 9048126878

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"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.

Multiscale Modeling and Simulation of Shock Wave-Induced Failure in Materials Science
Multiscale Modeling and Simulation of Shock Wave-Induced Failure in Materials Science

Author: Martin Oliver Steinhauser

Publisher: Springer

Published: 2018-02-24

Total Pages: 235

ISBN-13: 3658211342

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Martin Oliver Steinhauser deals with several aspects of multiscale materials modeling and simulation in applied materials research and fundamental science. He covers various multiscale modeling approaches for high-performance ceramics, biological bilayer membranes, semi-flexible polymers, and human cancer cells. He demonstrates that the physics of shock waves, i.e., the investigation of material behavior at high strain rates and of material failure, has grown to become an important interdisciplinary field of research on its own. At the same time, progress in computer hardware and software development has boosted new ideas in multiscale modeling and simulation. Hence, bridging the length and time scales in a theoretical-numerical description of materials has become a prime challenge in science and technology.

Computational Approaches in Physics
Computational Approaches in Physics

Author: Maria Fyta

Publisher: Morgan & Claypool Publishers

Published: 2016-11-01

Total Pages: 166

ISBN-13: 168174418X

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Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive are also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.

Mechanical Behavior of Advanced Materials: Modeling and Simulation
Mechanical Behavior of Advanced Materials: Modeling and Simulation

Author: Qihong Fang

Publisher: CRC Press

Published: 2023-11-30

Total Pages: 339

ISBN-13: 1000994996

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With the recent developments in the field of advanced materials, there exists a need for a systematic summary and detailed introduction of the modeling and simulation methods for these materials. This book provides a comprehensive description of the mechanical behavior of advanced materials using modeling and simulation. It includes materials such as high-entropy alloys, high-entropy amorphous alloys, nickel-based superalloys, light alloys, electrode materials, and nanostructured reinforced composites. Reviews the performance and application of a variety of advanced materials and provides the detailed theoretical modeling and simulation of mechanical properties Covers the topics of deformation, fracture, diffusion, and fatigue Features worked examples and exercises that help readers test their understanding This book is aimed at researchers and advanced students in solid mechanics, material science, engineering, material chemistry, and those studying the mechanics of materials.

Computational and Experimental Simulations in Engineering
Computational and Experimental Simulations in Engineering

Author: Honghua Dai

Publisher: Springer Nature

Published: 2022-08-23

Total Pages: 389

ISBN-13: 3031020979

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This book gathers the latest advances, innovations, and applications in the field of computational engineering, as presented by leading international researchers and engineers at the 27th International Conference on Computational & Experimental Engineering and Sciences (ICCES), held online on January 8-12, 2022. ICCES covers all aspects of applied sciences and engineering: theoretical, analytical, computational, and experimental studies and solutions of problems in the physical, chemical, biological, mechanical, electrical, and mathematical sciences. As such, the book discusses highly diverse topics, including composites; bioengineering & biomechanics; geotechnical engineering; offshore & arctic engineering; multi-scale & multi-physics fluid engineering; structural integrity & longevity; materials design & simulation; and computer modeling methods in engineering. The contributions, which were selected by means of a rigorous international peer-review process, highlight numerous exciting ideas that will spur novel research directions and foster multidisciplinary collaborations.