<p>This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The
Multiscale Materials Modeling for Nanomechanics
β Scribed by Christopher R. Weinberger, Garritt J. Tucker (eds.)
- Publisher
- Springer International Publishing
- Year
- 2016
- Tongue
- English
- Leaves
- 554
- Series
- Springer Series in Materials Science 245
- Edition
- 1
- Category
- Library
No coin nor oath required. For personal study only.
β¦ Synopsis
This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.
β¦ Table of Contents
Front Matter....Pages i-xv
Introduction to Atomistic Simulation Methods....Pages 1-52
Fundamentals of Dislocation Dynamics Simulations....Pages 53-87
Continuum Approximations....Pages 89-129
Density Functional Theory Methods for Computing and Predicting Mechanical Properties....Pages 131-158
The Quasicontinuum Method: Theory and Applications....Pages 159-193
A Review of Enhanced Sampling Approaches for Accelerated Molecular Dynamics....Pages 195-221
Principles of Coarse-Graining and Coupling Using the Atom-to-Continuum Method....Pages 223-259
Concurrent Atomistic-Continuum Simulation of Defects in Polyatomic Ionic Materials....Pages 261-296
Continuum Metrics for Atomistic Simulation Analysis....Pages 297-315
Visualization and Analysis Strategies for Atomistic Simulations....Pages 317-336
Advances in Discrete Dislocation Dynamics Modeling of Size-Affected Plasticity....Pages 337-371
Modeling Dislocation Nucleation in Nanocrystals....Pages 373-411
Quantized Crystal Plasticity Modeling of Nanocrystalline Metals....Pages 413-440
Kinetic Monte Carlo Modeling of Nanomechanics in Amorphous Systems....Pages 441-468
Nanomechanics of Ferroelectric Thin Films and Heterostructures....Pages 469-488
Modeling of Lithiation in Silicon Electrodes....Pages 489-506
Multiscale Modeling of Thin Liquid Films....Pages 507-536
Back Matter....Pages 537-547
β¦ Subjects
Nanotechnology;Numerical and Computational Physics, Simulation;Continuum Mechanics and Mechanics of Materials;Nanoscale Science and Technology;Nanotechnology and Microengineering;Characterization and Evaluation of Materials
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