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Multiscale Materials Modeling for Nanomechanics

  • Book
  • © 2016

Overview

Editors:
  1. Christopher R. Weinberger

    1. Drexel University, Philadelphia, USA

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    You can also search for this editor in PubMed   Google Scholar

  2. Garritt J. Tucker

    1. Drexel University, Philadelphia, USA

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    You can also search for this editor in PubMed   Google Scholar

  • Provides a comprehensive introduction to the common
  • computational tools used in multiscale modeling with a particular focus on
  • Features chapters on a number of key emerging multiscale and
  • analysis methods written by the experts who are developing these tools
  • Presents an extensive collection of case studies demonstrating the use of multiscale modeling in real nanomechanics applications and novel approaches to analyze and connect scales in nanomechanics
  • Includes links to both commercial and open source codes and software
  • Equips readers with the necessary background, practical tips, and codes to incorporate these techniques into their own research
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Series in Materials Science (SSMATERIALS, volume 245)

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Table of contents (17 chapters)

  1. Front Matter

    Pages i-xv
    Download chapter PDF

  2. Introduction to Atomistic Simulation Methods

    • Reese E. Jones, Christopher R. Weinberger, Shawn P. Coleman, Garritt J. Tucker
    Pages 1-52

  3. Fundamentals of Dislocation Dynamics Simulations

    • Ryan B. Sills, William P. Kuykendall, Amin Aghaei, Wei Cai
    Pages 53-87

  4. Continuum Approximations

    • Joseph E. Bishop, Hojun Lim
    Pages 89-129

  5. Density Functional Theory Methods for Computing and Predicting Mechanical Properties

    • Niranjan V. Ilawe, Marc N. Cercy Groulx, Bryan M. Wong
    Pages 131-158

  6. The Quasicontinuum Method: Theory and Applications

    • Dennis M. Kochmann, Jeffrey S. Amelang
    Pages 159-193

  7. A Review of Enhanced Sampling Approaches for Accelerated Molecular Dynamics

    • Pratyush Tiwary, Axel van de Walle
    Pages 195-221

  8. Principles of Coarse-Graining and Coupling Using the Atom-to-Continuum Method

    • Reese E. Jones, Jeremy Templeton, Jonathan Zimmerman
    Pages 223-259

  9. Concurrent Atomistic-Continuum Simulation of Defects in Polyatomic Ionic Materials

    • Shengfeng Yang, Youping Chen
    Pages 261-296

  10. Continuum Metrics for Atomistic Simulation Analysis

    • Garritt J. Tucker, Dan Foley, Jacob Gruber
    Pages 297-315

  11. Visualization and Analysis Strategies for Atomistic Simulations

    • Alexander Stukowski
    Pages 317-336

  12. Advances in Discrete Dislocation Dynamics Modeling of Size-Affected Plasticity

    • Jaafar A. El-Awady, Haidong Fan, Ahmed M. Hussein
    Pages 337-371

  13. Modeling Dislocation Nucleation in Nanocrystals

    • Matthew Guziewski, Hang Yu, Christopher R. Weinberger
    Pages 373-411

  14. Quantized Crystal Plasticity Modeling of Nanocrystalline Metals

    • Lin Li, Peter M. Anderson
    Pages 413-440

  15. Kinetic Monte Carlo Modeling of Nanomechanics in Amorphous Systems

    • Eric R. Homer, Lin Li, Christopher A. Schuh
    Pages 441-468

  16. Nanomechanics of Ferroelectric Thin Films and Heterostructures

    • Yulan Li, Shengyang Hu, Long-Qing Chen
    Pages 469-488

  17. Modeling of Lithiation in Silicon Electrodes

    • Feifei Fan, Ting Zhu
    Pages 489-506

  18. Multiscale Modeling of Thin Liquid Films

    • Han Hu, Ying Sun
    Pages 507-536

  19. Back Matter

    Pages 537-547
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Keywords

About this book

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.

Editors and Affiliations

  • Drexel University, Philadelphia, USA

    Christopher R. Weinberger, Garritt J. Tucker

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