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Molecular Dynamics Simulations of Disordered Materials

From Network Glasses to Phase-Change Memory Alloys

  • Book
  • © 2015

Overview

  • Provides a methodological overview of how to use molecular dynamics to understand the structure of glasses
  • Includes a collection of the most updated results on the atomic structure of prototypical glassy materials
  • A valuable guide to modeling glasses for graduate students, researchers and experts in the area
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Series in Materials Science (SSMATERIALS, volume 215)

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About this book

This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.

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Table of contents (19 chapters)

Editors and Affiliations

  • IPCMS, Strasbourg University, Strasbourg, France

    Carlo Massobrio

  • Dept. of Materials Science and Engineeri, University of North Texas, Denton, USA

    Jincheng Du

  • Dept. of Materials Science, University of Milan Bicocca, Milan, Italy

    Marco Bernasconi

  • Dept. of Physics, University of Bath, Bath, United Kingdom

    Philip S. Salmon

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