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  • Book
  • © 2015

Molecular Dynamics Simulations of Disordered Materials

From Network Glasses to Phase-Change Memory Alloys

Editors:

  1. Carlo Massobrio

    1. IPCMS, Strasbourg University, Strasbourg, France

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  2. Jincheng Du

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

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    You can also search for this editor in PubMed   Google Scholar

  3. Marco Bernasconi

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

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  4. Philip S. Salmon

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

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    You can also search for this editor in PubMed   Google Scholar

  • 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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Table of contents (19 chapters)

  1. Front Matter

    Pages i-xix
    PDF

  2. The Atomic-Scale Structure of Network Glass-Forming Materials

    • Philip S. Salmon, Anita Zeidler
    Pages 1-31

  3. First-Principles Molecular Dynamics Methods: An Overview

    • Mauro Boero, Assil Bouzid, Sebastien Le Roux, Burak Ozdamar, Carlo Massobrio
    Pages 33-55

  4. Metadynamics Simulations of Nucleation

    • Ider Ronneberger, Riccardo Mazzarello
    Pages 57-85

  5. Challenges in Modeling Mixed Ionic-Covalent Glass Formers

    • Liping Huang, John Kieffer
    Pages 87-112

  10. Modelling Networks in Varying Dimensions

    • Mark Wilson
    Pages 215-254

  12. Topological Constraints, Rigidity Transitions, and Anomalies in Molecular Networks

    • M. Micoulaut, M. Bauchy, H. Flores-Ruiz
    Pages 275-311

  13. First-Principles Modeling of Binary Chalcogenides: Recent Accomplishments and New Achievements

    • Assil Bouzid, Sébastien Le Roux, Guido Ori, Christine Tugène, Mauro Boero, Carlo Massobrio
    Pages 313-344

  14. Molecular Modeling of Glassy Surfaces

    • Guido Ori, Carlo Massobrio, Assil Bouzid, B. Coasne
    Pages 345-365

  16. Functional Properties of Phase Change Materials from Atomistic Simulations

    • Sebastiano Caravati, Gabriele C. Sosso, Marco Bernasconi
    Pages 415-440

  17. Ab Initio Molecular-Dynamics Simulations of Doped Phase-Change Materials

    • J. M. Skelton, T. H. Lee, S. R. Elliott
    Pages 441-456

  19. Amorphous Phase Change Materials: Structure, Stability and Relation with Their Crystalline Phase

    • Jean-Yves Raty, Céline Otjacques, Rengin Peköz, Vincenzo Lordi, Christophe Bichara
    Pages 485-509
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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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Keywords

  • AB Initio Studies of Ge-Sb-Te Compounds
  • Atomic Structure of Glasses
  • Atomic-scale Simulation of Glasses
  • Chemistry of Materials
  • MD Modeling of Glasses
  • Modeling of Glasses
  • Modeling of Silicate Liquids
  • Modeling of Silicate Liquids
  • Molecular Dynamics
  • Network Glasses
  • Structural Properties of Materials
  • Structure of Glasses
  • Topology and Igidity of Glasses
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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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Bibliographic Information

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Access via your institution

Buy it now

eBook USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

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