Molecular Dynamics Simulations of Disordered Materials

From Network Glasses to Phase-Change Memory Alloys

  • Carlo Massobrio
  • Jincheng Du
  • Marco Bernasconi
  • Philip S. Salmon

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

Table of contents

  1. Front Matter
    Pages i-xix
  2. Philip S. Salmon, Anita Zeidler
    Pages 1-31
  3. Mauro Boero, Assil Bouzid, Sebastien Le Roux, Burak Ozdamar, Carlo Massobrio
    Pages 33-55
  4. Ider Ronneberger, Riccardo Mazzarello
    Pages 57-85
  5. Liping Huang, John Kieffer
    Pages 87-112
  6. Mark Wilson
    Pages 215-254
  7. M. Micoulaut, M. Bauchy, H. Flores-Ruiz
    Pages 275-311
  8. Assil Bouzid, Sébastien Le Roux, Guido Ori, Christine Tugène, Mauro Boero, Carlo Massobrio
    Pages 313-344
  9. Guido Ori, Carlo Massobrio, Assil Bouzid, B. Coasne
    Pages 345-365
  10. Sebastiano Caravati, Gabriele C. Sosso, Marco Bernasconi
    Pages 415-440
  11. J. M. Skelton, T. H. Lee, S. R. Elliott
    Pages 441-456
  12. Jean-Yves Raty, Céline Otjacques, Rengin Peköz, Vincenzo Lordi, Christophe Bichara
    Pages 485-509
  13. Back Matter
    Pages 525-529

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.


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

Editors and affiliations

  • Carlo Massobrio
    • 1
  • Jincheng Du
    • 2
  • Marco Bernasconi
    • 3
  • Philip S. Salmon
    • 4
  1. 1.IPCMSStrasbourg UniversityStrasbourgFrance
  2. 2.Dept. of Materials Science and EngineeriUniversity of North TexasDentonUSA
  3. 3.Dept. of Materials ScienceUniversity of Milan BicoccaMilanItaly
  4. 4.Dept. of PhysicsUniversity of BathBathUnited Kingdom

Bibliographic information

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