Molecular Dynamics Simulations of Disordered Materials
From Network Glasses to Phase-Change Memory Alloys
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Beschreibung
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.
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.
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
Autor*in
Carlo Massobrio
Themen in »Molecular Dynamics Simulations of Disordered Materials«
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 Molecular Dynamics Network Glasses Structural Properties of Materials Structure of Glasses Topology and Igidity of Glasses