Massobrio C., Du J., Bernasconi M., Salmon P.S. (Eds.) Molecular Dynamics Simulations of Disordered Materials: From Network Glasses to Phase-Change Memory Alloys

Springer International Publishing, Switzerland, 2015. – 540. – ISBN10: 3319156748This 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.The Atomic-Scale Structure of Network Glass-Forming Materials
First-Principles Molecular Dynamics Methods: An Overview
Metadynamics Simulations of Nucleation
Challenges in Modeling Mixed Ionic-Covalent Glass Formers
Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective
Recrystallization of Silicon by Classical Molecular Dynamics
Challenges in Molecular Dynamics Simulations of Multicomponent Oxide Glasses
Structural Insight into Transition Metal Oxide Containing Glasses by Molecular Dynamic Simulations
Modelling Networks in Varying Dimensions
Rationalizing the Biodegradation of Glasses for Biomedical Applications Through Classical and Ab-initio Simulations
Topological Constraints, Rigidity Transitions, and Anomalies in Molecular Networks
First-Principles Modeling of Binary Chalcogenides: Recent Accomplishments and New Achievements
Molecular Modeling of Glassy Surfaces
Rings in Network Glasses: The B2O3 Case
Functional Properties of Phase Change Materials from Atomistic Simulations
Ab Initio Molecular-Dynamics Simulations of Doped Phase-Change Materials
The Prototype Phase Change Material Ge2Sb2Te5 : Amorphous Structure and Crystallization
Amorphous Phase Change Materials: Structure, Stability and Relation with Their Crystalline Phase
Transition Metals in Phase-Change Memory Materials: Impact upon Crystallization