Molecular Dynamics Simulations

These proceedings provide an up-to-date overview of a technique with great potential in condensed matter physics: molecular dynamics silmulations. Leading experts in the field contribute reviews and research reports.

Inhalt
I Introduction.- to This Volume.- The Development of Molecular Dynamics Simulations in the 1980s.- II Supercooled Liquid and Glass Transition.- Molecular Dynamics Studies of Diffusion in Liquids.- Molecular Dynamics Study of Self-Diffusion and the Liquid-Glass Transition.- Molecular Dynamics Study of Fluctuation and Relaxation in Disordered Systems Liquid and Glass.- III Oxides and Multi-component Materials.- Molecular Dynamics Simulation of Amorphous Silica.- Pressure-Induced Structural Transformations and Diffusion Mechanism in Silica.- Interatomic Potential Models for Molecular Dynamics Simulations of Multi-component Oxides.- Transport and Dynamical Correlations in Glassy States and the LiquidGlass Transition of Li2SiO3.- IV Fluids and Hydrodynamics.- Simulation of Sub-molecular and Supra-molecular Fluids.- Dynamics of Liquid Water: Fluctuations and Collective Motions.- Ab Initio Hydrodynamics via Atomistic Simulation.- V Ab Initio Molecular Dynamics Simulations.- Ab Initio Molecular Dynamics.- Density-Functional Molecular Dynamics Calculations for Defects in Si and Al.- Optimum Adsorption Sites and Electronic Structure of Alkali-Adsorbed Si(001) Surfaces.- Full Potential KKR: Applicability to Simulated Annealing Model.- Application of the Car-Parrinello Molecular Dynamics to Some Microclusters.- VI Nonequilibrium Molecular Dynamics.- Response Theory, Lyapunov Instability and Rheology.- Two-Phase Coexistence of String and Liquid Phases in Planar Couette Flow.- VII Interfaces and Ionic Conductors.- Simulation Studies of Interfacial Phenomena Melting, Stress Relaxation and Fracture.- Computer Experiments on Systems Containing Surfactants.- Collective Motion and Mechanism of Diffusion in Superionic Conductors.- Index of Contributors.