Titlebook: Condensed Matter Theories; Volume 2 P. Vashishta,Rajiv K. Kalia,R. F. Bishop Book 1987 Plenum Press, New York 1987 Metall.alloy.condensed m

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Study of Dynamical Properties of Dense Soft Sphere Fluids and Glasses by Molecular Dynamics in a fluid state for long periods of time. If either the density of the supercooled liquid is high enough or the temperature is low enough, the liquid forms a glass. Perhaps the most striking recent theoretical development of the glass transition is due to the mode coupling theory, which predicts t

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Structure of a One-Component Plasma in an External Field: A Molecular Dynamics Study of Particle Arrhe Hamiltonian used confines the plasma in the directions lateral to the direction of travel in the ring in the frame of reference which is moving with the beam. The results show an unexpected stratification of density in the lateral direction, and a tendency towards a first-neighbor coordination of

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Calculation of Elastic Constants Using Molecular Dynamicsts are contained in a formula involving fluctuations in the microscopic stress tensor. M., in the microcanonical or EhN ensemble, whereas the isothermal elastic constants are contained in a fluctuation formula of the same form in the canonical or ThN ensemble. Here, E is the system energy, h is a 3x

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Fragmentation and Structure of Silicon Microclystersantly 13-, 55-, etc. atom clusters explained by stable icosahedral packing.. More recently there has been an effort to determine the geometrical arrangements and electronic configurations for Group IV elements, C, Si, Ge and Sn.. Silicon and germanium have both been found to form unusually stable 6-

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Computer Simulation of “Special” Grain Boundaries in Metals and Ionic Materialsroperties of grain boundaries in metals and predominantly ionic ceramic materials. In contrast to metals, long-range Coulomb forces between the ions have to be considered in ionic bicrystals. The selection criteria for the identification of “special” (i.e., low-energy) grain boundaries (GBs) is disc

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