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Rankine-Hugoniot Relations for Lennard-Jones Liquids
Publisher: The American Society of Mechanical Engineers (ASME)
Abstract: The purpose of the present study is to clarify the Rankine-Hugoniot relations for Lennard-Jones liquids. First, Monte Carlo simulations are conducted to evaluate the state quantities such as the ...
Stability of Various Molecular Dynamics Algorithms
Publisher: The American Society of Mechanical Engineers (ASME)
Molecular Dynamics Simulations on Internal Structures of Normal Shock Waves in Lennard-Jones Liquids
Publisher: The American Society of Mechanical Engineers (ASME)
Abstract: The present paper describes a highly efficient method for simulating the generation of shock waves in liquids by using the periodic-shell boundary condition, which is an outer boundary condition ...
Stability of Computational Algorithms Used in Molecular Dynamics Simulations
Publisher: The American Society of Mechanical Engineers (ASME)
Abstract: The present study focuses on a three-dimensional Lennard-Jones system in a thermodynamic equilibrium in order to discuss divergence processes, the relationship between time intervals and divergence ...