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Computer Simulation of Irreversible Expansions via Molecular Dynamics, Smooth Particle Applied Mechanics, Eulerian, and Lagrangian Continuum Mechanics
Authors:Wm. G. Hoover  H. A. Posch  V. M. Castillo  C. G. Hoover
Affiliation:(1) Department of Applied Science, University of California at Davis/Livermore, and Lawrence Livermore National Laboratory, Livermore, California, 94551-7808;(2) Institut für Experimentalphysik, Universität Wien, A-1090 Vienna, Austria;(3) Methods Development Group, Mechanical Engineering Department, Lawrence Livermore National Laboratory, Livermore, California, 94551-7808
Abstract:We simulate the far-from-equilibrium irreversible expansion of a compressed ideal gas in two space dimensions. For this problem the particle trajectories from conventional smooth particle applied mechanics are isomorphic to those from a corresponding molecular dynamics simulation. The smooth-particle ldquoweight functionrdquo used to describe the expanding gas is identical to the pair potential governing the molecular dynamics simulation. These many-body particle simulations are compared with those using a modified smooth-particle algorithm invented by Monaghan, as well as with those based on conventional grid-based Eulerian and Lagrangian methods.
Keywords:irreversible expansion  smooth particles  Eulerian continuum mechanics  Lagrangian continuum mechanics
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