Molecular dynamics, smoothed-particle applied mechanics, and irreversibility

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We explore the relationship of Monaghan's version of "smoothed-particle hydrodynamics," here called "smoothed-particle applied mechanics," to nonequilibrium molecular dynamics. We first use smoothed particles to model the simplest possible linear transport problems, as well as a liquid-drop problem. We then consider both gas-phase and dense-fluid versions of Rayleigh-Bénard convection, all in two space dimensions. We also discuss the possibility of combining the microscopic and macroscopic techniques in a hybrid scheme well-suited to the massively-parallel modelling of large-scale nonequilibrium flows. © 1994.




Hoover, W. G., Pierce, T. G., Hoover, C. G., Shugart, J. O., Stein, C. M., & Edwards, A. L. (1994). Molecular dynamics, smoothed-particle applied mechanics, and irreversibility. Computers and Mathematics with Applications, 28(10–12), 155–174.

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