Complex fluid-dynamical phenomena modeled by large-scale molecular-dynamics simulations

被引:19
作者
Alda, W [1 ]
Dzwinel, W
Kitowski, J
Moscinski, J
Pogoda, M
Yuen, DA
机构
[1] Stanislaw Staszic Univ Min & Met, AGH, Inst Comp Sci, PL-30059 Krakow, Poland
[2] CYFRONET Krakow, Acad Comp Ctr, PL-30950 Krakow, Poland
[3] Univ Minnesota, Minnesota Supercomp Inst, Dept Geol & Geophys, Minneapolis, MN 55415 USA
来源
COMPUTERS IN PHYSICS | 1998年 / 12卷 / 06期
关键词
D O I
10.1063/1.168741
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
We carried out large-scale molecular-dynamics simulations of the classical Rayleigh-Taylor (RT) phenomenon in a Lennard-Jones molecular liquid. We have observed from these simulations, involving 10(6)-10(7) particles, the development of hydrodynamic instabilities from two different kinds of interacting particles. A free surface is introduced by deploying an overlying void. For a box with a dimension up to about 1 mu m and two layers having different particle sizes, the fingering type of instability is observed as a result of oscillations caused by the gravitational field. In this gridless scheme, surface waves can be captured self-consistently. For equally sized particles, a spontaneous "fluctuation driven" mixing with a long start-up time is observed. These molecular-dynamics results suggest the possibilities of upscaling the RT phenomenon. For conducting these numerical experiments, which require at least similar to 10(5) time steps, a single simulation would require 100-200 Tflops of massively parallel computer power. (C) 1998 American Institute of Physics. [S0894-1866(98)01606-X].
引用
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页码:595 / 600
页数:6
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