Dimension-splitting for simplifying diffusion in lattice-gas models

被引:12
作者
D'Souza, RM
Margolus, NH
Smith, MA
机构
[1] Bell Labs, Murray Hill, NJ 07974 USA
[2] Boston Univ, Ctr Computat Sci, Boston, MA 02215 USA
[3] MIT, Artificial Intelligence Lab, Cambridge, MA 02139 USA
[4] Harvard Univ, Dept Mol & Cellular Biol, Cambridge, MA 02138 USA
[5] New England Complex Syst Inst, Cambridge, MA 02138 USA
关键词
dimension-splitting; diffusion; lattice-gas automata; transport theory; alternating direction method; microscopic reversibility; parallel computing; fractional timestep method;
D O I
10.1023/A:1014587326991
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We introduce a simplified technique for incorporating diffusive phenomena into lattice-gas molecular dynamics models. In this method, spatial interactions take place one dimension at a time, with a separate fractional timestep devoted to each dimension, and with all dimensions treated identically. We show that the model resulting from this technique is equivalent to the macroscopic diffusion equation in the appropriate limit. This technique saves computational resources and reduces the complexity of model design, programming, debugging, simulation and analysis. For example, a reaction-diffusion simulation can be designed and tested as a one-dimensional system, and then directly extended to two or more dimensions. We illustrate the use of this approach in constructing a microscopically reversible model of diffusion-limited aggregation as well as in a model of growth of biological films.
引用
收藏
页码:401 / 422
页数:22
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