A two‐dimensional model for molecular condensed matter phases is proposed, based on triatomic triangular molecules. The governing potential function is carefully chosen to give many different structures with the same crystal potential. Part of a molecular dynamics teaching project is presented, showing that a number of these structures occur naturally in a simulation. This form of computational project well suits parallel computation, and the present results were obtained on an AMT DAP computer. Further possibilities for this model are presented, some of which involve the ideas of quasicrystals.
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Research Article| September 01 1991
A simple model for the molecular dynamics of condensed phases
G. S. Pawley; A simple model for the molecular dynamics of condensed phases. Comput. Phys. 1 September 1991; 5 (5): 479–482. https://doi.org/10.1063/1.168399
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