Framework Design, Parallelization and Force Computation in Molecular Dynamics
نویسنده
چکیده
We have performed constant temperature two-dimensional molecular dynamicssimulations of a binary Lennard-Jones material, representing an idealized metallic alloy or amaterial containing a specified fraction of an additive atomic species. Differences in the interatomicpotentials between the atomic species can lead to clustering of the alloy atoms. An exponentialdistribution of cluster size is obtained as time approaches infinity. For sufficiently strong attractionsthe distribution of cluster sizes becomes nearly independent of the force and the attained maximumcluster size reaches a saturation level.
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