Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
- 6 October 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 45 (14), 1196-1199
- https://doi.org/10.1103/physrevlett.45.1196
Abstract
With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials lead to different crystal structures.Keywords
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