Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
Michele ParrinelloArgonne National Laboratory, Argonne, Illinois 60439A. RahmanArgonne National Laboratory, Argonne, Illinois 60439
1980en
ABI
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.
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Cited by 20 references