Molecular Dynamical Calculations of Energy Transport in Solids.
Final rept. 1 Aug 75-31 Jul 78,
NATIONAL BUREAU OF STANDARDS WASHINGTON D C
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Using molecular dynamics, a study was made of the transport of energy in perfect, crystalline solids subjected to heating and to mechanical compression. Two aspects were emphasized in the approach to these problems. 1 careful evaluation of the validity of the model and 2 detailed analyses of the mechanisms of energy transport and energy sharing. This report summarizes the results of the study. The conclusion reached indicates that many features related to the transport of energy in the model are indeed realistic and therefore it is of interest to study the mechanisms involved with a view to gaining a more detailed understanding of the process of energy sharing and of approach to equilibrium. Author