Publication Date:
2011-07-19
Description:
Author(s): L. D. Nguyen, K. L. Baker, and D. H. Warner The combined use of atomistic simulations and transition state theory (TST) has enabled significant improvements in the prediction of thermally activated processes in a wide range of applications, e.g., conformation changes in molecules, chemical reactions, kinetic phase transitions, and solid-state... [Phys. Rev. B 84, 024118] Published Mon Jul 18, 2011
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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