Publication Date:
2012-06-22
Description:
Author(s): Hyoungki Park, Michael R. Fellinger, Thomas J. Lenosky, William W. Tipton, Dallas R. Trinkle, Sven P. Rudin, Christopher Woodward, John W. Wilkins, and Richard G. Hennig Density-functional theory energies, forces, and elastic constants determine the parametrization of an empirical, modified embedded-atom method potential for molybdenum. The accuracy and transferability of the potential are verified by comparison to experimental and density-functional data for point ... [Phys. Rev. B 85, 214121] Published Thu Jun 21, 2012
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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