Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/33751
Title: Interatomic potentials and atomistic calculations of some metal hydride systems
Authors: Liu, SJ
Shi, SQ 
Huang, H
Woo, CH 
Issue Date: 2002
Source: Journal of alloys and compounds, 2002, v. 330-332, p. 64-69
Abstract: The effective interatomic pair potentials and atomistic calculations of metal hydride systems were presented. The interatomic potentials were obtained by inverting the ab initio cohesive energy curves based on the lattice inversion method. The inverted pair potentials were used to calculate the mechanical and thermal properties of the hydrides.
Keywords: Ab initio interatomic potential calculations
Inverted pair potentials
Metal hydrides
Publisher: Elsevier
Journal: Journal of alloys and compounds 
ISSN: 0925-8388
DOI: 10.1016/S0925-8388(01)01451-7
Description: Proceedings of the International Symposium on Metal-Hydrogen (MH 2000), Noosa Heads, QLD, 1-6 October 2000
Appears in Collections:Conference Paper

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