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U.S. Department of Energy
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[Non-empirical interatomic potentials for transition metals]

Technical Report ·
DOI:https://doi.org/10.2172/6570400· OSTI ID:6570400
The report is divided into the following sections: potential-energy functions for d-band metals, potential-energy functions for aluminides and quasicrystals, electronic structure of complex structures and quasicrystals, potential-energy functions in transition-metal oxides, applications to defect structure and mechanical properties, and basic theory of interatomic potentials.
Research Organization:
Washington Univ., St. Louis, MO (United States). Dept. of Physics
Sponsoring Organization:
DOE; USDOE, Washington, DC (United States)
DOE Contract Number:
FG02-84ER45130
OSTI ID:
6570400
Report Number(s):
DOE/ER/45130-8; ON: DE93013705
Country of Publication:
United States
Language:
English