[Non-empirical interatomic potentials for transition metals]. Progress report

Technical Report · Sat May 01 00:00:00 EDT 1993

DOI:https://doi.org/10.2172/10149038· OSTI ID:10149038

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: USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-84ER45130
• OSTI ID: 10149038
• Report Number(s): DOE/ER/45130-8; ON: DE93013705
• Resource Relation: Other Information: PBD: [1993]
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
INTERATOMIC FORCES
POTENTIALS
TRANSITION ELEMENTS
PROGRESS REPORT
ALUMINIUM ALLOYS
ELECTRONIC STRUCTURE
TRANSITION ELEMENT COMPOUNDS
OXIDES
CRYSTAL DEFECTS
DISLOCATIONS
TRANSITION ELEMENT ALLOYS
360104
PHYSICAL PROPERTIES