[Non-empirical interatomic potentials for transition metals]
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
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Related Subjects
36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALLOYS
ALUMINIUM ALLOYS
CHALCOGENIDES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
DISLOCATIONS
DOCUMENT TYPES
ELECTRONIC STRUCTURE
ELEMENTS
INTERATOMIC FORCES
LINE DEFECTS
METALS
OXIDES
OXYGEN COMPOUNDS
POTENTIALS
PROGRESS REPORT
TRANSITION ELEMENT ALLOYS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
360104* -- Metals & Alloys-- Physical Properties
ALLOYS
ALUMINIUM ALLOYS
CHALCOGENIDES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
DISLOCATIONS
DOCUMENT TYPES
ELECTRONIC STRUCTURE
ELEMENTS
INTERATOMIC FORCES
LINE DEFECTS
METALS
OXIDES
OXYGEN COMPOUNDS
POTENTIALS
PROGRESS REPORT
TRANSITION ELEMENT ALLOYS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS