Study of. beta. - and. beta. ''-aluminas by means of potential-energy calculations

Conference · Thu Jan 01 04:00:00 EST 1981

OSTI ID:5265106

Wang, J C; Bates, J B; Dudney, N J; Engstrom, H

Potential energy calculations using Coulomb, short-range repulsive, and polarization energy terms have been made to study the conduction mechanism, the mixed-ion effects and charge compensation mechanisms in ..beta..-aluminas, and the conduction mechanism and non-Arrhenian behavior in ..beta..''-aluminas. It is concluded that the interstitialcy cation pairs are important to properties of ..beta..-aluminas, while the interacting nearly-free cation vacancies are important to properties of ..beta..''-aluminas.

• Research Organization: Oak Ridge National Lab., TN (USA)
• DOE Contract Number: W-7405-ENG-26
• OSTI ID: 5265106
• Report Number(s): CONF-810566-10; ON: DE82017412
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
360204 -- Ceramics
Cermets
& Refractories-- Physical Properties
656000 -- Condensed Matter Physics
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM COMPOUNDS
ALUMINIUM OXIDES
CALCULATION METHODS
CATIONS
CHALCOGENIDES
CHARGED PARTICLES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTROLYTES
ENERGY
IONIC CONDUCTIVITY
IONS
OXIDES
OXYGEN COMPOUNDS
OXYGEN IONS
PHYSICAL PROPERTIES
POINT DEFECTS
POTASSIUM IONS
POTENTIAL ENERGY
SOLID ELECTROLYTES
VACANCIES