The energetics of ordered intermetallic alloys (of the transition metals)

Conference · Thu Oct 01 00:00:00 EDT 1992

OSTI ID:10189836

Watson, R E; Weinert, M; Davenport, J W ^[1]; Fernando, G W ^[2]; Bennett, L H ^[3]

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1. Brookhaven National Lab., Upton, NY (United States)
2. Connecticut Univ., Storrs, CT (United States). Dept. of Physics
3. National Inst. of Standards and Technology, Gaithersburg, MD (United States). Metallurgy Div.

The atomically ordered phases in ordered transition metal alloys are discussed. This chapter is divided into: physical parameters controlling phase stability (Hume-Rothery, structural maps, Miedema Hamiltonian), wave functions & band theory, comment on entropy terms, cohesive energies (electron promotion energies, Hund`s rule on orbital effects), structural energies/stabilities of elemental solids, total energies and atomic positions, charge transfer (Au alloys, charge tailing), heats of formation of ordered compounds.

• Research Organization: Brookhaven National Lab., Upton, NY (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States); National Energy Research Supercomputer Center (United States)
• DOE Contract Number: AC02-76CH00016
• OSTI ID: 10189836
• Report Number(s): BNL-47976; CONF-9206202-4; ON: DE93001968
• Resource Relation: Conference: NATO advanced study institute on statics and dynamics of alloy phase transformations,Rhodes (Greece),21 Jun - 3 Jul 1992; Other Information: PBD: [1992]
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
TRANSITION ELEMENT ALLOYS
INTERMETALLIC COMPOUNDS
BAND THEORY
FORMATION HEAT
HAMILTONIANS
WAVE FUNCTIONS
ENTROPY
ELECTRONIC STRUCTURE
PHASE STABILITY
CHARGE TRANSPORT
CRYSTAL LATTICES
360102
360104
665000
STRUCTURE AND PHASE STUDIES
PHYSICAL PROPERTIES
PHYSICS OF CONDENSED MATTER