High-pressure ion-thermal properties of metals from ab initio interatomic potentials

Conference · Sat Jun 01 00:00:00 EDT 1985

OSTI ID:5455890

Moriarty, J A

It has recently become possible for the first time to calculate ab initio two-ion and three-ion interatomic potentials in d-electron transition metals. The nature of these potentials for the 3d series metals is discussed. In the case of copper, where three-ion contributions may be neglected, application is made to the ion-thermal component of the equation of state and to the calculation of melting on the shock Hugoniot. 13 refs., 3 figs.

• Research Organization: Lawrence Livermore National Lab., CA (USA)
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5455890
• Report Number(s): UCRL-92899; CONF-850736-55; ON: DE85016079
• Resource Relation: Conference: American Physical Society topical conference on shock waves in condensed matter, Spokane, WA, USA, 22 Jul 1985
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COPPER
INTERATOMIC FORCES
MELTING
TRANSITION ELEMENTS
COMPRESSION
D STATES
EQUATIONS OF STATE
MUFFIN-TIN POTENTIAL
SHOCK WAVES
THEORETICAL DATA
DATA
ELEMENTS
ENERGY LEVELS
EQUATIONS
INFORMATION
METALS
NUMERICAL DATA
PHASE TRANSFORMATIONS
POTENTIALS
360104* - Metals & Alloys- Physical Properties
656000 - Condensed Matter Physics