Published December 1994
| Version v1
Journal article
An empirical many-body potential energy function constructed from pair-interactions
Description
A new empirical potential energy function (PEF) is proposed, which is formed from pair-interactions only, and containes the many-body contributions. The PEF satisfies bulk cohesive energy and bulk stability condition. The PEF is parameterized for copper, silver, and gold elements in fcc crystal structure. The elastic constants C11 and C12 and the bulk modulus of the elements are calculated, and the structural stability and energetics of microclusters containing 3 to 7 atoms of the same elements are investigated. (orig.)
Additional details
Publishing Information
- Journal Title
- Zeitschrift fuer Physik. D, Atoms, Molecules and Clusters
- Journal Volume
- 32
- Journal Issue
- 3
- Journal Page Range
- p. 257-260.
- ISSN
- 0178-7683
- CODEN
- ZDACE2
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 26031496
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- COPPER; CRYSTAL STRUCTURE; ELASTICITY; FCC LATTICES; GOLD; MANY-BODY PROBLEM; MONOCRYSTALS; PAIRING INTERACTIONS; POTENTIAL ENERGY; SILVER; SOLID CLUSTERS; TEMPERATURE DEPENDENCE
- Descriptors DEC
- CRYSTAL LATTICES; CRYSTALS; CUBIC LATTICES; ELEMENTS; ENERGY; INTERACTIONS; MECHANICAL PROPERTIES; METALS; TRANSITION ELEMENTS