Icosahedral and crystalline coordination of atoms in simple liquids

Journal Article · Sun May 01 04:00:00 EDT 1988 · Melts; (United States)

OSTI ID:6100104

Medvedev, N N; Voloshin, V P; Naberukhin, Yu I

Voronoi polyhedra and Delone simplexes generated by the Monte Carlo method are studied for Lennard-Jones liquids. An analysis of their topological and metric properties indicates the virtual absence of icosahedral and crystalline coordination of atoms. Aggregates of almost regular tetrahedral configurations are a typical feature of the liquid structure and are distributed such that the tetrahedra have common faces and, as a result, form branched complexes.

• OSTI ID: 6100104
• Journal Information: Melts; (United States), Journal Name: Melts; (United States) Vol. 1:1; ISSN MLTSE
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals & Alloys-- Structure & Phase Studies
ATOMIC MODELS
ATOMS
CRYSTAL LATTICES
CRYSTAL MODELS
CRYSTAL STRUCTURE
CRYSTALS
DISTANCE
ELEMENTS
FLUCTUATIONS
FLUIDS
INTERACTION RANGE
INTERATOMIC FORCES
ISOTOPE RATIO
LENNARD-JONES POTENTIAL
LIQUID CRYSTALS
LIQUID METALS
LIQUIDS
MATHEMATICAL MODELS
MATHEMATICS
METALS
MONTE CARLO METHOD
NUCLEATION
ORDER PARAMETERS
POTENTIALS
TOPOLOGY
VARIATIONS