Structural models for amorphous transition metal binary alloys. [Radial distribution functions, density]

Conference · Thu Jan 01 04:00:00 EST 1976

OSTI ID:7330728

Ching, W. Y.; Lin, C. C.

A dense random packing of 445 hard spheres with two different diameters in a concentration ratio of 3 : 1 was hand-built to simulate the structure of amorphous transition metal-metalloid alloys. By introducing appropriate pair potentials of the Lennard-Jones type, the structure is dynamically relaxed by minimizing the total energy. The radial distribution functions (RDF) for amorphous Fe/sub 0/./sub 75/P/sub 0/./sub 25/, Ni/sub 0/./sub 75/P/sub 0/./sub 25/, Co/sub 0/./sub 75/P/sub 0/./sub 25/ are obtained and compared with the experimental data. The calculated RDF's are resolved into their partial components. The results indicate that such dynamically constructed models are capable of accounting for some subtle features in the RDF of amorphous transition metal-metalloid alloys.

• Research Organization: Argonne National Lab., IL (USA)
• Sponsoring Organization: USDOE
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 7330728
• Report Number(s): CONF-760845--3
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
AMORPHOUS STATE
COBALT COMPOUNDS
COBALT PHOSPHIDES
DENSITY
DIMENSIONS
DISTRIBUTION FUNCTIONS
IRON COMPOUNDS
IRON PHOSPHIDES
LENNARD-JONES POTENTIAL
NICKEL COMPOUNDS
NICKEL PHOSPHIDES
PHOSPHIDES
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
SPHERES
STRUCTURAL MODELS
TRANSITION ELEMENT COMPOUNDS