Correlation factors for diffusion in binary random alloys with fcc structure

Journal Article · Mon Jul 15 04:00:00 EDT 1991 · Journal of Applied Physics; (USA)

DOI:https://doi.org/10.1063/1.349635· OSTI ID:5555073

Franke, P; Dieckmann, R ^[1]

---

1. Department of Materials Science and Engineering, Bard Hall, Cornell University, Ithaca, New York 14853-1501 (US)

Tracer correlation factors have been calculated by simulating the diffusion of atoms and defects on a computer using a Monte Carlo technique. The correlated motion of the atomic species by a vacancy mechanism have been investigated for a binary random alloy with fcc structure. The tracer correlation factors for the atoms, {ital f}{sub {ital A}} and {ital f}{sub {ital B}}, and for the vacancies, {ital f}{sub {ital V}}, are calculated as functions of the jump frequencies, and the mixing ratio of {ital A} and {ital B} atoms for vacancy concentrations of {ital c}{sub {ital V}} = 0.001 and 0.1. The results are compared with theories and Monte Carlo simulations from the literature. Substantial discrepancies with previous Monte Carlo studies are observed. It is concluded that the correlation factors given in the literature are systematically too high because the jump sequences in those calculations were too short.

• DOE Contract Number: FG02-88ER45357
• OSTI ID: 5555073
• Journal Information: Journal of Applied Physics; (USA), Journal Name: Journal of Applied Physics; (USA) Vol. 70:2; ISSN 0021-8979; ISSN JAPIA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
656000 -- Condensed Matter Physics
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALLOY SYSTEMS
ATOM TRANSPORT
BINARY ALLOY SYSTEMS
COMPUTERIZED SIMULATION
CORRELATION FUNCTIONS
FUNCTIONS
MONTE CARLO METHOD
NEUTRAL-PARTICLE TRANSPORT
RADIATION TRANSPORT
SIMULATION