Monte Carlo simulation of cation diffusion via vacancies in quasibinary spinel solid solutions involving multiple types of cation-vacancy exchanges

Journal Article · Fri Jul 15 04:00:00 EDT 1994 · Journal of Applied Physics; (United States)

DOI:https://doi.org/10.1063/1.357760· OSTI ID:7284167

Lu, F; Franke, P; Nichols, C S; Dieckmann, R ^[1]

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

Previously [F.-H. Lu, P. Franke, C. S. Nichols, and R. Dieckmann, J. Appl. Phys. [bold 75], 819 (1994)], the correlation factors of cations and vacancies diffusing by a vacancy mechanism in quasibinary spinel solid solutions were reported for cases in which only one type of cation-vacancy exchange prevails. Cases involving significant contributions from more than one type of cation-vacancy exchange are considered for quasibinary spinel solid solutions of the type (A[sub 1[minus][ital x]]B[sub [ital x]])[sub 3[minus][delta]]O[sub 4] and their binary end members, for very small values of [delta]. Correlation factors for the cations A and B and for cation vacancies have been determined for different frequency combinations and different vacancy and cation distributions as a function of the cationic composition [ital x]. In cases where no cation-vacancy exchanges occur between the octahedral and tetrahedral sublattices, the simulation results can be related to correlation factors for different diffusion processes involving only one type of cation-vacancy exchange.

• DOE Contract Number: FG02-88ER45357
• OSTI ID: 7284167
• Journal Information: Journal of Applied Physics; (United States), Journal Name: Journal of Applied Physics; (United States) Vol. 76:2; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

661300* -- Other Aspects of Physical Science-- (1992-)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CALCULATION METHODS
CATIONS
CHARGED PARTICLES
COMPUTERIZED SIMULATION
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
DIFFUSION
DISPERSIONS
IONS
MINERALS
MIXTURES
MONTE CARLO METHOD
OXIDE MINERALS
POINT DEFECTS
SIMULATION
SOLID SOLUTIONS
SOLUTIONS
SPINELS
VACANCIES