Computer simulation of vacancy segregation at antiphase domain boundaries during coarsening

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Abstract

A computer simulation technique based on the Master Equation (MEM) is developed for modeling the spatial distribution of vacancies during ordering and subsequent domain coalescence and coarsening. A vacancy mechanism is assumed for the atomic diffusion and the single-site approximation employed. It is demonstrated that vacancies strongly segregate into the antiphase domain boundaries (APBs) during coarsening, resulting in the vacancy concentration at APBs more than an order of magnitude higher than that inside the ordered domains. As the antiphase domains coarsen, the vacancy concentration at the APBs continues to increase and its spatial segregation profile moves accompanying the APB migration. The effect of vacancy concentration on the antiphase domain coarsening kinetics is discussed.

Original languageEnglish (US)
Pages (from-to)375-380
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
Volume319
StatePublished - 1994

Fingerprint

antiphase boundaries
Coarsening
Vacancies
computerized simulation
Computer simulation
Mars Excursion Module
Coalescence
coalescing
Spatial distribution
spatial distribution
Kinetics
kinetics
profiles
approximation

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials

Cite this

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abstract = "A computer simulation technique based on the Master Equation (MEM) is developed for modeling the spatial distribution of vacancies during ordering and subsequent domain coalescence and coarsening. A vacancy mechanism is assumed for the atomic diffusion and the single-site approximation employed. It is demonstrated that vacancies strongly segregate into the antiphase domain boundaries (APBs) during coarsening, resulting in the vacancy concentration at APBs more than an order of magnitude higher than that inside the ordered domains. As the antiphase domains coarsen, the vacancy concentration at the APBs continues to increase and its spatial segregation profile moves accompanying the APB migration. The effect of vacancy concentration on the antiphase domain coarsening kinetics is discussed.",
author = "Long-qing Chen",
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AB - A computer simulation technique based on the Master Equation (MEM) is developed for modeling the spatial distribution of vacancies during ordering and subsequent domain coalescence and coarsening. A vacancy mechanism is assumed for the atomic diffusion and the single-site approximation employed. It is demonstrated that vacancies strongly segregate into the antiphase domain boundaries (APBs) during coarsening, resulting in the vacancy concentration at APBs more than an order of magnitude higher than that inside the ordered domains. As the antiphase domains coarsen, the vacancy concentration at the APBs continues to increase and its spatial segregation profile moves accompanying the APB migration. The effect of vacancy concentration on the antiphase domain coarsening kinetics is discussed.

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