Evolution of 2D Potts Model Grain Microstructures from an Initial Hillert Size Distribution

Grain growth experiments and simulations exhibit self-similar grain size distributions quite different from that derived via a mean field approach by Hillert [ 1]. To test whether this discrepancy is due to insufficient anneal times, two different two-dimensional grain structures with realistic topologies and Hillert grain size distributions are generated and subjected to grain growth via the Monte Carlo Potts Model (MCPM). In both cases, the observed self-similar grain size distributions deviate from the initial Hillert form and conform instead to that observed in MCPM grain growth simulations that start from a random microstructure. This suggests that the Hillert grain size distribution is not an attractor

Evolution of 2D Potts Model Grain Microstructures from an Initial Hillert Size Distribution

Grain growth experiments and simulations exhibit self-similar grain size distributions quite different from that derived via a mean field approach by Hillert [ 1]. To test whether this discrepancy is due to insufficient anneal times, two different two-dimensional grain structures with realistic topologies and Hillert grain size distributions are generated and subjected to grain growth via the Monte Carlo Potts Model (MCPM). In both cases, the observed self-similar grain size distributions deviate from the initial Hillert form and conform instead to that observed in MCPM grain growth simulations that start from a random microstructure. This suggests that the Hillert grain size distribution is not an attractor

Point Defect Incorporation During Diamond Chemical Vapor Deposition

The incorporation of vacancies, H atoms, and sp{sup 2} bond defects into single-crystal homoepitaxial (100)(2x1)- and(111)-oriented CVD diamond was simulated by atomic-scale kinetic Monte Carlo. Simulations were performed for substrate temperatures from 600 C to 1200 C with 0.4% CH{sub 4} in the feed gas, and for 0.4% to 7% CH{sub 4} feeds with a substrate temperature of 800 C. The concentrations of incorporated H atoms increase with increasing substrate temperature and feed gas composition, and sp{sup 2} bond trapping increases with increasing feed gas composition. Vacancy concentrations are low under all conditions. The ratio of growth rate to H atom concentration is highest around 800-900 C, and the growth rate to sp{sup 2} ratio is maximum around 1% CH{sub 4}, suggesting that these conditions are ideal for economical diamond growth under the simulated conditions