Coalescence of Nanoscale Islands during Polycrystalline Thin Film Growth
We describe a simulation framework designed to track individual grains in a material during simulations of their formation and processing. The framework employs a “grain continuum” model of films [Cale et al., Comp. Mat. Sci. 23 (3), (2002)] and can be used to complement discrete atomistic simulations, and link their results to continuum simulations. We demonstrate the use of multiplelevelset methods to track islands nucleated on substrates, during growth and impingement to form polycrystalline films. We briefly discuss how this simulation tool might be used in an integrated multiscale process simulation environment [Bloomfield et al., Electrochem. Soc. PV2001–24, pp.77–84, 2001] to establish a link from atomistic simulations upward to feature, pattern, and reactor scale simulations.
Key wordsgrain structure computer simulation level set methods multiscale
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