Multiscale kinetic Monte Carlo algorithm for simulating epitaxial growth

Jason P. DeVita, Leonard M. Sander, and Peter Smereka
Phys. Rev. B 72, 205421 – Published 15 November 2005

Abstract

We present a fast Monte Carlo algorithm for simulating epitaxial surface growth, based on the continuous-time Monte Carlo algorithm of Bortz, Kalos, and Lebowitz. When simulating realistic growth regimes, much computational time is consumed by the relatively fast dynamics of the adatoms. Continuum and continuum-discrete hybrid methods have been developed to approach this issue; however, in many situations, the density of adatoms is too low to efficiently and accurately simulate as a continuum. To solve the problem of fast adatom dynamics, we allow adatoms to take larger steps, effectively reducing the number of transitions required. We achieve nearly a factor of ten speed up, for growth at moderate temperatures and large DF.

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  • Received 29 April 2005

DOI:https://doi.org/10.1103/PhysRevB.72.205421

©2005 American Physical Society

Authors & Affiliations

Jason P. DeVita* and Leonard M. Sander

  • Physics Department, University of Michigan, Ann Arbor, Michigan 48109-1040, USA

Peter Smereka

  • Department of Mathematics, University of Michigan, Ann Arbor, Michigan 48109-1043, USA

  • *Electronic address: jdevita@umich.edu
  • Electronic address: lsander@umich.edu
  • Electronic address: psmereka@umich.edu

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Issue

Vol. 72, Iss. 20 — 15 November 2005

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