arXiv subjects

P. Smereka

Publications and source records attributed to P. Smereka.

2 recordsLinked to original sources

arXiv2005

Multiscale Kinetic Monte-Carlo for Simulating Epitaxial Growth

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 D/F.

cond-mat.mtrl-sci↗

arXiv2003

A Hybrid Monte Carlo Method for Surface Growth Simulations

We introduce an algorithm for treating growth on surfaces which combines important features of continuum methods (such as the level-set method) and Kinetic Monte Carlo (KMC) simulations. We treat the motion of adatoms in continuum theory, but attach them to islands one atom at a time. The technique is borrowed from the Dielectric Breakdown Model. Our method allows us to give a realistic account of fluctuations in island shape, which is lacking in deterministic continuum treatments and which is an important physical effect. Our method should be most important for problems close to equilibrium where KMC becomes impractically slow.

cond-mat.mtrl-sci↗