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Efficient Parallel Monte-Carlo Simulations for Large-Scale Studies of Surface Growth Processes

Kelling, J.

Lattice Monte Carlo methods are used to investigate far from and out-of-equilibrium systems, including surface growth, spin systems and solid mixtures. Applications range from the determination of universal growth or aging behaviors to palpable systems, where coarsening of nanocomposites or self-organization of functional nanostructures are of interest. Such studies require observations of large systems over long times scales, to allow structures to grow over orders of magnitude, which necessitates massively parallel simulations.

This work addresses the problem of parallel processing introducing correlations in Monte Carlo updates and proposes a virtually correlation-free domain decomposition scheme to solve it. The effect of correlations on scaling and dynamical properties of surface growth systems and related lattice gases is investigated further by comparing results obtained by correlation-free and intrinsically correlated but highly efficient simulations using a stochastic cellular automaton (SCA). Efficient massively parallel implementations on graphics processing units (GPUs) were developed, which enable large-scale simulations leading to unprecedented precision in the final results.

The primary subject of study is the Kardar–Parisi–Zhang (KPZ) surface growth in (2 + 1) dimensions, which is simulated using a dimer lattice gas and the restricted solid-on-solid model (RSOS) model. Using extensive simulations, conjectures regarding growth, autocorrelation and autoresponse properties are tested and new precise numerical predictions for several universal parameters are made.

Keywords: lattice Monte Carlo; surface growth; ballistic deposition; physical aging; Kardar–Parisi–Zhang; lattice gas; parallel processing; domain decomposition; GPU

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