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 s...

The effects of long-range ~Lévy! diffusion in submonolayer epitaxial growth are studied via kinetic Monte Carlo simulations and rate equations. Such long-range diffusion may be relevant in the case of liquid-phase epitaxy and electrochemical deposition. Results for the scaling of the submonolayer island density and size distribution are presented as a function of the Lévy distribution exponent ...

KineticMonte Carlo (KMC) simulations are used to study long-time dynamics of awide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inversely proportional to the simulated system size. A promising approach to resolving this issue is the synchronous parallel KMC (SPKMC) algorithm, which makes the time scale size-independ...

Accelerated algorithms for simulating the morphological evolution of strained heteroepitaxy based on a ball and spring lattice model in three dimensions are explained. We derive exact Green’s function formalisms for boundary values in the associated lattice elasticity problems. The computational efficiency is further enhanced by using a superparticle surface coarsening approximation. Atomic hop...

study of activated states and correlated shear-transformation-zone activity during the deformation of an amorphous metal. " Physical Review B 81.6 (2010): 064204. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share ho...

We discuss effects of the different chemical bondings on the island morphology and on the island density scaling in two-component submonolayer growth. Different regimes depending on the strength of the mutual interactions and on the relative mobility of species are described and studied by kinetic Monte Carlo simulations using a two-component solidon-solid growth model. Results for the temperat...

The surface diffusion-mediated decay of unidirectional and bidirectional sinusoidal modulations of a solid surface below its roughening temperature was studied by kinetic Monte Carlo simulation. The characteristic decay time for bidirectional modulations with wavelength l was found to scale as l , in agreement with a prediction of Rettori and Villain and in contrast to the classical relaxation ...

This work focuses on simultaneous regulation of film thickness, surface roughness, and porosity in a multiscale model of a thin film growth process using the inlet precursor concentration as the manipulated input. Specifically, under the assumption of continuum, a partial differential equation model is first derived to describe the dynamics of the precursor concentration in the gas phase. The t...

Kinetic Monte Carlo (KMC) simulation is employed to represent the photochemical reactions involved in the initial phases of chlorophyll fluorescence (ChlF) emission from photosystem II (PSII). Comparison with a differential equation representation reveals similarities and differences. Both KMC and differential equation models can describe the kinetic variations and show the main characteristics...

We report our kinetic Monte Carlo (kMC) study of the impact of carbon co-implant on the pre-amorphization implant (PAI) process. We employed both BCA (Binary Collision Approximation) approach for the acquisition of the initial as-implant dopant profile and kMC method for the simulation of diffusion process during the annealing process. Our simulation study revealed that carbon coimplant process...