Simulation Of The Layer-Growth Dynamics In Silver Films: Dynamics Of Adatom And Vacancy Clusters On Ag(100)

Arthur F. Voter

doi:10.1117/12.941860

2 February 1988 Simulation Of The Layer-Growth Dynamics In Silver Films: Dynamics Of Adatom And Vacancy Clusters On Ag(100)

Arthur F. Voter

Author Affiliations +

Proceedings Volume 0821, Modeling of Optical Thin Films; (1988) https://doi.org/10.1117/12.941860
Event: 31st Annual Technical Symposium on Optical and Optoelectronic Applied Sciences and Engineering, 1987, San Diego, CA, United States

Abstract

Simulation results are presented for some dynamical processes occurring in the growth of (100) layers of silver. The overlayer dynamics are evolved using a recently developed method that, in the regime where surface diffusion consists of discrete hops, yields classically exact dynamics for an arbitrary interatomic potential. The time-scale limitations of direct molecular dynamics simulations are thus overcome. The Ag/Ag(100) system is modeled using a sophisticated form of interaction potential, similar to the embedded atom method, in which the energy is given by a sum of pairwise interactions plus a term for each atom that depends on the local atomic density. This type of potential includes the many-body terms necessary to describe a variety of atomic environments, such as the perfect fcc metal, free surfaces, vacancies, interstitials, and even the diatomic molecule, but with the computational scaling of a simple pair potential. The present study focuses on some of the dynamics in a single layer of silver: the diffusion and dissociation of clusters of adatoms and vacancies. Some interesting features are observed, including a nonmonotonic decrease in diffusion constant with increasing cluster size, and a roughly constant mean square distance a cluster migrates before dissociation (ejection of a monomer).

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Arthur F. Voter "Simulation Of The Layer-Growth Dynamics In Silver Films: Dynamics Of Adatom And Vacancy Clusters On Ag(100)", Proc. SPIE 0821, Modeling of Optical Thin Films, (2 February 1988); https://doi.org/10.1117/12.941860

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