Simulation of the layer-growth dynamics in silver films: Dynamics of adatom clusters and vacancy clusters on Ag(100)

Conference · Thu Jan 01 00:00:00 EST 1987

DOI:https://doi.org/10.1117/12.941860· OSTI ID:6042061

Voter, A F

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). 41 refs., 9 figs., 2 tabs.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 6042061
• Report Number(s): LA-UR-87-2807; CONF-8708110-11; ON: DE87014764
• Resource Relation: Journal Volume: 0821; Conference: 31. SPIE annual international technical symposium on optical and optoelectronic applied science and engineering, San Diego, CA, USA, 16 Aug 1987; Other Information: Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL GROWTH
COMPUTERIZED SIMULATION
SILVER
ATOMS
DIFFUSION
DISSOCIATION
DISSOCIATION ENERGY
INTERATOMIC FORCES
LAYERS
SOLID CLUSTERS
SURFACE AREA
VACANCIES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELEMENTS
ENERGY
METALS
POINT DEFECTS
SIMULATION
SURFACE PROPERTIES
TRANSITION ELEMENTS
360102* - Metals & Alloys- Structure & Phase Studies