Publication Date

2-11-2019

Department

Ames Laboratory; Physics and Astronomy

Campus Units

Physics and Astronomy, Ames Laboratory

OSTI ID+

1494223

Report Number

IS-J 9861

DOI

10.1103/PhysRevMaterials.3.026001

Journal Title

Physical Review Materials

Volume Number

3

Issue Number

2

First Page

026001

Abstract

Far-from-equilibrium evolution of metallic nanocluster shapes is highly sensitive to the atomistic-level details of surface diffusion for diverse local surface configurations. A stochastic model was developed incorporating realistic values for the multiple diffusion barriers (contrasting previous unrealistic generic prescriptions) based upon insights from homoepitaxial film growth. Kinetic Monte Carlo simulation then elucidates the conversion of Ag nanocubes to Wulff polyhedra mediated by nucleation of new {100}facets, the pinch-off of sufficiently elongated Ag nanorods, and key aspects of sintering for orientationally aligned Ag and Au nanoclusters. The time scale for sintering of Au nanoclusters observed in high-resolution transmission electron microscopy studies was also recovered.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Department of Energy Subject Categories

36 MATERIALS SCIENCE

Publisher

Iowa State University Digital Repository, Ames IA (United States)

IS-J 9861 SI.pdf (1326 kB)
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