Surface diffusion is intimately correlated with crystal orientation and surface structure. Fast
surface diffusion accelerates phase transformation and structural evolution of materials …

We present results of molecular dynamics (MD) simulations and density functional theory
(DFT) calculations of the diffusion of Cu adatom and dimer on Ag (111). We have used …

Using molecular dynamics, nudged elastic band and modified analytic embedded atom
methods, the diffusion behaviors of Pd adatom on stepped Pd (001) surface have been …

Mass transport processes of conjugated organic molecules (COMs) on inorganic surfaces
are essential elements in thin film deposition for hybrid optoelectronic devices. Defects and …

Results of molecular dynamics simulation of the diffusion of two-dimensional 13-atom Cu
island on Ag (111), using many-body potentials obtained from the embedded-atom method …

Growth of metallic nanorods by physical vapor deposition is a common practice, and the
origin of their dimensions is a characteristic length scale that depends on the three …

In this paper, the thermal diffusion behavior of small two-dimensional Ag-islands on Ag (1 1
1) surface has been explored using molecular dynamics (MD) simulations. The approach is …

Density functional theory (DFT) calculations can be regarded as a cornerstone in modern
materials science to facilitate the materials design in nanotechnology. The introduction of …

This work presents the results of the diffusion of a copper 10-atom island on an Ag (111)
surface using the molecular dynamics technique based on the embedded-atom method …

Diffusion of Pt adatom across the strained {111}-faceted step is studied by embedded atom
method along with nudged elastic band method. For adatom on the flat (111) surface, the …