On the relation between dynamical density functional theory and Navier-Stokes equation

C Qiao, T Zhao, X Yu, L Qing, B Bao, S Zhao… - Chemical Engineering …, 2021 - Elsevier
Navier-Stokes equations are widely applied to deal with non-equilibrium fluid dynamics
such as the flow field on nanoscale. On the other category, dynamical density functional …

Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

KC Lai, DJ Liu, JW Evans - Physical Review B, 2017 - APS
For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal (100) surfaces
mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion …

Kinetic Monte Carlo Simulation of Au Monolayer Evolution on Cu (110)

M Dardouri, A Hassani, A Hasnaoui… - … status solidi (b), 2018 - Wiley Online Library
In this work, results obtained from the kinetic Monte Carlo (KMC) simulations are presented.
The KMC is based on embedded‐atom method (EAM) energetics findings. The evolution of …

Kinetic Monte Carlo simulations of coverage effect on Ag and Au monolayers growth on Cu (1 1 0)

M Dardouri, A Hassani, A Hasnaoui, A Arbaoui… - Journal of Crystal …, 2019 - Elsevier
In this work, different coverages (1%≤ coverage≤ 20%) are studied during the growth of Ag
and Au monolayers on the Cu (1 1 0) surface using kinetic Monte Carlo simulations (kMC) …

Silver monolayer formation on Cu (110) by kinetic Monte Carlo method

M Dardouri, K Sbiaai, A Hassani… - … Physical Journal Plus, 2019 - epjplus.epj.org
In this paper, we studied the early stage of growing silver monolayer on Cu (110) using
kinetic Monte Carlo Method. In this investigation, we have considered atomic deposition …

Molecular-Dynamics Study Of Self-Diffusion: Of The Au4; Au4/Ag (110) System

F Eddiai, M Dardouri, H El Azrak… - IOP Conference …, 2020 - iopscience.iop.org
In this work, we will shed light on the results obtained from the molecular dynamics method
in the temperature ranging of 300-700K. This investigation concerning the coalescence for …

Toward multiscale modeling of thin-film growth processes using SLKMC

SR Acharya, TS Rahman - Journal of Materials Research, 2018 - cambridge.org
The self-learning kinetic Monte Carlo method has been shown to be suitable for examining
the temporal and spatial evolution of adatom islands on the (111) surface of several fcc …

Structure, stability, and surface diffusion of clusters: Pt4/Cu (110) AND Au4/Ag (110) surface by molecular dynamics

F Eddiai, M Dardouri, A Hassani, M Badawi… - The European Physical …, 2020 - epjap.org
In this work, molecular dynamics simulations have been used to simulate the behavior of
tetramer clusters behavior in Pt 4/Cu (110) and Au 4/Ag (110) systems, in the temperature …

Size-selective, rapid dynamics of large, hetero-epitaxial islands on fcc (0 0 1) surfaces

OU Uche, HG Le, LB Brunner - Computational Materials Science, 2021 - Elsevier
In this work, we use molecular dynamics simulations to investigate the diffusion of two-
dimensional, hexagonal silver islands on copper and nickel substrates below room …

Diffusion and adsorption of dimers on reconstructed Pt (1 1 0) surfaces: First principle and EAM studies

I Matrane, M Mazroui, K Sbiaai - Chemical Physics, 2018 - Elsevier
We present a density functional theory (DFT) and embedded atom method (EAM) studies of
Pt 2, Au 2 and AuPt dimers adsorption and diffusion on the clean Pt (1 1 0)(1× 1) surface and …