Determination of complete melting and surface premelting points of silver nanoparticles by molecular dynamics simulation

HA Alarifi, M Atis, C Ozdogan, A Hu… - The Journal of …, 2013 - ACS Publications
A molecular dynamics simulation based on the embedded-atom method was conducted at
different sizes of single-crystal Ag nanoparticles (NPs) with diameters of 4 to 20 nm to find …

Signature of nearly icosahedral structures in liquid and supercooled liquid copper

P Ganesh, M Widom - Physical Review B—Condensed Matter and Materials …, 2006 - APS
A growing body of experiments display indirect evidence of icosahedral structures in
supercooled liquid metals. Computer simulations provide more direct evidence but generally …

Ab initio simulations of geometrical frustration in supercooled liquid Fe and Fe-based metallic glass

P Ganesh, M Widom - Physical Review B—Condensed Matter and Materials …, 2008 - APS
We investigate short range order in liquid and supercooled liquid Fe and Fe-based metallic
glass using ab initio simulation methods. We analyze the data to quantify the degree of local …

Structure and energetics of clusters with : An embedded-atom-method study

VG Grigoryan, D Alamanova, M Springborg - Physical Review B—Condensed …, 2006 - APS
We use the embedded-atom method (EAM) in the version of Daw, Baskes, and Foiles (DBF)
to determine the three most stable isomers of Cu N clusters with N from 2 to 150. Randomly …

Embedded-atom-method study of structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys

M Asta, D Morgan, JJ Hoyt, B Sadigh, JD Althoff… - Physical Review B, 1999 - APS
Structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys have been
studied by Monte Carlo and molecular-dynamics simulations based upon three different …

Synergistic lubrication effect of Al2O3 and MoS2 nanoparticles confined between iron surfaces: a molecular dynamics study

J He, J Sun, Y Meng, Y Pei, P Wu - Journal of Materials Science, 2021 - Springer
Nonequilibrium molecular dynamics (NEMD) simulations were performed to investigate the
tribology behaviors of Al 2 O 3 and MoS 2 nanoparticles confined between iron (Fe) slabs …

The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study

CS Liu, J Xia, ZG Zhu, DY Sun - The Journal of Chemical Physics, 2001 - pubs.aip.org
The constant-pressure molecular dynamics simulations based on the second-moment
approximation of tight-binding scheme have been performed to study the relationship …

Molecular dynamic simulation of glass formation in binary liquid metal: Cu–Ag using EAM

L Qi, HF Zhang, ZQ Hu - Intermetallics, 2004 - Elsevier
Based on the embedded-atom method, a constant-pressure, constant-temperature
molecular dynamics technique is applied to obtain an atomic description of glass formation …

Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper

FF Chen, HF Zhang, FX Qin, ZQ Hu - The Journal of chemical physics, 2004 - pubs.aip.org
Based on Mei's embedded atom model [Mei et al., Phys. Rev. B 43, 4653 (1991)] molecular
dynamics simulations have been performed to investigate the rapidly cooling processes of …

Vibrational and thermodynamic properties of metals from a model embedded-atom potential

Q Bian, SK Bose, RC Shukla - Journal of Physics and Chemistry of Solids, 2008 - Elsevier
This work provides the first systematic test of validity of the embedded-atom potentials of Mei
et al.[Phys. Rev. B 43 (1991) 4653], via a complete study of the vibrational and …