Microscopic dynamics in liquid metals: The experimental point of view

T Scopigno, G Ruocco, F Sette - Reviews of Modern Physics, 2005 - APS
The experimental results relevant for the understanding of the microscopic dynamics in
liquid metals are reviewed, with special regard to the ones achieved in the last two decades …

Highly optimized embedded-atom-method potentials for fourteen fcc metals

HW Sheng, MJ Kramer, A Cadien, T Fujita… - Physical Review B …, 2011 - APS
Highly optimized embedded-atom-method (EAM) potentials have been developed for 14
face-centered-cubic (fcc) elements across the periodic table. The potentials were developed …

Atomistic computation of liquid diffusivity, solid-liquid interfacial free energy, and kinetic coefficient in Au and Ag

JJ Hoyt, M Asta - Physical Review B, 2002 - APS
Molecular-dynamics simulations using interatomic potentials of the embedded atom method
have been performed on pure Ag and Au to compute materials parameters which are …

Test of the universal scaling law for the diffusion coefficient in liquid metals

JJ Hoyt, M Asta, B Sadigh - Physical review letters, 2000 - APS
The recently proposed scaling law relating the diffusion coefficient and the excess entropy of
a liquid [M. Dzugutov, Nature (London) 381, 137 (1996)] is tested for several metals using …

Kinetic phase field parameters for the Cu–Ni system derived from atomistic computations

JJ Hoyt, B Sadigh, M Asta, SM Foiles - Acta materialia, 1999 - Elsevier
In the phase field model of binary solidification the mobility terms which appear in the
governing rate equations can be estimated from the liquid diffusion coefficients of the pure …

Properties of liquid nickel: A critical comparison of EAM and MEAM calculations

FJ Cherne, MI Baskes, PA Deymier - Physical Review B, 2001 - APS
In this paper, we compare a variety of properties of liquid nickel calculated with two different
embedded atom model functions [J. Cai and YY Ye, Phys. Rev. B 54, 8398 (1996); MI …

Real-space pseudopotential method for computing the electronic properties of periodic systems

MMG Alemany, M Jain, L Kronik, JR Chelikowsky - Physical Review B, 2004 - APS
We present a real-space method for electronic-structure calculations of periodic systems.
Our method is based on the self-consistent solution of the Kohn-Sham equations on a …

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 …

Molecular-dynamics study of the dynamic properties of fcc transition and simple metals in the liquid phase using the second-moment approximation to the tight-binding …

MMG Alemany, O Diéguez, C Rey, LJ Gallego - Physical Review B, 1999 - APS
Using a semiempirical many-body potential based on the second-moment approximation to
the tight-binding method, we performed molecular-dynamics simulations to compute the …

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 …