99 citations · 235 across the 9 of their papers we have counts for
9 papers
An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting
D. J. González, L. E. González
We report a study on the static and dynamic properties of several liquid 5 transition metals at thermodynamic conditions near their respective melting points. This is performed…
Ab initio study of the atomic motion in liquid metal surfaces: comparison with Lennard-Jones systems
Luis E. Gonzalez, David J. Gonzalez
It is established that liquid metals exhibit surface layering at the liquid-vapor interface, while dielectric simple systems, like those interacting through Lennard-Jones potential…
Temperature dependent surface relaxation for Al(110) and Mg(10-10) studied by orbital free ab initio molecular dynamics
Luis E. Gonzalez, David J. Gonzalez
We have performed orbital free ab initio molecular dynamics simulations in order to study the thermal behaviour of two open surfaces of solid metallic systems, namely the (110) fac…
Interplay between the ionic and electronic density profiles in liquid metal surfaces
L. E. Gonzalez, D. J. Gonzalez, M. J. Stott
First principles molecular dynamics simulations have been performed for the liquid-vapor interfaces of liquid Li, Mg, Al and Si. We analize the oscillatory ionic and valence electr…
Viscoelastic model for the dynamic structure of binary systems
Napoleon Anento, Luis E. Gonzalez, David J. Gonzalez +2
This paper presents the viscoelastic model for the Ashcroft-Langreth dynamic structure factors of liquid binary mixtures. We also provide expressions for the Bhatia-Thornton dynami…
Dynamic structure in a molten binary alloy by ab initio Molecular Dynamics: Crossover from Hydrodynamics to the Microscopic Regime
D. J. Gonzalez, L. E. Gonzalez, J. M. Lopez +1
The dynamic structure factor of the 7Li0.61Na0.39 liquid alloy at T=590 K has been calculated by ab initio molecular dynamics simulations using 2000 particles. For small wavevector…