99 citations · 320 across the 13 of their papers we have counts for
9 papers · 1 filter
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…
Surface structure in simple liquid metals. An orbital free first principles study
David J. Gonzalez Luis E. Gonzalez, Malcolm J. Stott
Molecular dynamics simulations of the liquid-vapour interfaces in simple sp-bonded liquid metals have been performed using first principles methods. Results are presented for liqui…
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…
A study of the electronic properties of liquid alkali metals. A self--consistent approach
W. Geertsma, D. Gonzalez, L. H. Gonzalez
We study the electronic properties (density of states, conductivity and thermopower) of some nearly--free--electron systems: the liquid alkali metals and two liquid alloys, Li-Na a…
Dynamical properties of liquid Al near melting. An orbital-free molecular dynamics study
David J. Gonzalez, Luis Enrique Gonzalez, Jose Manuel Lopez +1
The static and dynamic structure of liquid Al is studied using the orbital free ab-initio molecular dynamics method. Two thermodynamic states along the coexistence line are conside…
Density fluctuations and single-particle dynamics in liquid lithium
J. Casas, D. J. Gonzalez, L. E. Gonzalez +2
The single-particle and collective dynamical properties of liquid lithium have been evaluated at several thermodynamic states near the triple point. This is performed within the fr…
Dynamical properties of liquid lithium above melting
J. Casas, D. J. Gonzalez, L. E. Gonzalez
The dynamical properties of liquid lithium at several thermodynamic states near the triple point have been studied within the framework of the mode-coupling theory. We present a se…