99 citations · 320 across the 13 of their papers we have counts for
13 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…
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…
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…
Pressure induced structural and dynamical changes in liquid Si. An ab-initio study
A. Delisle, D. J. Goznalez, M. J. Stott
The static and dynamic properties of liquid Si at high-pressure have been studied using the orbital free ab-initio molecular dynamics method. Four thermodynamic states at pressures…
Structural and dynamical properties of liquid Si. An orbital-free molecular dynamics study
A. Delisle, D. J. Gonzalez, M. J. Stott
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation. The calculated static…