99 citations · 272 across the 9 of their papers we have counts for
9 papers
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…
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…
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…
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…
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…