Molecular dynamics calculations of molten salts and soft-sphere binary liquid mixtures have
been performed. The self-and cross-correlations of the atomic velocities and displacements …

Molecular dynamics simulation is applied to the study of the diffusion properties in binary
liquid mixtures made up of soft-sphere particles with different sizes and masses. Self-and …

We present calculations for the static structure and ordering properties of two lithium-based
s− p bonded liquid alloys, Li-Na and Li-Mg. Our theoretical approach is based on the neutral …

A theory is proposed to evaluate the induced‐dipole moment occuring when three dissimilar
atoms are mutually interacting. Based on the one‐effective electron model, the theory …

In this work, we are concerned with two classes of molten monovalent metal-ion halides:
alkali halides and noble metal halides. 1–3 Alkali halides melt from a normal ionic phase …

Static and dynamic properties of liquid Li-Mg and Li-Na alloys are calculated by molecular
dynamics (MD) simulation. As in recent studies of liquid Li, an interatomic potential with no …

The molecular dynamics studies presented in this work are concerned with two systems,
molten NaCl and CuCl. In the former the ionic radii ratio is 0.74 while in the latter it is 0.36 …

A series of molecular dynamics simulations of simple liquid binary mixtures of soft spheres
with disparate-mass particles were carried out to investigate the origin of the marked …

Time dependent probability distributions of the changes of direction of atomic velocities are
considered in order to examine in detail the shape of the trajectories obtained through …

Expressions for the second and fourth frequency sum rules of the velocity auto-correlation
function have been obtained for an isotopic fluid. These expressions and Mori memory …