It is generally accepted that the complicated character of the interparticle interaction in liquid
metals is reproduced most correctly by many-particle potentials of the EAM-type (embedded …

The features of the microscopic structure, as well as one-particle and collective dynamics of
liquid gallium in the temperature range from T= 313 to 1273 K, are studied on the p= 1.0 atm …

The atomic dynamics of the binary Al 100–x Cu x system is simulated at a temperature T=
973 K, a pressure p= 1.0 bar, and various copper concentrations x. These conditions …

The structural and dynamic properties of the three-component Zr 47 Cu 46 Al 7 system are
subjected to a molecular dynamics simulation in the temperature range T= 250–3000 K at a …

The analysis of extensive density functional/molecular dynamics simulations (over 500
atoms, up to 100 ps) of liquid bismuth at four temperatures between 573 K and 1023 K has …

A key feature of the crystallization of supercooled water confined in an applied static electric
field is that the structural order here is determined not only by usual thermodynamic and …

The results of experimental measurements, molecular dynamics simulation, and theoretical
calculations of the viscosity of a cobalt melt in a temperature range of 1400–2000 K at a …

A method has been proposed for determining interfacial free energy from the data of
molecular dynamics simulation. The method is based on the thermodynamic integration …

This paper presents the results of investigation of the propagation mechanism of collective
excitations in amorphous C 60 x/C 70 (1− x) fullerene mixtures (with equimolar …

Extensive molecular dynamics simulations of liquid sodium have been carried out to
evaluate correlation functions of several dynamical quantities. We report the results of a …