This brief overview presents classical molecular dynamics simulations that we employed to
examine the glass formation and cluster evolution during the rapid solidification of Co 3 Al …

In this work, the structural dynamics of liquid Al 80 Cu 20 is systematically investigated in
terms of the evolution of its atomic structure, diffusivity, viscosity and fragility through ab initio …

Long periodic stacking ordered phases (LPSOs), consisting of various configurations of
stacking faults, play an important role in developing ultrastrong Mg alloys with moderate …

We discuss the dependence of self-and interdiffusion coefficients on temperature and
composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular …

We investigate temperature-and composition-dependent structural and dynamical properties
of Al-Au melts. Experiments are performed to obtain accurate density and viscosity data. The …

In this work, effects of solute atoms (X) on lattice parameters, bulk modulus, enthalpy of
formation, lattice distortion energy, electron work function (EWF) and bonding …

Viscosity and diffusivity, two important transport coefficients, are systematically investigated
from unary melt to binary to multicomponent melts in the present work. By coupling with …

A method to determine material parameters by comparing the evolution of experimentally
determined 3D microstructures to simulated 3D microstructures is proposed. The temporal …

NiAl-based eutectic alloys, consisting of an ordered bcc matrix (B2) and disordered bcc
fibers (A2), have been a subject of intensive efforts aimed at tailoring the properties of many …

We use ab initio molecular dynamics simulations to study the correlation between the local
ordering and the dynamic properties of liquid Al 80 Ni 20 alloy upon cooling. Our results …