Structural and dynamical properties of liquid Al-Au alloys
2015
We investigate temperature- and composition dependent structural and dynamical p
roperties of Al-Au melts.
Experiments are performed to obtain accurate density and viscosity data.
The system shows a strong negative excess volume, similar to other Al-based binary alloys.
We develop a molecular-dynamics (MD) model of the melt based on the embedded-atom method (EAM), gauged against the available experimental liquid-state data.
A rescaling of previous EAM potentials for solid-state Au and Al
improves the quantitative agreement with experimental data in the melt.
In the MD simulation, the admixture of Au to Al can be
interpreted as causing a local compression of the less dense Al system,
driven by less soft Au--Au interactions. This local compression provides
a microscopic mechanism explaining the strong negative excess volume
of the melt.
We further discuss the conentration dependence of self- and interdiffusion
and viscosity in the MD model. Al atoms are more mobile than Au, and their
increased mobility is linked to a lower viscosity of the melt.
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