We investigate the effects of temperature and density on the single-particle and many-particle coefficients as well as on the structures of homogenous systems in which the particles are assumed to interact via a continuous soft sphere potential in the microcanonical ensemble. The pair distribution function and therefore the structures of the systems studied are affected by temperature close to and above the melting point through migrations of atoms from the first shell in the pair distribution function.
The dynamics of atomic pairs in the short-time regime in liquid aluminium may be said to be governed by the potential of mean force, which depends on the static structure of liquid Al at all investigated temperatures. A polynomial dependence ofD on density and temperature was observed in contradiction to Arrhenius law. The shear viscosities of the systems studied are largely nonlinear. It was observed that the soft sphere potential used in our calculations overestimates the Stoke-Einstein relation.
Volume 94, 2020
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