13 research outputs found
Explaining why simple liquids are quasi-universal
It has been known for a long time that many simple liquids have surprisingly
similar structure as quantified, e.g., by the radial distribution function. A
much more recent realization is that the dynamics are also very similar for a
number of systems with quite different pair potentials. Systems with such
non-trivial similarities are generally referred to as "quasi-universal". From
the fact that the exponentially repulsive pair potential has strong virial
potential-energy correlations in the low-temperature part of its thermodynamic
phase diagram, we here show that a liquid is quasi-universal if its pair
potential can be written approximately as a sum of exponential terms with
numerically large prefactors. Based on evidence from the literature we moreover
conjecture the converse, i.e., that quasi-universality only applies for systems
with this property
Excess-entropy scaling in supercooled binary mixtures
Supercooled liquids near the glass transition show remarkable non-Arrhenius transport phenomena, whose origin is yet to be clarified. Here, the authors use GPU molecular dynamics simulations for various binary mixtures in the supercooled regime to show the validity of a quasiuniversal excess-entropy scaling relation for viscosity and diffusion
Thermodynamics of freezing and melting
Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature–pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio), and the liquid's diffusion constant and viscosity. The framework developed, which applies for the sizable class of systems characterized by hidden scale invariance, is validated by computer simulations of the standard 12-6 Lennard-Jones system