Excess Entropy, Diffusion Coefficient, Viscosity Coefficient and Surface Tension of Liquid Simple Metals from Diffraction Data

Surface tension and its temperature coefficient for liquid metals.

Temperature-dependent surface tension gamma(lv)(T) and its temperature coefficient (T) [=dgamma(lv)(T)/dT] for liquid metals are thermodynamically determined on the basis of an established model for surface energy of crystals. The model predictions correspond to the available experimental or theoretical results. It is found that for metallic liquids gamma(lv)(T(m)) proportional, variant H(v)/V(...

Diffusion coefficient and shear viscosity of rigid water models.

We report the diffusion coefficient and viscosity of popular rigid water models: two non-polarizable ones (SPC/E with three sites, and TIP4P/2005 with four sites) and a polarizable one (Dang-Chang, four sites). We exploit the dependence of the diffusion coefficient on the system size (Yeh and Hummer 2004 J. Phys. Chem. B 108 15873) to obtain the size-independent value. This also provides an es...

Shear Viscosity Coefficient from Microscopic Models

The transport coefficient of shear viscosity is studied for a hadron matter through microscopic transport model, the Ultra–relativistic Quantum Molecular Dynamics (UrQMD), using the Green–Kubo formulas. Molecular– dynamical simulations are performed for a system of light mesons in a box with periodic boundary conditions. Starting from an initial state composed of π, η , ω , ρ , φ with a uniform...

Test of the universal scaling law for the diffusion coefficient in liquid metals.

The recently proposed scaling law relating the diffusion coefficient and the excess entropy of a liquid [M. Dzugutov, Nature (London) 381, 137 (1996)] is tested for several metals using molecular dynamics simulations. Interatomic potentials derived from the embedded atom method are used to study Ag, Au, Cu, Ni, Pd, Pt, Ni(3)Al, and AuPt and the angular dependent Stillinger-Weber form is used to...

Symmetric Simple Exclusion Process: Regularity of the Self Diffusion Coefficient