Structural and Dynamical Anomalies of a Gaussian Core Fluid: a Mode Coupling Theory Study
arXiv:1004.0012 · doi:10.1063/1.3429354
Abstract
We present a theoretical study of transport properties of a liquid comprised of particles uist1:/home/sokrates/egorov/oldhome/Pap41/Submit > m abs.tex We present a theoretical study of transport properties of a liquid comprised of particles interacting via Gaussian Core pair potential. Shear viscosity and self-diffusion coefficient are computed on the basis of the mode-coupling theory, with required structural input obtained from integral equation theory. Both self-diffusion coefficient and viscosity display anomalous density dependence, with diffusivity increasing and viscosity decreasing with density within a particular density range along several isotherms below a certain temperature. Our theoretical results for both transport coefficients are in good agreement with the simulation data.
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Cited by in corpus (8)
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- Slow Dynamics of the High Density Gaussian Core Model
- Thermodynamics and Structural Properties of the High Density Gaussian Core Model
- Molecular dynamics simulation study of self-diffusion for penetrable-sphere model fluids
- Kinetic Theory of Soft Matter. The Penetrable-Square-Well Model
- Nonequilibrium Processes in Repulsive Binary Mixtures