Microscopic Simulation of Rheology: Molecular Dynamics Computations and Percolation theory

摘要: Abstract The rheology of any liquid can now, in principle, be predicted from first principles using the computer simulation technique molecular dynamics. Computations on simple fluids close to solid phase co-existence line have revealed that shear thinning and thickening, as well other non-Newtonian effects are manifest by all liquids at large enough rates. This discovery leads simplifications predicting behaviour. viscosity a function rate for wide range disparate experimental simulated fall “universal” curve, when normalised internally derived parameters. intermediate density volume fractions ca. 25% has not been studied with same degree interpretive success. We reveal there is link between this part diagram microscopic parameters, ideas borrowed Percolation Theory. establish relationship directl...