Nonequilibrium molecular dynamics study of shear flow in soft disks

作者: D. M. Heyes , G. P. Morriss , D. J. Evans

DOI: 10.1063/1.449001

关键词: DilatantThermodynamicsShear (geology)Shear thinningFluid dynamicsMolecular physicsShear flowChemistryShear stressRheologyNon-equilibrium thermodynamics

摘要: Nonequilibrium molecular dynamics calculations of homogeneous shear flow in two dimensions have been performed on soft disks close to the freezing transition. Simulations at discrete rates, γ, reveal complex phase changes and dynamical behavior during extensive thinning a difference values diagonal components pressure tensor. A thickening regime was also found near γ=10 but it had disappeared γ=50, line with recent work by Woodcock. The that there is change from an amorphous liquid structure γ=1.0 fluid microscopically layered along stream lines higher rates. An intermediate two‐phase region observed γ=5 which both ordered phases coexist within MD cell, containing 896 disks. In particle are dominated imposed can be reproduced large part simple models exclude thermal motion. time correlation functions a...

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