Atomic Mechanism of Flow in Simple Liquids under Shear

摘要

Atomic correlations in a simple liquid in steady-state flow under shearstress were studied by molecular dynamics simulation. The local atomic levelstrain was determined through the anisotropic pair-density function (PDF). Theatomic level strain has a limited spatial extension whose range is dependent onthe strain rate and extrapolates to zero at the critical strain rate. A failureevent is identified with altering the local topology of atomic connectivity byexchanging bonds among neighboring atoms.