Characterization of microscopic deformation through two-point spatial correlation function

Abstract

The molecular rearrangements of most fluids under flow and deformation do not directly follow the macroscopic strain field. In this work, we describe a phenomenological method for characterizing such non-affine deformation via the anisotropic pair distribution function (PDF). We demonstrate now the microscopic strain can be calculated in both simple shear and uniaxial extension, by perturbation expansion of anisotropic PDF in terms of real spherical harmonics. Our results, given in the real as well as the reciprocal space, can be applied in spectrum analysis of small-angle scattering experiments and non-equilibrium molecular dynamics simulations of soft matter under flow.

References in corpus (5)

• Microscopic origin of nonlinear non-affine deformation and stress overshoot in bulk metallic glasses
• Atomic Mechanism of Flow in Simple Liquids under Shear
• Fingerprinting molecular relaxation in deformed polymers
• Correlations of plasticity in sheared glasses
• Single particle fluctuations and directional correlations in driven hard sphere glasses

Cited by in corpus (4)

• Theory of sound attenuation in amorphous solids from nonaffine motions
• Scaling Behavior of Anisotropy Relaxation in Deformed Polymers
• Local Elasticity in Nonlinear Rheology of Interacting Colloidal Glasses Revealed by Neutron Scattering and Rheometry
• Strain Heterogeneity in Sheared Colloids Revealed by Neutron Scattering