Consistent determination of geometrically necessary dislocation density from simulations and experiments

TL;DR

This paper clarifies the consistent calculation of geometrically necessary dislocation density from simulations and experiments, compares optimization methods, and validates results with experimental data in tungsten.

Contribution

It provides a unified framework for Nye's tensor definitions, compares L1 and L2 minimization techniques, and validates GND density measurements with experimental data.

Findings

Different definitions of Nye's tensor yield the same GND density when applied consistently.

L2 minimization produces similar total GND densities as L1, favoring simplicity.

Experimental measurements in tungsten agree well with crystal plasticity simulations.

Abstract

The use of Nye's dislocation tensor for calculating the density of geometrically necessary dislocations (GND) is widely adopted in the study of plastically deformed materials. The curl operation involved in finding the Nye tensor, while conceptually straightforward has been marred with inconsistencies and several different definitions are in use. For the three most common definitions, we show that their consistent application leads to the same result. To eliminate frequently encountered confusion, a summary of expressions for Nye's tensor in terms of elastic and plastic deformation gradient, and for both small and large deformations, is presented. A further question when estimating GND density concerns the optimization technique used to solve the under-determined set of equations linking Nye's tensor and GND density. A systematic comparison of the densities obtained by two widely used techniques, L1 and L2 minimisation, shows that both methods yield remarkably similar total GND densities. Thus the mathematically simpler, L2, may be preferred over L1 except when information about the distribution of densities on specific slip systems is required. To illustrate this, we compare experimentally measured lattice distortions beneath nano-indents in pure tungsten, probed using 3D-resolved synchrotron X-ray micro-diffraction, with those predicted by 3D strain-gradient crystal plasticity finite element calculations. The results are in good agreement and show that the volumetric component of the elastic strain field has a surprisingly small effect on the determined Nye tensor. This is important for experimental techniques, such as micro-beam Laue measurements and HR-EBSD, where only the deviatoric strain component is measured.