Multiscale modeling of plastic deformation of molybdenum and tungsten: II. Yield criterion for single crystals based on atomistic studies of glide of 1/2<111> screw dislocations

TL;DR

This paper develops analytical yield criteria for single crystals of molybdenum and tungsten based on atomistic studies, capturing non-glide stress effects on screw dislocation glide, and explores their implications for polycrystal behavior and shear localization.

Contribution

It introduces new yield criteria that incorporate non-glide stresses and demonstrates their impact on slip system activation and shear localization in polycrystals.

Findings

Excellent qualitative agreement with experimental data on tension-compression asymmetry.

Non-planar screw dislocation cores influence shear localization phenomena.

Non-glide stress effects persist in polycrystals, affecting critical deformation processes.

Abstract

Based on the atomistic studies presented in Part I we develop analytical yield criteria for single crystals that capture the effect of shear stresses other than the Schmid stress (non-glide stresses) on the shear stress needed for dislocation glide (Peierls stress). These yield criteria characterize a non-associated plastic flow that originates owing to the complex response of 1/2<111> screw dislocations to an applied stress tensor. Employing these criteria we identify the operative slip systems for tensile/compressive loading along various axes within the standard stereographic triangle and determine the ensuing tension-compression asymmetry. This result is in an excellent qualitative agreement with available experimental data. Moreover, using the constructed yield criteria within the Taylor homogenization procedure, we demonstrate that effects associated with non-planar cores of screw dislocations persist in random polycrystals. This affects significantly critical phenomena such as shear localization, which is demonstrated by analyzing the cavitation in a ductile plastic solid.