Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations

By D. Cereceda, M. Diehl, Franz Roters, Dierk Raabe, José Manuel Perlado, Jaime Marian. 2015

194 citations recorded by the source corpus.

Abstract We use a physically-based crystal plasticity model to predict the yield strength of body-centered cubic (bcc) tungsten single crystals subjected to uniaxial loading. Our model captures the thermally-activated character of screw dislocation motion and full non-Schmid effects, both of which are known to play critical roles in bcc plasticity. The model uses atomistic calculations as the sole source of constitutive information, with no parameter fitting of any kind to experimental data. Our results are in excellent agreement with experimental measurements of the yield stress as a function of temperature for a number of loading orientations. The validated methodology is employed to calculate the temperature and strain-rate dependence of the yield strength for 231 crystallographic orientations within the standard stereographic triangle. We extract the strain-rate sensitivity of W crystals at different temperatures, and finish with the calculation of yield surfaces under biaxial loading conditions that can be used to define effective yield criteria for engineering design models.

Subfields: Materials Chemistry, Mechanical Engineering

View Paper: https://www.semanticscholar.org/paper/b4bd9ce8d9b5ed5051191dcdc7494638b86eebc0

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In Mechanical Engineering

Citations in the corpus

Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions (2017, background): “As an example, recent successes in applying advanced modeling to study the mechanical behavior of fusion base materials include unraveling the mechanisms of dislocation channel formation in Fe [28] or the prediction of the temperature dependence of the yield strength in W single crystals [29].”
DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale (2018, background): “This allows to reproduce the experimentally observed temperature-dependent yield behavior of W single crystals [165].”