Molecular-Dynamics Analysis of the Mechanical Behavior of Plasma-Facing Tungsten.

Autor: Weerasinghe A; Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003, United States., Martinez E; Department of Mechanical Engineering, Clemson University, Clemson, South Carolina 29634, United States.; Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634, United States., Wirth BD; Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States.; Fusion Energy Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Maroudas D; Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003, United States.
Jazyk: angličtina
Zdroj: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Feb 15; Vol. 15 (6), pp. 8709-8722. Date of Electronic Publication: 2023 Jan 31.
DOI: 10.1021/acsami.2c20795
Abstrakt: We report a systematic computational analysis of the mechanical behavior of plasma-facing component (PFC) tungsten focusing on the impact of void and helium (He) bubble defects on the mechanical response beyond the elastic regime. Specifically, we explore the effects of porosity and He atomic fraction on the mechanical properties and structural response of PFC tungsten, at varying temperature and bubble size. We find that the Young modulus of defective tungsten undergoes substantial softening that follows an exponential scaling relation as a function of matrix porosity and He atomic content. Beyond the elastic regime, our high strain rate simulations reveal that the presence of nanoscale spherical defects (empty voids and He bubbles) reduces the yield strength of tungsten in a monotonically decreasing fashion, obeying an exponential scaling relation as a function of tungsten matrix porosity and He concentration. Our detailed analysis of the structural response of PFC tungsten near the yield point reveals that yielding is initiated by emission of dislocation loops from bubble/matrix interfaces, mainly 1 / 2 ⟨111⟩ shear loops, followed by gliding and growth of these loops and reactions to form ⟨100⟩ dislocations. Furthermore, dislocation gliding on the ⟨111⟩{211} twin systems nucleates 1 / 6 ⟨111⟩ twin regions in the tungsten matrix. These dynamical processes reduce the stress in the matrix substantially. Subsequent dislocation interactions and depletion of the twin phases via nucleation and propagation of detwinning partials lead the tungsten matrix to a next deformation stage characterized by stress increase during applied straining. Our structural analysis reveals that the depletion of twin boundaries (areal defects) is strongly impacted by the density of He bubbles at higher porosities. After the initial stress relief upon yielding, increase in the dislocation density in conjunction with decrease in the areal defect density facilitates the initiation of dislocation-driven deformation mechanisms in the PFC crystal.
Databáze: MEDLINE