Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys

Zhao, Shijun; Osetsky, Yuri N.; Zhang, Yanwen

doi:10.1103/PhysRevMaterials.3.103602

Title: Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys

Journal Article · 08 October 2019 · Physical Review Materials

DOI: https://doi.org/10.1103/PhysRevMaterials.3.103602 · OSTI ID:1570888

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City Univ. of Hong Kong, Hong Kong (China); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

The interaction between point defects and dislocations plays a crucial role in governing material properties and microstructural evolutions under external stimuli, such as mechanical deformation and irradiation. Here, we present an atomistic study of the interactions between point defects and dislocations in concentrated solid-solution alloys (CSAs). Using molecular statics and kinetic Monte Carlo methods, we demonstrate that the strain energy and stress field distribution induced by a dislocation in CSAs are highly inhomogeneous along the dislocation line, which leads to heterogeneity of defect-dislocation interactions. Specifically, the interactions are spatially different and screened by the random arrangement of different elemental species. Furthermore, such localization of defect-dislocation interaction indicates that the “dislocation-bias” mechanism that is a driving force for radiation-induced void swelling can be suppressed in concentrated alloys.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1570888

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 10 Vol. 3; ISSN PRMHAR; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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