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

Abstract

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.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. City Univ. of Hong Kong, Hong Kong (China); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1570888
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 10; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zhao, Shijun, Osetsky, Yuri N., and Zhang, Yanwen. Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.103602.
Zhao, Shijun, Osetsky, Yuri N., & Zhang, Yanwen. Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys. United States. doi:10.1103/PhysRevMaterials.3.103602.
Zhao, Shijun, Osetsky, Yuri N., and Zhang, Yanwen. Tue . "Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys". United States. doi:10.1103/PhysRevMaterials.3.103602.
@article{osti_1570888,
title = {Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys},
author = {Zhao, Shijun and Osetsky, Yuri N. and Zhang, Yanwen},
abstractNote = {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.},
doi = {10.1103/PhysRevMaterials.3.103602},
journal = {Physical Review Materials},
number = 10,
volume = 3,
place = {United States},
year = {2019},
month = {10}
}

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Works referenced in this record:

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004

  • Yeh, J.-W.; Chen, S.-K.; Lin, S.-J.
  • Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303
  • DOI: 10.1002/adem.200300567