skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

Abstract

Using molecular dynamics simulations, we elucidate irradiation-induced point defect evolution in fcc pure Ni, Ni 0.5Fe 0.5, and Ni 0.8Cr 0.2 solid solution alloys. We find that irradiation-induced interstitials form dislocation loops that are of 1/3 <111>{111}-type, consistent with our experimental results. While the loops are formed in all the three materials, the kinetics of formation is considerably slower in NiFe and NiCr than in pure Ni, indicating that defect migration barriers and extended defect formation energies could be higher in the alloys than pure Ni. As a result, while larger size clusters are formed in pure Ni, smaller and more clusters are observed in the alloys. The vacancy diffusion occurs at relatively higher temperatures than interstitials, and their clustering leads to formation of stacking fault tetrahedra, also consistent with our experiments. The results also show that the surviving Frenkel pairs are composition-dependent and are largely Ni dominated.

Authors:
 [1];  [2];  [1];  [1];  [1];  [2];  [3]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials and Technology Div.
  2. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials and Technology Div.; Univ. of Tennessee, Knoxville, TN (United States). Materials Science and Engineering
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1209216
Alternate Identifier(s):
OSTI ID: 1251431
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 99; Related Information: EDDE partners with Oak Ridge National Laboratory (lead); Lawrence Livermore National Laboratory; University of Michigan; University of Tennessee; University of Wisconsin; University of Wyoming; Virginia Tech; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Aidhy, Dilpuneet S., Lu, Chenyang, Jin, Ke, Bei, Hongbin, Zhang, Yanwen, Wang, Lumin, and Weber, William J. Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments. United States: N. p., 2015. Web. doi:10.1016/j.actamat.2015.08.007.
Aidhy, Dilpuneet S., Lu, Chenyang, Jin, Ke, Bei, Hongbin, Zhang, Yanwen, Wang, Lumin, & Weber, William J. Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments. United States. doi:10.1016/j.actamat.2015.08.007.
Aidhy, Dilpuneet S., Lu, Chenyang, Jin, Ke, Bei, Hongbin, Zhang, Yanwen, Wang, Lumin, and Weber, William J. Sat . "Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments". United States. doi:10.1016/j.actamat.2015.08.007. https://www.osti.gov/servlets/purl/1209216.
@article{osti_1209216,
title = {Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments},
author = {Aidhy, Dilpuneet S. and Lu, Chenyang and Jin, Ke and Bei, Hongbin and Zhang, Yanwen and Wang, Lumin and Weber, William J.},
abstractNote = {Using molecular dynamics simulations, we elucidate irradiation-induced point defect evolution in fcc pure Ni, Ni0.5Fe0.5, and Ni0.8Cr0.2 solid solution alloys. We find that irradiation-induced interstitials form dislocation loops that are of 1/3 <111>{111}-type, consistent with our experimental results. While the loops are formed in all the three materials, the kinetics of formation is considerably slower in NiFe and NiCr than in pure Ni, indicating that defect migration barriers and extended defect formation energies could be higher in the alloys than pure Ni. As a result, while larger size clusters are formed in pure Ni, smaller and more clusters are observed in the alloys. The vacancy diffusion occurs at relatively higher temperatures than interstitials, and their clustering leads to formation of stacking fault tetrahedra, also consistent with our experiments. The results also show that the surviving Frenkel pairs are composition-dependent and are largely Ni dominated.},
doi = {10.1016/j.actamat.2015.08.007},
journal = {Acta Materialia},
number = ,
volume = 99,
place = {United States},
year = {Sat Aug 08 00:00:00 EDT 2015},
month = {Sat Aug 08 00:00:00 EDT 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 29works
Citation information provided by
Web of Science

Save / Share: