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Title: EFFECT OF STRAIN FIELD ON THRESHOLD DISPLACEMENT ENERGY OF TUNGSTEN STUDIED BY MOLECULAR DYNAMICS SIMULATION

The influence of hydrostatic strain on point defect formation energy and threshold displacement energy (Ed) in body-centered cubic (BCC) tungsten was studied with molecular dynamics simulations. Two different tungsten potentials (Fikar and Juslin) were used. The minimum Ed direction calculated with the Fikar-potential was <100>, but with the Juslin-potential it was <111>. The most stable self-interstitial (SIA) configuration was a <111>-crowdion for both potentials. The stable SIA configuration did not change with applied strain. Varying the strain from compression to tension increased the vacancy formation energy but decreased the SIA formation energy. The SIA formation energy changed more significantly than for a vacancy such that Ed decreased with applied strain from compression to tension.
Authors:
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Publication Date:
OSTI Identifier:
1327158
Report Number(s):
PNNL-SA-115787
AT2030110
DOE Contract Number:
AC05-76RL01830
Resource Type:
Book
Resource Relation:
Related Information: Fusion Materials Semiannual Progress Report for Period Ending December 31, 2015, 59:109-113. DOE/ER-0313/59
Publisher:
Oak Ridge National Laboratory, Oak Ridge, TN, United States(US).
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English