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 , but with the Juslin-potential it was . The most stable self-interstitial (SIA) configuration was a -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.
Revised: September 23, 2016 |
Published: March 31, 2016
Citation
Wang D., N. Gao, W. Setyawan, R.J. Kurtz, X. Gao, and W.H. He. 2016.EFFECT OF STRAIN FIELD ON THRESHOLD DISPLACEMENT ENERGY OF TUNGSTEN STUDIED BY MOLECULAR DYNAMICS SIMULATION. In Fusion Materials Semiannual Progress Report for Period Ending December 31, 2015. 109-113. DOE/ER-0313/59. Oak Ridge, Tennessee:Oak Ridge National Laboratory.PNNL-SA-115787.