Hydrogen and self-interstitial interactions with edge dislocations in Ni: atomistic and elasticity comparisons
The interactions of hydrogen interstitial and self-interstitial with dissociated Shockley partial dislocations in fcc Ni were studied with embedded atom method calculations and the results were compared with those obtained from elasticity solutions. Such cross-correlations are important for efficient and accurate inclusion of the point defects into the dislocation dynamics simulations that are usually based on elasticity theories. The simulations were carried out using a dipole dislocation cell having periodic boundaries. The size effect, tetragonal distortions and the modulus effect were considered in the elasticity analysis. The results indicate that the elasticity solutions compare well with the atomistic results for the regions outside the Shockley partial cores, even though the interaction energies differed by approximately one order of magnitude for these two types of point defects. The range where the elasticity description of the interstitial-dislocation interaction breaks down was identified. In the self-interstitial case, the core reaction with the interstitial was observed, resulting in a larger core interaction range.
- Research Organization:
- Ames Laboratory (AMES), Ames, IA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- AC02-07CH11358
- OSTI ID:
- 977134
- Report Number(s):
- IS-J 7458
- Journal Information:
- Modelling and Simulation in Materials Science and Engineering, Journal Name: Modelling and Simulation in Materials Science and Engineering Journal Issue: 045002 Vol. 16; ISSN 0965-0393
- Country of Publication:
- United States
- Language:
- English
Similar Records
Interaction between point defects and edge dislocation in BCC iron
Effect of elastic fields of dislocations on the equilibrium configurations of self-interstitial atoms in cubic crystals. Part II. FCC copper crystal