Xin Wang^1,*, H. Fan¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09986

Abstract Precipitates play an important role in the evolution of irradiation-induced defects and mechanical property of irradiated metals. In this work, the effects of a Zr2Cu precipitate on the production and subsequent evolution of cascade-induced point defects (vacancies and interstitials) in ZrCu alloy were investigated by molecular dynamics simulations at room temperature. The simulation results show that the precipitate increases the number of residual point defects at the end of cascade. However, most of the residual defects reside in the precipitate and near precipitate boundary. In the matrix, more interstitials survive than vacancies. In addition, a defect-free region is seen in… More >

E. Kuramoto, K. Ohsawa, T. Tsutsumi¹

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.2, pp. 193-200, 2002, DOI:10.3970/cmes.2002.003.193

Abstract In order to investigate the interaction of point defects with a dislocation, an interstitial cluster or a SFT (stacking fault tetrahedron), computer simulation has been carried out in model Fe and Ni crystals. The capture zone (the region where the interaction energy is larger than kT) was determined for various interactions. Calculated capture zone for T =500°C for SIAs (crowdion and dumbbell) around a straight edge dislocation is larger than that for a vacancy in both Fe and Ni. Capture zones for Ni are larger than those for Fe, suggesting that Ni (fcc) has a larger dislocation bias factor than… More >