A molecular dynamics study of helium bubble stability during high-energy displacement cascades in alpha-iron

摘要

The interactions of high-energy displacement cascades with helium bubbles in alpha-Fe are investigated using molecular dynamics simulations. Initial bubbles with volumes 212 and 636 angstrom(3) are considered, and the helium-to-vacancy (He/V) ratio in the bubbles varies from 0.5 to 3. Primary knock-on atom (PKA) energy, E-p, is up to 40 keV. The results show that the change of nm-sized He bubbles due to displacement cascades does not depend much on the bubble size, but rather on the He/V ratio and the recoil energy. For the initial He/V ratio less than 1, the size of the bubbles decreases with increasing PKA energy, but the He/V ratio increases. However, for the initial He/V ratio of 3, the size of the bubbles increases, and the He/V ratio decreases with PKA energy. For the initial He/V ratio of 1, the ratio of the small bubble decreases slightly, but the ratio of the large bubble remains unchanged for lower PKA energy, and increases slightly for higher PKA energy. The reasons for these observed phenomena have been explained. (c) 2007 Elsevier B.V. All rights reserved.