To realize nuclear reactor materials, it is very important to simulate their physical and chemical properties before actual experiments, because the materials are irradiated very strongly and it is very time consuming to test all the possible cases. We have performed molecular dynamics (MD) simulation to predict the movements of interstitial atoms and vacancies to investigate basic behaviors of nuclear reactor materials with dislocations under strong irradiation. To overcome the difficulty to determine the necessary potential parameters under extreme conditions, the first-principles molecular dynamics is applied to trace the movement of defects in Fe crystal.
|Number of pages||10|
|Journal||Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms|
|Publication status||Published - 1999 Jun|
|Event||Proceedings of the 1998 4th International Conference on Computer Simulation of Radiation Effects in Solids (COSIRES) - Okayama, Jpn|
Duration: 1998 Sep 15 → 1998 Sep 19
ASJC Scopus subject areas
- Nuclear and High Energy Physics