Classical molecular dynamics study for defect sink behavior in oxide dispersed strengthened alloys

MM Azeem and ZY Li and QingyuWang and QMN Amjad and M Zubair and OMH Ahmed, PROCEEDINGS OF 2018 15TH INTERNATIONAL BHURBAN CONFERENCE ON APPLIED SCIENCES AND TECHNOLOGY (IBCAST), 12-15 (2018).

Oxide Dispersed Strengthened (ODS) alloys are considered as a potential candidate for future generation reactors and can even be graded as better radiation resistant materials than the ones already in use. Molecular dynamics (MD) simulation study for defect sink properties of ODS alloys have been investigated at 700K using LAMMPS (Atomic/Molecular massively parallel simulator software. SRIM (stopping range of ions in matter) code was used to see the approximate range of the ions and damage cascade profile. It has been observed that the oxide particle attracts vacancies/interstitials produced in the base matrix near the interface. The modeled structure looked amorphous near the interface but appears crystalline in the rest region. The modeled structure has defect sink property near the interface. The area for vacancy/interstitial cluster shrinks with the time evolution. Initially, the defects are found scattered near the interface but with time evolution, these recombine and annihilate. After the bombardment Fe atoms show better recover than the oxides, thus it could be concluded that Fe has more tendency to recover than oxide. This atomistic investigation would be beneficial to analyze the multiscale behavior determination of the materials being experimented under severe conditions. This defect sink behavior study would help to assess better radiation resistant materials for the current and future generation reactors.

Return to Publications page