Classical molecular dynamics study for defect sink behavior in oxide dispersed strengthened alloys
作者： M Mustafa Azeem , Zhongyu Li , Qingyu Wang , Qazi Muhammad Nouman Amjad , Muhammad Zubair
DOI: 10.1109/IBCAST.2018.8312177
关键词: Amorphous solid 、 Vacancy defect 、 Sink (geography) 、 Time evolution 、 Ion 、 Molecular dynamics 、 Oxide 、 Chemical physics 、 Cascade 、 Materials science
摘要: Oxide Dispersed Strengthened (ODS) alloys are considered as a potential candidate for future generation reactors and can even be graded better radiation resistant materials than the ones already in use. Molecular dynamics (MD) simulation study defect sink properties of ODS have been investigated at 700K using LAMMPS (Atomic/Molecular massively parallel simulator software. SRIM (stopping range ions matter) code was used to see approximate damage cascade profile. It has observed that oxide particle attracts vacancies/interstitials produced base matrix near interface. The modeled structure looked amorphous interface but appears crystalline rest region. property area vacancy/interstitial cluster shrinks with time evolution. Initially, defects found scattered evolution, these recombine annihilate. After bombardment Fe atoms show recover oxides, thus it could concluded more tendency oxide. This atomistic investigation would beneficial analyze multiscale behavior determination being experimented under severe conditions. help assess current reactors.
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