[S3] S3 Materials DX for the research and development of structural materials for extreme environment(IV)

11:25 AM - 11:40 AM JST(2:25 AM - 2:40 AM UTC)

[S3.6] Effect of Oxidation on Deformation Behavior of Molybdenum Phase within MoSiBTiC Alloy by Reactive MD Simulations

○Keaki Watanabe¹, Shogo Fukushima¹, Yusuke Ootani¹, Nobuki Ozawa², Momoji Kubo^1,2 (1. IMR, Tohoku univ., 2. NICHe, Tohoku univ.)

Keywords:

MoSiBTiC alloys,Molecular dynamics method,Molybdenum,Mechanochemical reactions

The matrix phase of the MoSiBTiC alloy is molybdenum, which has a high affinity for oxygen. A high temperature oxygen environment may cause environmentally assisted cracking in the alloy. Therefore, we performed tensile simulations of molybdenum in vacuum and oxygen environments using reactive MD to analyze effects of oxidation on the deformation.