Molecular Dynamics Simulation Study on the Possible Factors Affecting Stability of ODS Steel

2018 2nd International Conference on Advanced Technologies in Manufacturing and Materials Engineering

Mustafa Azeem, M.^1 ; Li, Zhongyu^1 ; Wang, Qingyu^1 ; Hussian, Abid^1

College of Nuclear Science and Technology, Harbin Engineering University, 150001, China^1

关键词: Atomic levels;    Candidate materials;    Molecular dynamics simulations;    Ods steels;    Radiation resistant properties;    Radiation stability;    Size dependence;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/389/1/012003/pdf
DOI  :  10.1088/1757-899X/389/1/012003

来源: IOP

【 摘 要 】

Oxide-dispersed-strengthened (ODS) steel has excellent mechanical, thermodynamic and radiation resistant properties, which makes it an important candidate material for high-Temperature reactors applications. Radiation stability of oxide is very important to study at the atomic level. In present case molecular dynamics (MD) simulation is used to study stabilities of Y2O3 particles in ODS steel as a function of particle sizes. The size dependence is obvious for particle sizes larger than 2.8 nm. Furthermore, the stabilities depend on charges of Y and O atoms.