Molecular dynamics simulation of primary radiation damage in Fe_Cr alloy

31st International Conference on Equations of State for Matter

Zolnikov, K.P.^1 ; Korchuganov, A.V.^1 ; Kryzhevich, D.S.^1

Institute of Strength Physics and Material Science, Siberian Branch, Russian Academy of Sciences, Akademicheskii 2/4, Tomsk

634021, Russia^1

关键词: Atomic displacement;    Damaged region;    Displacement cascades;    Iron chromium alloy;    Molecular dynamics simulations;    Point defect clusters;    Primary knock-on atoms;    Primary radiations;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/774/1/012130/pdf
DOI  :  10.1088/1742-6596/774/1/012130

来源: IOP

【 摘 要 】

The atomic displacement cascades generated by radiation in the iron-chromium alloy were studied using molecular dynamics simulation. Atomic displacement cascades were generated by the primary knock-on atom, which energy varied from 1 to 20 keV. The simulation of the dynamics of atomic displacement cascades and the calculation of the cascade parameters (durations of the main stages, the size of the radiation-damaged region) in the iron-chromium alloy were made for different energies of primary knock-on atom. Sizes of formed point defect clusters and their distribution in the crystallite volume were calculated. To study radiation damage in iron-chromium alloy caused by generation and evolution of displacement cascades we analyzed spatial and quantitative distribution of the generated point defects and their clusters.