Atomic simulation of mechanical properties of irradiated iron

Lei Ma (), Changsheng Li, Ailong Zhang and Wangyu Hu
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Lei Ma: Hunan Province Cooperative Innovation Center for the Construction & Development of Dongting, Lake Ecological Economic Zone, Hunan University of Arts and Science, Changde 415000, P. R. China
Changsheng Li: Hunan Province Cooperative Innovation Center for the Construction & Development of Dongting, Lake Ecological Economic Zone, Hunan University of Arts and Science, Changde 415000, P. R. China
Ailong Zhang: Hunan Province Cooperative Innovation Center for the Construction & Development of Dongting, Lake Ecological Economic Zone, Hunan University of Arts and Science, Changde 415000, P. R. China
Wangyu Hu: #x2020;College of Materials Science and Engineering, Hunan University, Changsha 410082, P. R. China

International Journal of Modern Physics C (IJMPC), 2020, vol. 31, issue 02, 1-9

Abstract: The mechanical properties of irradiated iron are studied by molecular dynamics simulation. The initial models are irradiated with the energy of primary knocked-on atoms (PKA) of 10keV at 100, 300, 500 and 600 K, and then all the irradiated models are subjected to tensile test. The results reveal that the mechanical properties of irradiated iron are changed compared with un-irradiated iron, the yield stress and strain decrease after irradiation, and the irradiation causes the hardening of micro-structure at low temperature and high temperature, but it results in the softening of structure at room temperature. The plastic reduces for irradiated iron under tensile test, more stacking faults are formed in the crystal structure as the temperature increases.

Keywords: Molecular dynamics; mechanical properties; irradiation damage (search for similar items in EconPapers)
Date: 2020
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DOI: 10.1142/S0129183120500278

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