Mechanical properties of self-irradiated single-crystal copper

Molecular dynamics simulations are performed to investigate the influence of irradiation damage on the mechanical properties of copper. In the simulation, the energy of primary knocked-on atoms （PKAs） ranges from 1 to 10 keV, and the results indicate that the number of point defects （vacancies and i...

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Bibliographic Details
Published in:Chinese physics B 2014-03, Vol.23 (3), p.435-440
Main Author: 李维娜 薛建明 王建祥 段慧玲
Format: Article
Language:English
Subjects:
COMPUTER SIMULATION
Copper
ELASTICITY
INTERSTITIALS
IRRADIATION
MECHANICAL PROPERTIES
Modulus of elasticity
PROPERTIES
Simulation
Single crystals
VACANCIES
分子动力学
压缩屈服应力
机械性能
杨氏模量
模拟分析
照射
辐照损伤
铜单晶
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Summary:Molecular dynamics simulations are performed to investigate the influence of irradiation damage on the mechanical properties of copper. In the simulation, the energy of primary knocked-on atoms （PKAs） ranges from 1 to 10 keV, and the results indicate that the number of point defects （vacancies and interstitials） increases linearly with the PKA energy. We choose three kinds of simulation samples： un-irradiated and irradiated samples, and comparison samples. The un-irradiated samples are defect-free, while irradiation induces vacancies and interstitials in the irradiated samples. It is found that due to the presence of the irradiation-induced defects, the compressive Young modulus of the single-crystal Cu increases, while the tensile Young modulus decreases, and that both the tensile and compressive yield stresses experience a dramatic decrease. To analyze the effects of vacancies and interstitials independently, the mechanical properties of the comparison samples, which only contain randomly distributed vacancies, are investigated. The results indicate that the vacancies are responsible for the change of Young modulus, while the interstitials determine the yield strain.
ISSN:1674-1056
2058-3834
1741-4199
DOI:10.1088/1674-1056/23/3/036101