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Chin. Phys. B, 2021, Vol. 30(5): 056111    DOI: 10.1088/1674-1056/abf10d
Special Issue: SPECIAL TOPIC — Ion beam modification of materials and applications
SPECIAL TOPIC—Ion beam modification of materials and applications Prev   Next  

Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni-Fe-Cr alloys

Shijun Zhao(赵仕俊)
Department of Mechanical Engineering, City University of Hong Kong, Hong Kong, China
Abstract  Concentrated solid-solution alloys (CSAs) have demonstrated promising irradiation resistance depending on their compositions. Under irradiation, various defects can be produced. One of the most important parameters characterizing the defect production and the resulting defect number is the threshold displacement energies (Ed). In this work, we report the results of Ed values in a series of Ni-Fe-Cr concentrated solid solution alloys through molecular dynamics (MD) simulations. Based on several different empirical potentials, we show that the differences in the Ed values and its angular dependence are mainly due to the stiffness of the potential in the intermediate regime. The influences of different alloying elements and temperatures on Ed values in different CSAs are further evaluated by calculating the defect production probabilities. Our results suggest a limited influence of alloying elements and temperature on Ed values in concentrated alloys. Finally, we discuss the relationship between the primary damage and Ed values in different alloys. Overall, this work presents a thorough study on the Ed values in concentrated alloys, including the influence of empirical potentials, their angular dependence, temperature dependence, and effects on primary defect production.
Keywords:  irradiation effects      molecular dynamics      threshold displacement energies      concentrated high-entropy alloys  
Received:  11 January 2021      Revised:  19 March 2021      Accepted manuscript online:  23 March 2021
PACS:  61.72.-y (Defects and impurities in crystals; microstructure)  
  61.80.-x (Physical radiation effects, radiation damage)  
  61.82.-d (Radiation effects on specific materials)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11975193), City University of Hong Kong (Grant No. 9610425), Research Grants Council of Hong Kong, China (Grant No. 21200919), Guangdong Basic and Applied Basic Research Foundation, China (Grant No. 2019A1515011528), Shenzhen Basic Research Program (Grant No. JCYJ20190808181601662), and Sichuan Science and Technology Program (Grant No. 2021YJ0516).
Corresponding Authors:  Shijun Zhao     E-mail:

Cite this article: 

Shijun Zhao(赵仕俊) Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni-Fe-Cr alloys 2021 Chin. Phys. B 30 056111

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