Irradiation Resistance of CoCrCuFeNi High Entropy Alloy under Successive Bombardment

doi:10.1007/s40195-023-01577-w

Abstract

Abstract:

With the excellent irradiation resistance due to the chemical complexity, high entropy alloys have attracted considerable attention in the design of nuclear structural materials. However, their performance under successive bombardments remains elusive. In this study, we have investigated the irradiation resistance of equiatomic CoCrCuFeNi HEA compared with Ni metal using molecular dynamics simulations. The evolution of defects such as point defects, defect clusters and dislocations after 400 times of bombardments is examined. The results show that CoCrCuFeNi has fewer point defects than Ni does. Moreover, CoCrCuFeNi has smaller interstitial clusters size, lower interstitial-type Frank partial dislocation density, shorter average interstitial-type Frank partial dislocation length and higher average vacancy formation energy. These findings suggest that CoCrCuFeNi has superior radiation resistance under successive bombardments due to its high entropy effect.

Key words: High entropy alloys, Irradiation resistance, Defects, Dislocations

Rui Li, Lei Guo, Yu Liu, Qingsong Xu, Qing Peng. Irradiation Resistance of CoCrCuFeNi High Entropy Alloy under Successive Bombardment[J]. Acta Metallurgica Sinica (English Letters), 2023, 36(9): 1482-1492.

Figures/Tables 9

Fig. 1 Schematic plot of the procedure of CoCrCuFeNi and Ni under successive bombardments

Fig. 2 Evolution of the number of point defects in CoCrCuFeNi and Ni with respect to the number of bombardments

Fig. 3 Size distribution of defect clusters in CoCrCuFeNi and Ni. a and b Number of interstitials with different sizes in CoCrCuFeNi and Ni, respectively. c and d Number of interstitials and vacancies of defect clusters with different sizes in CoCrCuFeNi and Ni after 400 times of bombardments

Fig. 4 Formation energy of interstitial and vacancy in CoCrCuFeNi and Ni. a Formation energy of interstitial dumbbell pair. Average represents the average formation energy of 15 kinds of dumbbell pairs in CoCrCuFeNi. The purple dotted line is the formation energy of Ni. b A schematic diagram of the formation of interstitial dumbbell pair. c Formation energy of vacancy. Average represents the average formation energy of the 5 kinds of vacancy defects in CoCrCuFeNi. The purple dotted line is the formation energy of Ni

Fig. 5 Diffusion of interstitial in CoCrCuFeNi and Ni. a The mean square displacement of interstitial in CoCrCuFeNi at 800-1200 K. b The mean square displacement of interstitial in Ni. c The relationship between diffusion coefficient and temperature

Fig. 6 Distribution of point defects and dislocations in CoCrCuFeNi. a-d after 100, 200, 300, 400 times of bombardment, respectively. Light blue, red atoms represent interstitials and vacancies. Green, purple, light blue, yellow and blue lines represent 1/6 < 112 > Shockley, 1/6 < 110 > Stair-rod, 1/3 < 111 > Frank, 1/3 < 100 > Hirth and 1/2 < 110 > perfect dislocation, respectively

Fig. 7 Distribution of point defects and dislocations in Ni. a-d 100, 200, 300, 400 times of bombardment, respectively. The dots and lines represent the same meaning with Fig. 6

Fig. 8 Statistics of dislocations in CoCrCuFeNi and Ni during the bombardment process. a-c Dislocation number density, dislocation density and the average length of Shockley dislocations, respectively. d-f Dislocation number density, dislocation density and the average length of Frank dislocations, respectively

Fig. 9 Speed of edge dislocations in CoCrCuFeNi and Ni under shear stresses

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