First-Principles Study of the Structural Stability and Electronic and Elastic Properties of Helium in α-Zirconium

Table 4

Elastic constants 𝐶_𝑖𝑗 (in GPa) of 𝛼-Zr and Zr-V-He systems.

	𝐶11	𝐶33	𝐶12	𝐶13	𝐶44
𝛼-Zr	138.22	145.17	65.62	70.27	25.14
Zr53V	143.05	149.01	58.64	66.04	28.81
Zr53VHe	143.77	145.08	56.57	64.92	28.35
Zr53VHe2	140.19	143.75	59.50	62.12	25.75
Zr53VHe3	144.53	153.28	55.23	61.13	26.91
Zr53VHe4	136.59	148.77	59.81	61.94	21.63
Zr53VHe5	133.72	144.20	61.79	60.91	21.08
Zr53VHe6	130.54	151.16	62.97	58.95	18.63