First-principles study on elastic and mechanical properties of V-5Cr-5Ti Alloy
V-5Cr-5Ti alloy is one of the main candidate structural materials for the first cladding of nuclear fusion reactor,but the theoretical research is relatively few on its mechanical properties.In this paper,the elas-tic constants,bulk modulus,shear modulus,Young's modulus,Poisson's ratio and Cauchy pressure of V-5Cr-5Ti alloy are calculated by using the random solid solution model and the first-principle method,and com-pared with the calculated correlation values of pure vanadium.The results show that V-5Cr-5Ti alloy has good plasticity and strength,but its plasticity is slightly lower than that of pure vanadium.The results show that the plasticity and strength of V-5Cr-5Ti alloy are reduced in varying degrees due to the addition of oxygen atom.Finally,the theoretical strengths of V-5Cr-5Ti alloy and pure vanadium are calculated,and the stress-strain diagrams of them are drawn.The above conclusion is verified again by comparison.