Point defect effects on tensile strength of α−zirconium studied by molecular dynamics simulations

Abstract Vacancy, interstitial, and Frenkel pair effects on the tensile strength of α − Zr are studied by molecular dynamics simulations. The uni-axial tensile load is along [0001] direction of the α − Zr samples. The yield stresses and the corresponding yield strains decrease with the increase of the defect concentration for the three types of point defects studied. With the same defect concentration, interstitials decrease the tensile strength the most seriously compared with the vacancies and Frenkel pairs. Interstitial clusters form dislocation loops which decrease the uni-axial tensile strength.