Molecular dynamics simulations have been employed to investigate displacement cascades in Ni3Al, with energy Ep in the range from 0.15 to 10 keV. The efficiency of production of Frenkel pairs declines with the increas...Molecular dynamics simulations have been employed to investigate displacement cascades in Ni3Al, with energy Ep in the range from 0.15 to 10 keV. The efficiency of production of Frenkel pairs declines with the increasing cascade energy in a fashion similar to that found recently for pure metals. The antisite defects are much more numerous than the Frenkel pairs, and their production efficiency increases with the increasing cascade energy. A new empirical relationship between the defect number and damage energy is proposed, namely Ndefect = AEpm. A high proportion of the atomic mixing occurs in the ballistic phase and is larger for the Ni atoms, implying that the phenomenon is not purely a liquid-like process.展开更多
基金Project supported by the National Natural Science Foundation of China.
文摘Molecular dynamics simulations have been employed to investigate displacement cascades in Ni3Al, with energy Ep in the range from 0.15 to 10 keV. The efficiency of production of Frenkel pairs declines with the increasing cascade energy in a fashion similar to that found recently for pure metals. The antisite defects are much more numerous than the Frenkel pairs, and their production efficiency increases with the increasing cascade energy. A new empirical relationship between the defect number and damage energy is proposed, namely Ndefect = AEpm. A high proportion of the atomic mixing occurs in the ballistic phase and is larger for the Ni atoms, implying that the phenomenon is not purely a liquid-like process.
