The effect of Mo additions on the microstructures and mechanical properties of CoCrNi alloys was investigated, meanwhile, ab initio calculations are performed to quantitatively evaluate the lattice distortion and stacking fault energy (SFE). The yield strength, ultimate tensile strength, and elongation of (CoCrNi)₉₇Mo₃ alloy are 475 MPa, 983 MPa and 69 %, respectively. The yield strength is increased by ∼30 % and high ductility is maintained, in comparison with CoCrNi alloy. Besides the nano-twins and dislocations, the higher density of stacking faults is induced during the tensile deformation for (CoCrNi)₉₇Mo₃ alloy. Ab initio calculation results indicate the mean square atomic displacement (MSAD) and SFE value of (CoCrNi)₉₇Mo₃ alloy is 42.6 pm² and -40.4 mJ/m² at 0 K, respectively. The relationship between mechanical properties and MSAD, SFE for various multiple principal element alloys is discussed.

研究了添加钼对CoCrNi合金组织和力学性能的影响，同时进行了从头算，以定量评估晶格畸变和堆垛层错能（SFE）。（CoCrNi）₉₇ Mo ₃合金的屈服强度，极限拉伸强度和伸长率分别为475 MPa，983 MPa和69％。与CoCrNi合金相比，屈服强度提高了约30％，并保持了高延展性。（CoCrNi）₉₇ Mo ₃合金在拉伸变形过程中，除了纳米孪晶和位错以外，还引起更高密度的堆垛层错。从头算计算结果表明（CoCrNi）的均方原子位移（MSAD）和SFE值₉₇ Mo ₃合金在0 K时分别为42.6 pm ²和-40.4 mJ / m ²。讨论了多种多种主要元素合金的力学性能与MSAD，SFE之间的关系。