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用嵌入原子势(EAM)表达的晶体结构力学稳定性判据肯定了AVoter等人给出的铝原子的嵌入原子势的可靠性,计算了铝单晶体的力学性质,铝单晶沿[100]方向受单轴外力作用,当外力为压应力时,其结构发生转变,产生两个不稳定的新结构相BCC和BCT;外力为张应力时,铝单晶产生均匀形变,其形变达14.42%时材料断裂,相应的理论拉伸强度为0.64×104MPa。由计算结果确定了与铝原子EAM势的适用范围相对应的a1取值范围为0.358~0.473nm。
The mechanical stability of aluminum atoms expressed by AVoter et al. Is confirmed by the mechanical stability criterion of crystal structure expressed by embedded atomic potential (EAM). The mechanical properties of aluminum single crystal are calculated. Under the action of uniaxial external force, when the external force is compressive stress, the structure changes, resulting in two unstable new phase BCC and BCT. When the external stress is tensile stress, the aluminum single crystal produces uniform deformation and its deformation reaches 14.42 % Of the material fracture, the corresponding theoretical tensile strength of 0.64 × 104MPa. From the calculation results, it is confirmed that a1 corresponding to the applicable range of the EAM potential of the aluminum atom has a value in the range of 0.358-0.473 nm.