硅烯
材料科学
极限抗拉强度
分子动力学
模数
石墨烯
硅
复合材料
拉伸试验
杨氏模量
纳米技术
计算化学
化学
冶金
摘要
Silicene, a two-dimensional allotrope and silicon counterpart of graphene, has recently attracted scientists all over the world due to its superior material properties and thus can be a potential applicant as a reinforcing agent. The mechanical properties of silicene have been studied using several testings (tensile, bending, oscillation, and equilibrium) through the molecular dynamics (MD) simulation technique. Plastic flow occurs, and 46% elongation is observed in a silicene sheet with dimensions of (200 × 700) Å for room temperature (298 K) tensile testing. The yield strength, ultimate tensile strength, Young's modulus (E), cohesive energy, and bulk modulus are found to be 18.28 GPa, 23.96 GPa, 5.25 TPa, 3.72 eV atom−1, and 3.62 TPa, respectively. For the same sample, a Poisson ratio of 0.75 is observed. An ultrahigh mechanical strength of silicene, even higher than the previously predicted value of 0.178 TPa, is observed in this study.
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