Atomistic study of the in-plane mechanical properties and deformation behaviors of nanohoneycomb Au

作者：Yang, Zhenyu; Zheng, Lingli; Hu, Dayong^*

来源：Computational Materials Science, 2017, 137: 179-185.

DOI：10.1016/j.commatsci.2017.05.024

• Nanohoneycombs
• Size dependence
• Mechanical properties
• Deformation mechanism
• Molecular dynamics

Recent experiments revealed that the mechanical properties of nanoporous materials are controlled not only by the relative density but also by the characteristic length of the interior nanostructure. In this paper, molecular dynamics simulations are employed to characterize the unique mechanical properties of nanohoneycombs (NHCs) with regular hexagonal holes. The effects of relative density on the elastic modulus and strength are discussed systematically. The results of numerical simulations of the Young's modulus are consistent with theoretical predictions by continuum theory. Moreover, the MD simulations also reveal the size-dependent yield stress of NHCs, while the Young's moduli show no obvious dependence on the thickness of the cell walls. In addition, the numerical simulation results also present the plastic deformation mechanism of NHCs at atomistic level. This study suggests that the mechanical properties of NHCs materials depend not only on the relative density, but also on the nano-structure inside the materials, which is expected to be helpful for the design of NHCs materials with excellent mechanical performance.

• 出版日期2017-9
• 单位北京航空航天大学