Free standing nanoindentation of penta-graphene via molecular dynamics: Mechanics and deformation mechanisms

被引:11
作者
Han, Tongwei [1 ]
Li, Ren [1 ]
Zhang, Xiaoyan [2 ]
Scarpa, Fabrizio [3 ]
机构
[1] Jiangsu Univ, Fac Civil Engn & Mech, 301 Xuefu Rd, Zhenjiang 210013, Jiangsu, Peoples R China
[2] Jiangsu Univ, Sch Chem & Chem Engn, 301 Xuefu Rd, Zhenjiang 210013, Jiangsu, Peoples R China
[3] Univ Bristol, Bristol Composites Inst, Bristol BS8 1TR, England
关键词
Penta-graphene; Nanoindentation; Mechanical properties; Molecular dynamics; ELASTIC PROPERTIES; MONOLAYER MOS2; FILMS; STRENGTH; INDENTATION; BEHAVIOR;
D O I
10.1016/j.mechmat.2023.104628
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The deformation and fracture mechanisms of penta-graphene under different loading conditions are still unclear and not thoroughly investigated. Hereby, the mechanical and transition/failure deformation properties of penta-graphene are investigated by using free standing nanoindentation techniques simulated via molecular dynamics. The indentation behaviors of penta-graphene under spherical and cylindrical indenters are compared and analyzed parametrically by considering the effects of the spherical/cylindrical indenter size, the loading rate and temperature. The results show that penta-graphene under spherical and cylindrical indentation exhibits unusual plastic deformation characteristics, which are consistent with those previously observed under uniaxial tensile and shear loading. The plastic deformation is originated from the pentagon-to-polygon structural transformation occurring at large indentation depths. The force at failure of the penta-graphene under spherical indenter is significantly lower than the one observed under cylindrical indenter; this is due to the small interaction area and high stress concentration caused by spherical indenter. We also identify the indentation parameters to accurately predict the mechanical parameters of penta-graphene using spherical or cylindrical indenters, and how these parameters influence the nanoindentation results. It is found that under both spherical and cylindrical indenter the Young's modulus of the penta-graphene is not sensitive to the loading rate, but generally decreases with the increasing temperature.
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页数:9
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共 60 条
  • [1] Spherical indentation of freestanding circular thin films in the membrane regime
    Begley, MR
    Mackin, TJ
    [J]. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2004, 52 (09) : 2005 - 2023
  • [2] Bhatia N.M., 1968, International Journal of Non-Linear Mechanics, V3, P307
  • [3] Mechanical properties characterization of two-dimensional materials via nanoindentation experiments
    Cao, Guoxin
    Gao, Huajian
    [J]. PROGRESS IN MATERIALS SCIENCE, 2019, 103 (558-595) : 558 - 595
  • [4] Elastic Properties of Freely Suspended MoS2 Nanosheets
    Castellanos-Gomez, Andres
    Poot, Menno
    Steele, Gary A.
    van der Zant, Herre S. J.
    Agrait, Nicolas
    Rubio-Bollinger, Gabino
    [J]. ADVANCED MATERIALS, 2012, 24 (06) : 772 - 775
  • [5] Molecular-Dynamics Analysis of Nanoindentation of Graphene Nanomeshes: Implications for 2D Mechanical Metamaterials
    Chen, Mengxi
    Christmann, Augusto M.
    Muniz, Andre R.
    Ramasubramaniam, Ashwin
    Maroudas, Dimitrios
    [J]. ACS APPLIED NANO MATERIALS, 2020, 3 (04) : 3613 - 3624
  • [6] ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
    Chenoweth, Kimberly
    van Duin, Adri C. T.
    Goddard, William A., III
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (05) : 1040 - 1053
  • [7] When is 6 less than 5? Penta- to hexa-graphene transition
    Cranford, S. W.
    [J]. CARBON, 2016, 96 : 421 - 428
  • [8] On Estimations of the Melting Temperature of Graphene-Like Compounds
    Davydov, S. Yu.
    [J]. SEMICONDUCTORS, 2015, 49 (12) : 1634 - 1639
  • [9] Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide
    Erhart, P
    Albe, K
    [J]. PHYSICAL REVIEW B, 2005, 71 (03):
  • [10] Mechanical properties of suspended graphene sheets
    Frank, I. W.
    Tanenbaum, D. M.
    Van der Zande, A. M.
    McEuen, P. L.
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 2007, 25 (06): : 2558 - 2561