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Discussion on “Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics” by Namnabat et al. Carbon Letters, https://doi.org/10.1007/s42823-020-00194-2
Carbon Letters ( IF 4.5 ) Pub Date : 2021-02-19 , DOI: 10.1007/s42823-021-00233-6
S. N. Korobeynikov

Namnabat et al. (cf., [Carbon Letters, https://doi.org/10.1007/s42823-020-00194-2]) employ the classical approach of Li and Chou (cf., [Int J Solids Struct 40: 2487–2499]) to the implementation of the molecular structural mechanics method using the Bernoulli–Euler beam elements for nonlinear buckling analysis of double-layered graphene nanoribbons. However, more recent studies by Eberhardt and Wallmersperger (cf., [Carbon 95: 166–180]) and others (see, e.g., [Int J Eng Sci 133: 109–131]) have shown that the classical approach of Li and Chou poorly reproduces both in-plane and out-of-plane mechanical moduli of graphene. We have shown that the 2D beam-based hexagonal material used by Namnabat et al. poorly simulates the mechanical moduli of graphene, especially the bending rigidity modulus, and this material cannot be used for the buckling simulation of graphene sheets (or nanoribbons). In addition, it is noted that in Int J Eng Sci 133: 109–131, a modification of the classical approach of Li and Chou is given which exactly reproduces both in-plane (2D Young’s modulus and Poisson’s ratio) and out-of-plane (bending rigidity modulus) mechanical moduli of graphene using beam elements.



中文翻译:

Namnabat等人讨论了“基于分子力学的双层石墨烯纳米带的非线性屈曲分析”。Carbon Letters,https://doi.org/10.1007/s42823-020-00194-2

Namnabat等。(参见[Carbon Letters,https://doi.org/10.1007/s42823-020-00194-2])采用了Li和Chou的经典方法(参见[Int J Solids Struct 40:2487–2499] ),以利用伯努利-欧拉梁单元对双层石墨烯纳米带进行非线性屈曲分析的分子结构力学方法的实施。但是,Eberhardt和Wallmersperger(参见[Carbon 95:166–180])和其他研究(参见例如[Int J Eng Sci 133:109–131])的最新研究表明,李和Chou几乎无法再现石墨烯的面内和面外机械模量。我们已经证明Namnabat等人使用的基于二维梁的六角形材料。不能很好地模拟石墨烯的机械模量,尤其是抗弯刚度模量,该材料不能用于石墨烯片(或纳米带)的屈曲模拟。此外,应注意的是,在Int J Eng Sci 133:109-131中,对Li和Chou的经典方法进行了修改,可以精确地再现平面内(二维杨氏模量和泊松比)和非平面使用梁单元的石墨烯的平面(弯曲刚度模量)机械模量。

更新日期:2021-02-19
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