A van der Waals contact-bond model for low-dimensional nanoscale carbon materials based on the quasi-continuum method
A van der Waals contact-bond model for low-dimensional nanoscale carbon materials based on the quasi-continuum method
复制标题
基于准连续介质方法的低维纳米碳材料范德华接触键模型
DOI：
10.1557/jmr.2019.360
复制
发表时间：
2019-12
影响因子：
2.7
通讯作者：
胡丽芬
中科院分区：
文献类型：
--
作者：
王向阳;齐慧博;孙忠玉;胡丽芬
为了发展一种高效、精确的准连续介质方法来求解低维纳米碳材料的接触问题，本文提出了一种货车德瓦尔斯接触键模型。这种方法可以包含纳米和微米结构的重要信息，如键合碳原子的相互作用和长程货车范德华效应，这通常是均匀化和忽略在连续介质方法。原子系统的自由度可以显着降低，因此，该模型是有利于快速模拟和大规模计算的碳纳米组件。采用高阶Cauchy-Born规则建立了几何一致性本构模型，并建立了基于局部Petrov-Galerkin的无网格碳纳米系统力学响应计算框架.采用解析法推导了结构的刚度矩阵，并采用Newton-Raphson迭代法求解增量控制方程。因此，这种方法比分子动力学模拟等N^2阶方法要快得多.
In order to develop an efficient and accurate quasi-continuum approach for contact problems of low-dimensional nanoscale carbon materials, a van der Waals contact-bond model is proposed in this study. This method can involve the important information of nano- and micro-structures, such as the bonded carbon atom interactions and the long-range van der Waals effect, which is usually homogenized and neglected in continuum methods. The degree of freedom of the atomic systems can be reduced dramatically; therefore, the model is beneficial for rapid simulations and large-scale computations of carbon nano-components. The so-called higher-order Cauchy–Born rule is used to establish the geometrically consistent constitutive model, and a meshless local Petrov–Galerkin-based computational framework is constructed for the mechanical responses of carbon nanoscale systems. The stiffness matrix is derived analytically, and the incremental governing equation is solved with the Newton–Raphson iteration method. Consequently, this method is much faster than order- N ^2 approaches such as molecular dynamic simulation.
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影响因子：
3.7
作者：
Liew, KM;Wong, CH;Meguid, SA
通讯作者：
Meguid, SA
DOI：
10.1016/j.cma.2008.02.003
发表时间：
2008-06
影响因子：
7.2
作者：
Yuzhou Sun;K. Liew
通讯作者：
Yuzhou Sun;K. Liew
影响因子：
3.3
作者：
Xiangyang Wang;Xu Guo
通讯作者：
Xiangyang Wang;Xu Guo
DOI：
10.1016/j.cma.2003.12.037
发表时间：
2004-01-01
影响因子：
7.2
作者：
Liu, B;Huang, Y;Hwang, KC
通讯作者：
Hwang, KC
影响因子：
13.1
作者：
K. Lau;M. Chipara;H. Ling;D. Hui
通讯作者：
K. Lau;M. Chipara;H. Ling;D. Hui