The Gaussian stiffness of graphene deduced from a continuum model based on Molecular Dynamics potentials

Davini Cesare; Favata Antonino; Paroni Roberto

首页> 外文期刊>Journal of the Mechanics and Physics of Solids >The Gaussian stiffness of graphene deduced from a continuum model based on Molecular Dynamics potentials

【24h】

The Gaussian stiffness of graphene deduced from a continuum model based on Molecular Dynamics potentials

机译：基于分子动力学势的连续模型推导的石墨烯高斯刚度

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

We consider a discrete model of a graphene sheet with atomic interactions governed by a harmonic approximation of the 2nd-generation Brenner potential that depends on bond lengths, bond angles, and two types of dihedral angles. A continuum limit is then deduced that fully describes the bending behavior. In particular, we deduce for the first time an analytical expression of the Gaussian stiffness, a scarcely investigated parameter ruling the rippling of graphene, for which contradictory values have been proposed in the literature. We disclose the atomic-scale sources of both bending and Gaussian stiffnesses and provide for them quantitative evaluations.

机译：我们考虑了具有原子相互作用的石墨烯片的离散模型，该模型由第二代布伦纳势能的谐波近似决定，该函数取决于键长，键角和两种二面角。然后得出一个连续极限，该极限完全描述了弯曲行为。特别是，我们首次推导了高斯刚度的解析表达式，这是一个鲜有研究的关于石墨烯波纹的参数，文献中已经提出了与此矛盾的值。我们公开了弯曲刚度和高斯刚度的原子尺度来源，并为他们提供了定量评估。

著录项

来源
《Journal of the Mechanics and Physics of Solids》 |2017年第7期|96-114|共19页
作者
Davini Cesare; Favata Antonino; Paroni Roberto;
展开▼
作者单位

Via Parenzo 17, Udine, Italy;

Department of Structural and Geotechnical Engineering, Sapienza University of Rome, Rome, Italy;

Dipartimento di Architettura, Design e Urbanistica, University of Sassari, Alghero (SS), Italy;

展开▼
收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);
原文格式 PDF
正文语种 eng
中图分类
关键词
Continuum modeling; Gaussian stiffness; Graphene;

机译：连续体建模;高斯刚度;石墨烯;

相似文献

外文文献
中文文献
专利

1. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials. [J] . Hassan SA, Mehler EL, Zhang D, Proteins: Structure, Function, and Genetics . 2003,第1期

机译：基于筛选的库仑电势的具有连续静电模型的肽和蛋白质的分子动力学模拟。
2. A novel combined molecular dynamics-micromechanics method for modeling of stiffness of graphene/epoxy nanocomposites with randomly distributed graphene [J] . M.M. Shokrieh, Z. Shokrieh, S.M. Hashemianzadeh Materials & design . 2014,第deca期

机译：一种新的结合分子动力学-微力学方法的石墨烯/环氧纳米复合材料刚度分布随机的石墨烯刚度模型
3. Size- and edge-effect cohesive energy and shear strength between graphene, carbon nanotubes and nanofibers: Continuum modeling and molecular dynamics simulations [J] . Chen Yinfeng, Ding Dongqing, Zhu Chunhua, Composite Structures . 2019,第JANa期

机译：石墨烯，碳纳米管和纳米纤维之间的尺寸效应和边缘效应内聚能以及剪切强度：连续模型和分子动力学模拟
4. A non-stiff cytoskeleton-based continuum computational modeling for the dynamics of erythrocytes in strong viscous ows [C] . Panagiotis Dimitrakopoulos, Walter R. Dodson III American Institute of Chemical Engineers Annual Meeting . 2009

机译：基于非僵硬的细胞骨架的连续体计算建模，用于强粘性OWS的红细胞动态
5. Multiscale Damage and Fracture Modeling of Polyethylene Using Molecular Dynamics Simulations and Continuum Internal State Variable Theory [D] . Bowman, Andrew Lee 2019

机译：聚乙烯的多尺度损伤和断裂建模的分子动力学模拟和连续内部状态变量理论
6. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces [O] . Alexander White, Sergei Tretiak, Dmitry Mozyrsky 2016

机译：非绝热分子动力学的耦合波包：高斯波包动力学到多个势能面的推广
7. The Gaussian stiffness of graphene deduced from a continuum model based on Molecular Dynamics potentials [O] . Davini, Cesare, Favata, Antonino, Paroni, Roberto 2017

机译：基于分子动力学势的连续模型推导的石墨烯高斯刚度

The Gaussian stiffness of graphene deduced from a continuum model based on Molecular Dynamics potentials

摘要

著录项

相似文献

相关主题

期刊订阅