Characterization of Optimal Carbon Nanotubes Under Stretching and Validation of the Cauchy-Born Rule

被引:4
作者
Friedrich, Manuel [1 ]
Mainini, Edoardo [2 ]
Piovano, Paolo [3 ]
Stefanelli, Ulisse [3 ,4 ]
机构
[1] Univ Munster, Appl Math Munster, Einsteinstr 62, D-48149 Munster, Germany
[2] Univ Genoa, Dipartimento Ingn Meccan Energet Gest & Trasporti, Via All Opera Pia 15, I-16145 Genoa, Italy
[3] Univ Vienna, Fac Math, Oskar Morgenstern Pl 1, A-1090 Vienna, Austria
[4] CNR, Ist Matemat Applicata & Tecnol Informat E Magenes, V Ferrata 1, I-27100 Pavia, Italy
基金
奥地利科学基金会;
关键词
BOND LENGTHS; MECHANICAL-PROPERTIES; YOUNGS MODULUS; SHELL THEORY; C-60; ENERGY; MODEL; SIMULATION; DERIVATION; GEOMETRIES;
D O I
10.1007/s00205-018-1284-7
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
Carbon nanotubes are modeled as point configurations and investigated by minimizing configurational energies including two- and three-body interactions. Optimal configurations are identified with local minima and their fine geometry is fully characterized in terms of lower-dimensional problems. Under moderate tension, we prove the existence of periodic local minimizers, which indeed validates the so-called Cauchy-Born rule in this setting.
引用
收藏
页码:465 / 517
页数:53
相关论文
共 78 条
[31]   Validity and failure of the Cauchy-Born hypothesis in a two-dimensional mass-spring lattice [J].
Friesecke, G ;
Theil, F .
JOURNAL OF NONLINEAR SCIENCE, 2002, 12 (05) :445-478
[32]   A theorem on geometric rigidity and the derivation of nonlinear plate theory from three-dimensional elasticity [J].
Friesecke, G ;
James, RD ;
Müller, S .
COMMUNICATIONS ON PURE AND APPLIED MATHEMATICS, 2002, 55 (11) :1461-1506
[33]   The rise of graphene [J].
Geim, A. K. ;
Novoselov, K. S. .
NATURE MATERIALS, 2007, 6 (03) :183-191
[34]   Recent development in 2D materials beyond graphene [J].
Gupta, Ankur ;
Sakthivel, Tamilselvan ;
Seal, Suclipta .
PROGRESS IN MATERIALS SCIENCE, 2015, 73 :44-126
[35]   Computational modeling of elastic properties of carbon nanotube/polymer composites with interphase regions. Part I: Micro-structural characterization and geometric modeling [J].
Han, Fei ;
Azdoud, Yan ;
Lubineau, Gilles .
COMPUTATIONAL MATERIALS SCIENCE, 2014, 81 :641-651
[36]   HELICAL MICROTUBULES OF GRAPHITIC CARBON [J].
IIJIMA, S .
NATURE, 1991, 354 (6348) :56-58
[37]   Objective structures [J].
James, R. D. .
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2006, 54 (11) :2354-2390
[38]   The effect of nanotube radius on the constitutive model for carbon nanotubes [J].
Jiang, H ;
Zhang, P ;
Liu, B ;
Huang, Y ;
Geubelle, PH ;
Gao, H ;
Hwang, KC .
COMPUTATIONAL MATERIALS SCIENCE, 2003, 28 (3-4) :429-442
[39]   Bond lengths of armchair single-waled carbon nanotubes and their pressure dependence [J].
Jindal, V. K. ;
Imtani, Ali Nasir .
COMPUTATIONAL MATERIALS SCIENCE, 2008, 44 (01) :156-162
[40]   SYMMETRY PROPERTIES OF CHIRAL CARBON NANOTUBES [J].
JISHI, RA ;
DRESSELHAUS, MS ;
DRESSELHAUS, G .
PHYSICAL REVIEW B, 1993, 47 (24) :16671-16674