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
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