%0 Journal Article
%T Atomistic Failure Mechanism of Single Wall Carbon Nanotubes with Small Diameters
%A JI Dong
%A GAO Xiang
%A KONG Xiang-Yang
%A LI Jia-Ming
%A <br>纪冬
%A 高翔
%A 孔向阳
%A 李家明
%J 中国物理快报
%D 2007
%I 
%X Single wall carbon nanotubes with small diameters (<5.0 ) subjected to bending deformation are simulated by orthogonal tight-binding molecular dynamics approach. Based on the calculations of C--C bond stretching and breaking in the bending nanotubes, we elucidate the atomistic failure mechanisms of nanotube with small diameters. In the folding zone of bending nanotube, a large elongation of C--C bonds occurs, accounting for the superelastic behaviour. The C--C bonds parallel to the axis direction of nanotube are broken firstly due to the sustained longitudinal stretching strain, giving rising to forming one-notch or two-notch bond-breaking mode depending on nanotube chiralities. The direct bond-breaking mechanism is responsible for the brittle fracture behaviour of nanotubes with small diameters.
%K 62
%K 25
%K +g
%K 61
%K 46
%K Fg<br>原子论
%K 小直径
%K 故障机构
%K 物理学
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=A6F1F92187EC7BB8AC5E586262D96891&yid=A732AF04DDA03BB3&vid=B91E8C6D6FE990DB&iid=CA4FD0336C81A37A&sid=31611641D4BB139F&eid=BBF7D98F9BEDEC74&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=0