Plasticity in carbon nanotubes: Cooperative conservative dislocation motion

被引:16
作者
Chen, Shuo [1 ]
Ertekin, Elif [2 ]
Chrzan, D. C. [1 ]
机构
[1] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA
[2] Univ Calif Berkeley, Berkeley Nanosci & Nanoengn Inst, Berkeley, CA 94720 USA
基金
美国国家科学基金会;
关键词
TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; TOPOLOGICAL DEFECTS; ULTIMATE STRENGTH; GRAPHENE;
D O I
10.1103/PhysRevB.81.155417
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Monte Carlo simulations are used to study dislocation glide mediated plasticity in carbon nanostructures. A detailed analysis of the simulations leads to identification of a type of defect, a dislocation screened by multiple dislocation dipoles, as the mediator of plastic deformation. The defects appear under high stress conditions. The appearance of these defects is rationalized in terms of the competition between dislocation core energy and the buckling inherent to dislocation motion within an essentially two-dimensional membrane. These defects thus represent a deformation mechanism that is uniquely found in nominally two-dimensional nanostructures. The influence of these defects on the predicted mechanical properties of carbon nanostructures is discussed.
引用
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页数:8
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