Stone-Wales transformation: Precursor of fracture in carbon nanotubes

J. Song; H. Jiang; D.-L. Shi; X.-Q. Feng; Y. Huang; M.-F. Yu; K.-C. Hwang

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Stone-Wales transformation: Precursor of fracture in carbon nanotubes

机译：Stone-Wales转换：碳纳米管断裂的先兆

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The fracture strain of carbon nanotubes (CNTs) obtained by molecular dynamics is about 30%, which is much higher than the experimental results (10-13%). The present study shows that this difference results mainly from defects in CNTs. As the tensile strain reaches a few percent, defects are nucleated in the form of Stone-Wales transformation (90° rotation of a bond). A bond in the vicinity of rotated bond breaks as the tensile strain reaches about 13%, which agrees well with the experimental results. Therefore, the Stone-Wales transformation is the precursor of CNT fracture.

机译：通过分子动力学获得的碳纳米管的断裂应变约为30％，远高于实验结果（10-13％）。本研究表明，这种差异主要是由于碳纳米管中的缺陷引起的。当拉伸应变达到百分之几时，缺陷会以Stone-Wales相变的形式成核（键旋转90°）。当拉伸应变达到约13％时，旋转键附近的键断裂，这与实验结果非常吻合。因此，Stone-Wales相变是CNT断裂的先兆。

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来源
《International Journal of Mechanical Sciences》 |2006年第12期|共7页
作者
J. Song; H. Jiang; D.-L. Shi; X.-Q. Feng; Y. Huang; M.-F. Yu; K.-C. Hwang;
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正文语种 eng
中图分类机械原理;
关键词
Stone-Wales transformation; Bond breakage; Fracture; Carbon nanotube;

机译：石-威尔相变;键断裂;断裂;碳纳米管;

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专利

1. Stone-Wales transformation: Precursor of fracture in carbon nanotubes [J] . J. Song, H. Jiang, D.-L. Shi, International Journal of Mechanical Sciences . 2006,第12期

机译：Stone-Wales转换：碳纳米管断裂的先兆
2. Effect of Hydrogen Adsorption on the Stone-Wales Transformation in Small-Diameter Carbon Nanotubes [J] . Openov L. A., Podlivaev A. I. Physics of the solid state . 2018,第4期

机译：氢吸附对小直径碳纳米管中石威尔士转化的影响
3. Stone-Wales Transformation in Double-Walled Carbon Nanotubes and the Role of Inner Tube [J] . P. Ravinder, V. Subramanian The journal of physical chemistry, C. Nanomaterials and interfaces . 2012,第32期

机译：双壁碳纳米管中的石-威尔士相变及其内管的作用
4. Effect of Position and Orientation of Stone-Wales Defects on the Fracture Behavior of a Zigzag Single-Walled Carbon Nanotube [C] . Keka. Talukdar, Apurba Krishna Mitra NSTI-Nanotech 2010;NSTI nanotechnology conference and expo;Bio Nanotech 2010;NSTI bio nano conference and expo;Microtech 2010;Microtechnology conference and expo;WCM 2010;Workshop on compact modeling;NSTI nanotech ventures;TechConnect summit;Clean technology . 2010

机译：石头-威尔士缺陷的位置和取向对之字形单壁碳纳米管断裂行为的影响
5. Molecular precursor derived silicon boron carbonitride/carbon nanotube and silicon oxycarbide/carbon nanotube composite nanowires for energy based applications. [D] . Bhandavat, Romil. 2013

机译：分子前体衍生的碳氮化硅硼/碳纳米管和碳氧化硅/碳纳米管复合纳米线，用于基于能量的应用。
6. Role of Stone-Wales defects on the interfacial interactions among graphene carbon nanotubes and Nylon 6: A first-principles study [O] . Sanjiv K. Jha, Michael Roth, Guido Todde, -1

机译：Stone-Wales缺陷对石墨烯碳纳米管和尼龙6之间的界面相互作用的作用：第一性原理研究
7. Stone-Wales transformations triggered by intrinsic localized modes in carbon nanotubes [O] . Shimada Takahiro, Shirasaki Daisuke, Kitamura Takayuki 2010

机译：碳纳米管中固有的局部模式触发的Stone-Wales转换
8. Dynamic Pathway for Stone-Wales Bond Rotation on Carbon Nanotube through Diamond-Like Bonds [R] . Wei, C. , Srivastava, D. , Cho, K. , 2003

机译：石墨烯键通过类金刚石键在碳纳米管上旋转的动态途径

Stone-Wales transformation: Precursor of fracture in carbon nanotubes

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