含空位缺陷的碳纳米锥拉伸力学特性探究.pdfVIP

·机械制造 · 朱华诞,等 ·含空位缺陷的碳纳米锥拉伸力学特性研究 含空位缺陷的碳纳米锥拉伸力学特性研究 朱华诞,李明林 (福州大学 机械工程及其自动化学院,福建 福州350116) 摘　 要:结合AIREBO势能函数,采用分子动力学方法,对含空位缺陷的碳纳米锥作了拉伸模 - 拟试验,获得了其拉伸过程中的构型演变以及载荷 应变关系曲线、载荷极限和应变极限等力 学特性。 结果表明,当缺陷中心与锥顶的距离小到某一临界值时,与无缺陷时相比,载荷极限 和应变极限都明显减少,然而缺陷中心与锥顶的距离进一步减少时,载荷极限和应变极限却下 降很少;如果缺陷中心与锥顶的距离维持在临界值并且缺陷的数目增加,载荷极限和应变极限 的变化也很小;缺陷的长度增加时,载荷极限和应变极限都有所下降,但不如缺陷中心到锥顶 间距离变化对载荷极限和应变极限的影响大。 关键词:碳纳米锥;空位缺陷;分子动力学模拟;拉伸力学特性 中图分类号:TP391.9　 　 文献标志码:B　 　 文章编号:1671-5276(2016)04-0033-04 Tensile Response of Carbon Nanoconewith Vacancy Defects ZHU Huadan,LI Minglin (College of Mechanical Engineering and Automation,Fuzhou University,Fuzhou350116,China) Abstract:Combined withAIREBO potential,thetensiletests of nanocone withvacancy defects are given using the molecular dy- namics method.The configuration evolution and mechanical properties,including the relationship curves between load and strain, load limit and strainlimit intheprocessofdrawingareobtained.The resultsareasfollows:Whenthedistancebetweenthecenterof the defect andtheapex of the nanocone is reducedto acriticalvalue,the load limit andstrain limit decreaseobviously. However,if the distance isfurtherreduced,the load limit andstrain limit decrease little;If thedistance is maintained at thecriticalvalueandthe numberof the defects increase,the load limit and strain limit also change little;Whenthe lengthof the defect increase,both limits decrease ina certain range. However,the influence of the length is less thanthat of the distance betweenthe centerof defect and the apex of nanoco