催化学报
催化學報
최화학보
CHINESE JOURNAL OF CATALYSIS
2008年
11期
1113-1116
,共4页
朱训鹏%翁盟雄%林振森%卢建铭%张自恭%吴文贤
硃訓鵬%翁盟雄%林振森%盧建銘%張自恭%吳文賢
주훈붕%옹맹웅%림진삼%로건명%장자공%오문현
分子动力学%纳米碳管%水%拉伸负载%机械性质%纳米限制
分子動力學%納米碳管%水%拉伸負載%機械性質%納米限製
분자동역학%납미탄관%수%랍신부재%궤계성질%납미한제
molecular dynamics simulation%carbon nanotube%water%tensile loading%mechanical behavior%nano-confinement
利用分子动力学方法研究了(5,5)扶手椅型和(10,10)锯齿型纳米碳管在水中受拉伸负载下的机械性质. 通过计算纳米碳管中氧和氢原子的局部密度分布研究了限制效应. 结果表明,碳管在水中的杨式系数与在真空下相同,而碳管在水中的拉伸应力小于在真空中的.
利用分子動力學方法研究瞭(5,5)扶手椅型和(10,10)鋸齒型納米碳管在水中受拉伸負載下的機械性質. 通過計算納米碳管中氧和氫原子的跼部密度分佈研究瞭限製效應. 結果錶明,碳管在水中的楊式繫數與在真空下相同,而碳管在水中的拉伸應力小于在真空中的.
이용분자동역학방법연구료(5,5)부수의형화(10,10)거치형납미탄관재수중수랍신부재하적궤계성질. 통과계산납미탄관중양화경원자적국부밀도분포연구료한제효응. 결과표명,탄관재수중적양식계수여재진공하상동,이탄관재수중적랍신응력소우재진공중적.
Molecular dynamics simulation was carried out to investigate the behavior of (5,5) and (10,10) armchair carbon nanotubes in water under tensile loading. The water molecules inside a nanoscale tube, unlike inside a bulk tube, have a confined effect. The local density distributions of oxygen and hydrogen atoms inside the carbon nanotubes were calculated to find the confinement effect. Moreover, the mechanical behavior of carbon nanotubes in water was studied under tensile loading. The results show that the Young's modulus of nanotubes in water remains the same as that in vacuum. However, the tensile stress of nanotube in water is less than that in vacuum.
