CAJ | 학술논문

基于 Tersoff 势，采用分子动力学方法研究了外加电场下碳纳米管的稳定性，并对不同半径及手性的碳纳米管进行了对比分析。结果表明：随着直径的增加，当作用于碳纳米管上的电场力表现为拉伸作用时，碳纳米管拉伸断裂的临界电场强度也随之增大，而当作用于碳纳米管上的电场力表现为压缩作用时，屈曲临界电场强度随着直径的增加而不断减小，但两种情况在直径2.0 nm 以后都达到一个稳定的值。
기우 Tersoff 세，채용분자동역학방법연구료외가전장하탄납미관적은정성，병대불동반경급수성적탄납미관진행료대비분석。결과표명：수착직경적증가，당작용우탄납미관상적전장력표현위랍신작용시，탄납미관랍신단렬적림계전장강도야수지증대，이당작용우탄납미관상적전장력표현위압축작용시，굴곡림계전장강도수착직경적증가이불단감소，단량충정황재직경2.0 nm 이후도체도일개은정적치。
The molecular dynamics method with the Tersoff potential was used to study the stability of carbon nanotubes with different radius and chirality under an external electric filed. The simulated results show that, as the diameter of the single walled carbon nanotube increases, a stronger applied electric field is required for tensile failure but a weaker applied electric field is required for compression buckling. Both of them approach to constants when the tube diameter is over 2.0 nm.