应用数学和力学(英文版)
應用數學和力學(英文版)
응용수학화역학(영문판)
APPLIED MATHEMATICS AND MECHANICS(ENGLISH EDITION)
2014年
5期
535-540
,共6页
徐震%胡国辉%王志亮%周哲玮
徐震%鬍國輝%王誌亮%週哲瑋
서진%호국휘%왕지량%주철위
guided motion%carbon nanotube (CNT)%electric field with linear gradient%potential of mean force (PMF)
The molecular dynamics simulations are performed to show that in aque-ous environments, a short single-walled carbon nanotube (SWCNT) guided by a long SWCNT, either inside or outside the longer tube, is capable of moving along the nanotube axis unidirectionally in an electric field perpendicular to the carbon nanotube (CNT) axis with the linear gradient. The design suggests a new way of molecule transportation or mass delivery. To reveal the mechanism behind this phenomenon, the free energy profiles of the system are calculated by the method of the potential of mean force (PMF).