Adhesion energy of single-wall carbon nanotube-polyethylene composite: Effect of magnetic field

被引:5
|
作者
Al-Haik, MS [1 ]
Hussaini, MY
机构
[1] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA
[2] Florida State Univ, Sch Computat Sci, Tallahassee, FL 32306 USA
关键词
molecular dynamics; chirality; velocity-verlet; OPLSAA force field; magnetic field;
D O I
10.1166/jctn.2006.3004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In this paper, we investigate the adhesion energy at the interface between single-wall carbon nanotubes (SWCNT) and polyethylene matrix with and without an external magnetic field. The carbon nanotubes are of two different chiralities-armchair (10, 10), and zigzag (10, 0), and the external high magnetic field is of 25 Tesla intensity. The study employs molecular dynamics simulations and concludes that the magnetic field decreases the interfacial adhesion energy although it increases the individual potential energies of the nanotubes, polyethylene, and composite.
引用
收藏
页码:243 / 248
页数:6
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