Isothermal crystallization of a single polyethylene chain induced by graphene: A molecular dynamics simulation
โ Scribed by Li-zhi Wang; Li-li Duan
- Book ID
- 119221159
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 888 KB
- Volume
- 1002
- Category
- Article
- ISSN
- 2210-271X
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The tensile mechanical properties of zigzag and armchair single graphene sheets were investigated by molecular dynamics simulation using the Tersoff bond-order interatomic potential.
Molecular dynamics simulation has been used in exploring the crystal nucleation behaviour of a single chain touching a substrate surface. It shows that a polyethylene chain (980 CH,) changed its overall shape from an isotropic coil to an oriented one in the case of touching a substrate surface of am
This article describes the collisional dynamics (CD) method adapted for molecules with geometrical constraints within a description using Cartesian coordinates for the atoms. In the CD method, stochastic collisions with virtual particles are included in usual molecular dynamics simulations to couple