... composed of functional groups, such as C=C, C=O, C=O⁺, C–N, and C–N⁺. The surface contact angle of 304SS increases from 73.3° to 92.6°, significantly enhancing its hydrophobicity. Density functional theory and molecular dynamics simulations were employed to elucidate the detailed...

...Wendi Gong; Houbo Yang; Danhui Zhang; Ruquan Liang; Jianhui Shi; Anmin Liu In this study, the self-crimping process of multichain polystyrene into a carbon nanotube was investigated by molecular dynamics simulation. The simulation shows that multichain polystyrene arranged in parallel can self...