Paper Citing NAMD - Abstract
Gorny, Krzysztof; Dendzik, Zbigniew; Sawicki, Bogdan; Dawid, Aleksander; Gburski, Zygmunt
Thermal activation of ethylene glycol embedded in carbon nanotubes - Computer simulation study
SOLID STATE COMMUNICATIONS, 177:117-122, JAN 2014
We performed all atoms molecular dynamics simulations of ethylene glycol embedded inside single walled (17,0) and (10,10) carbon nanotubes, as well as bulk ethylene glycol, to study the influence of the spatial constraints and interaction between the embedded molecules and internal surface of the nanotubes on thermal activation of the system and deviation from purely Debye relaxation characteristic observed in bulk ethylene glycol liquid. (C) 2013 Elsevier Ltd. All rights reserved.
