...Eugeniya K. Iskrenova; Soumya S. Patnaik molecular dynamics heat transfer flexible water models adaptive force matching TIP3P MP2f self-diffusion thermal conductivity diffusion coefficient Nucleate pool boiling is a very efficient and widely used cooling method with a wide...

... Waals forces between the polyethylene chains and the carbon nanotube in matrices are investigated to provide physical interpretations on the findings. PE–CNT matrices buckling behavior van der Waals forces vibrational analysis molecular dynamics CNTs have been extensively known to have...

...Behrouz Arash; Quan Wang; Vijay K. Varadan The potential of single-walled carbon nanotubes as nanosensors in detection of noble gases via a vibration analysis is investigated using molecular dynamics simulations. An index based on frequency shifts of the nanotubes in an environment of noble gas...

... buckling behavior of carbon nanotubes can be analyzed in a unified approach. The buckling solutions from the hybrid model are verified from molecular dynamics simulations via the MATERIALS STUDIO software package and from available research findings. The existence of the optimum diameter, at which...