Journal
CHINESE PHYSICS LETTERS
Volume 27, Issue 8, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0256-307X/27/8/084702
Keywords
-
Categories
Funding
- National Natural Science Foundation of China [10604060, 10674146, 10825520]
- National Basic Research Program of China [2007CB36000]
- Shanghai Supercomputer Center of China
Ask authors/readers for more resources
Molecule dynamics simulation is now widely used in the study of nano pores, proteins and nano-scale devices. The limited friction in such a system requires the method of center-of-mass motion removal to be applied. We test the effect of different time period.. of this method under osmotic pressure difference, and find that the impact on the net flux is very small together with the effective reduction of the accumulated numerical error when the period.. is above 0.1 ps. The simulation results also show that the change of this time period of method has very little effect on the potential of mean force of the water inside the carbon nanotubes.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available