MD simulations of methane confined between graphite walls with up to 4,800,000 interaction sites, i.e., carbon atoms and methane molecules, are conducted, where the channel width is varied to include both the boundary-dominated regime and the transition to the continuum regime. This proves that MD can be used today to cover the entire range of characteristic lengths for which continuum methods fail.
@article{arxiv.0911.5481,
title = {Poiseuille flow of liquid methane in nanoscopic graphite channels by molecular dynamics simulation},
author = {Martin Horsch and Jadran Vrabec and Martin Bernreuther and Hans Hasse},
journal= {arXiv preprint arXiv:0911.5481},
year = {2009}
}
Comments
In Hanjali{\v{c}} et al. (2009), Proceedings of the International Symposium Turbulence, Heat and Mass Transfer 6. Begell House, New York (ISBN 978-1-56700-262-1)