Andy Shelley wrote:
Hello,
I am trying to model heat flux across a carbon nanotube and was planning
on using the annealing function to set and hold a temperature difference
across the tube to create a heat flux. I was wondering if anyone had
some thoughts on short comings with this idea or a better way to model
the heat flux.
Thanks,
Andy
One way could be to implement a space dependent thermostat like here:
@Article{ Vatamanu2007a,
author = "J. Vatamanu and P. G. Kusalik",
title = "Molecular dynamics methodology to investigate
steady-state heterogeneous crystal growth",
journal = "J. Chem. Phys.",
volume = 126,
year = 2007,
pages = 124703
}
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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