I want to run long term temperature cycles e.g. 30 years day and night temp variation cycles, in molecular dynamics. How can I do it? If someone can refer research articles in this regard, it would be really helpful
molecular dynamics is performed with femtosecond (10^-15 ps) timesteps. It therefore takes a long time to do even as little as 1 microsecond. There is no way you can simulate 30 years with it. You should use other approximations, that enable much longer timesteps
MD simulations cannot be done for such a long time scale. If you implement several crude approximations you will not be able to get any useful data(provided you are able to perform it in the first place).
Perhaps you may be interested in determining the most likely thermodynamic equilbrium rather than dynamic behaviour.
E.g. diamond + millions of years = graphite.
30 years sounds not that big now. The cement particle will evolve through different states giving rise to more and more stable thermodynamic equilibria.
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