Velocity Distribution function of molecule at low temperature

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SUMMARY

The discussion centers on generating initial velocities for classical molecular dynamics simulations at low temperatures, where the Maxwell distribution becomes ineffective. Éric inquires about alternative methods, specifically the potential use of the Fermi-Dirac distribution to account for quantum effects. Participants suggest that the Fermi-Dirac distribution may provide a suitable solution, referencing a resource that discusses semiconductor statistics in detail.

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  • Understanding of classical molecular dynamics simulation
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  • Basic concepts of the Fermi-Dirac distribution
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  • Research the application of the Fermi-Dirac distribution in molecular dynamics simulations
  • Explore quantum effects in low-temperature physics
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Researchers and practitioners in computational physics, particularly those focused on molecular dynamics simulations at low temperatures, as well as anyone interested in the intersection of classical and quantum statistical mechanics.

aihaike
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Dear all,

In classical molecular dynamics simulation initial velocities are generated using the so called Maxwell distribution.
At low temperature it's no longer effective, so I'm wandering whether there is a similar way to generate velocities at low temperature taking into account quantum effects, like using the Fermi-dirac distribution ?

Thank you,

Éric.
 
Physics news on Phys.org
http://www.ecse.rpi.edu/~schubert/Course-ECSE-6968%20Quantum%20mechanics/Ch13%20Semiconductor%20statistics.pdf

^I think you may find the answer you're looking for on page 11. Hope it helps!
 
Last edited by a moderator:
interesting link, thank you.

How to close the thread?
 
Last edited:
Not sure, I think mods do that. In any case, eventually, people will stop answering once a question has been answered, so it falls off the page pretty quickly.
 

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