Velocity Distribution function of molecule at low temperature

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Discussion Overview

The discussion centers around the generation of initial velocities in classical molecular dynamics simulations, specifically addressing the limitations of the Maxwell distribution at low temperatures and the potential use of quantum statistical distributions, such as the Fermi-Dirac distribution, for this purpose.

Discussion Character

  • Exploratory, Technical explanation, Debate/contested

Main Points Raised

  • Éric questions the effectiveness of the Maxwell distribution for generating initial velocities at low temperatures and proposes the Fermi-Dirac distribution as a possible alternative.
  • One participant provides a link to a resource that may contain relevant information regarding the topic.
  • Another participant expresses gratitude for the shared link.
  • There is a side discussion about how to close the thread, indicating uncertainty about the process.

Areas of Agreement / Disagreement

The discussion does not reach a consensus on the best method for generating velocities at low temperatures, and multiple viewpoints regarding the use of different statistical distributions remain. Additionally, there is no agreement on the procedure for closing the thread.

Contextual Notes

Participants have not fully explored the implications of using the Fermi-Dirac distribution or other quantum effects in detail, and there may be missing assumptions regarding the applicability of these distributions at low temperatures.

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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