Tuesday, 17 March 2015

statistical mechanics - Calculating temperature from molecular dynamics simulation


My understanding is that temperature is an inherently macroscopic quantity, but I've seen a number of people talk about calculating the temperature of ideal-gas simulations like this one. To take one example, in the final simulation here the author, a physicist, mentions calculating the pressure and temperature of the particles in his simulation.


Is it possible to define temperature for such a system, and to calculate it within a simulation? And how would one go about doing this?


Thanks




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