How to efficiently cool down simulated gas by time-dependent potential?
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Hey mate ^_^
The temperature of the wall can be whatever you chose (you know the resulting Maxwell-Boltzmann distribution) and the heat capacity would be infinite, as with all thermodynamic reservoirs.....
The temperature of the wall has initially nothing to do with the temperature of your gas, but eventually the gas will be in equilibrium.....
#Be Brainly❤️
The temperature of the wall can be whatever you chose (you know the resulting Maxwell-Boltzmann distribution) and the heat capacity would be infinite, as with all thermodynamic reservoirs.....
The temperature of the wall has initially nothing to do with the temperature of your gas, but eventually the gas will be in equilibrium.....
#Be Brainly❤️
Answered by
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Hello mate here is your answer.
You could try this pseudo-hard sphere potential:
Φ(r)=50⋅(5049)50ϵ[(σr)50−(σr)49]+ϵ if r<5049σΦ(r)=50⋅(5049)50ϵ[(σr)50−(σr)49]+ϵ if r<5049σ
Φ(r)=0 if r≥5049σΦ(r)=0 if r≥5049σ
The idea is basically to take a much steeper version of the usual WAC potential. I never tried it myself, but, quoting from the cited web page:
Molecular dynamics simulations of this idealised model, when performed at a reduced temperature of T∗=1.5T∗=1.5reproduces results for the hard sphere model (for example, the Carnahan-Starling equation of state), which is generally only amenable to Monte Carlo simulations, or advanced techniques such as Event-driven molecular dynamics.
Hope it helps you.
You could try this pseudo-hard sphere potential:
Φ(r)=50⋅(5049)50ϵ[(σr)50−(σr)49]+ϵ if r<5049σΦ(r)=50⋅(5049)50ϵ[(σr)50−(σr)49]+ϵ if r<5049σ
Φ(r)=0 if r≥5049σΦ(r)=0 if r≥5049σ
The idea is basically to take a much steeper version of the usual WAC potential. I never tried it myself, but, quoting from the cited web page:
Molecular dynamics simulations of this idealised model, when performed at a reduced temperature of T∗=1.5T∗=1.5reproduces results for the hard sphere model (for example, the Carnahan-Starling equation of state), which is generally only amenable to Monte Carlo simulations, or advanced techniques such as Event-driven molecular dynamics.
Hope it helps you.
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