exercises:2017_ethz_mmm:mc_and_kmc
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exercises:2017_ethz_mmm:mc_and_kmc [2017/03/09 10:52] – dpasserone | exercises:2017_ethz_mmm:mc_and_kmc [2017/03/10 16:21] – dpasserone | ||
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<note tip> | <note tip> | ||
- | All files of this exercise be downloaded from the wiki: {{e3_bis.zip|}} | + | All files of this exercise |
Download the exercise into your $HOME folder and unzip it. | Download the exercise into your $HOME folder and unzip it. | ||
< | < | ||
- | you@eulerX ~$ wget http:// | + | you@eulerX ~$ wget http:// |
- | you@eulerX ~$ unzip exercises: | + | you@eulerX ~$ unzip exercises: |
you@eulerX ~$ cd exercise_3 | you@eulerX ~$ cd exercise_3 | ||
</ | </ | ||
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[ [[http:// | [ [[http:// | ||
- | IMAGE | + | {{: |
<note tip> | <note tip> | ||
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(blue dots) are allowed to move by random discrete steps | (blue dots) are allowed to move by random discrete steps | ||
- | IMAGE LATTICE | + | {{: |
While in execution, the code will show you snapshots of the positions of the molecules on the lattice | While in execution, the code will show you snapshots of the positions of the molecules on the lattice | ||
on the left panel. | on the left panel. | ||
+ | |||
+ | {{: | ||
+ | |||
In the central panel average values for the number of isolated molecules, the number of dimers and the number of clusters | In the central panel average values for the number of isolated molecules, the number of dimers and the number of clusters | ||
is plotted. | is plotted. | ||
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where k is Boltzmann' | where k is Boltzmann' | ||
T is the simulation (and experiment) temperature | T is the simulation (and experiment) temperature | ||
- | n0 is teh concentration of dimers in the case of zero interaction | + | n0 is the concentration of dimers in the case of zero interaction |
nexp is the concentration of dimers found in the experiment | nexp is the concentration of dimers found in the experiment | ||
+ | to compute n0 use the average number of isolated molecules and of isolated diners that you have as output | ||
</ | </ | ||
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< | < | ||
- | #### MAIN MC LOOP | + | clusters_plot=[] |
+ | for i in range(nouter): | ||
and also the section | and also the section | ||
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<note warning> | <note warning> | ||
The code, at each step, moves a particle chosen randomly to a new site chosen randomly. | The code, at each step, moves a particle chosen randomly to a new site chosen randomly. | ||
- | Woudl it be correct to move all particles in a step? | + | **Would |
- | what would change? | + | what would change?** |
</ | </ | ||
exercises/2017_ethz_mmm/mc_and_kmc.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1