Closed ufsowa closed 7 years ago
dN - number of atoms which cross surface (force)
W - work done by site, if want to cross this surface W = dN(+1)/time if jump from left side W = dN(-1)/time if jump from right side
p = exp(W/kT)
This p favourite jumps with W > 0 .
Actually scale factor is used - OK. Time scale is used, which is also - OK.
Normalisation is not good. n` = dN/(sum(dN))
time in W make W > 0 smaller. I mean, time decrease W. W -> 0, then p -> 1 No difference between left and right.
Which is OK, when dN remains constant. But it influence also case with dN for large dN by making this criteria weaker.
But in general, it works. So, lets keep criteria how it is.
dN - number of atoms which cross surface (force)
W - work done by site, if want to cross this surface W = dN(+1)/time if jump from left side W = dN(-1)/time if jump from right side
p = exp(W/kT)
This p favourite jumps with W > 0 .
Actually scale factor is used - OK. Time scale is used, which is also - OK.
Normalisation is not good. n` = dN/(sum(dN))
time in W make W > 0 smaller. I mean, time decrease W. W -> 0, then p -> 1 No difference between left and right.
Which is OK, when dN remains constant. But it influence also case with dN for large dN by making this criteria weaker.
But in general, it works. So, lets keep criteria how it is.