Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...
Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...
Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...
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<strong>Molecular</strong> <strong>Dynamics</strong> <strong>Chapter</strong> <strong>2.</strong>1<br />
Basic Thermodynamics – Statistical Mechanics<br />
1 / =<br />
(<br />
dS<br />
dE<br />
)<br />
T<br />
N , V<br />
NkT<br />
= ∑<br />
2<br />
m i<br />
v i<br />
For a large subset of a huge system, <strong>in</strong> the equilibrium state,<br />
Total E= E 1 +E 2 under mean field condition<br />
s<br />
= k ln<br />
Ω<br />
⎛ ∂k<br />
ln Ω(<br />
E , E − E<br />
⎜<br />
⎝ ∂E1<br />
) ⎞<br />
⎟<br />
⎠<br />
1 1<br />
=<br />
N , V , E<br />
0<br />
⎛ ∂k<br />
ln Ω(<br />
E1 , V , N)<br />
⎜<br />
⎝ ∂E1<br />
⎞<br />
⎟<br />
⎠<br />
N , V , E<br />
= β<br />
β = 1/(<br />
kT )
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