Microcanonical Ensemble Unit 8
Microcanonical Ensemble Unit 8
Microcanonical Ensemble Unit 8
N
E H ( p, q ) E
Information entropy*
Introduced by Shannon. See textbook and E.T. Jaynes, Phys. Rev. 106, 620 (1957)
x1 , x2 , ..., xn
p1 , p2 , ..., pn
n
p
i 1
and we know the average of the function f(x) ( we will also consider cases
f ( x ) pi f ( xi )
i 1
p
i 1
1 and f ( x ) pi f ( xi )
i 1
i 1
Si k n ln n
n
or
Si k dpdq ( p, q )ln ( p, q )
with normalization
n
dpdq ( p, q) 1
Si k n ln n k ln ln 0 ... 0
utcome 1 has the probability 1=1/2
2 2 2 2
n
utcome 2 has the probability 2=1/2
1
1
utcome 3,4, ,N have
n=0
k ln 2 ln 2 k ln 2
2
2
ets consider the more general case:
utcome 1 has the probability 1=1/M
utcome 2 has the probability 2=1/M Si k n ln n
1
1
1
1
1
1
ln
ln
... ln
... 0
M M
M M M M
k ln M
k
Si k 1ln 1 2ln 2
1 2 1
with
Si k 1ln1 1 1 ln 1 1
dSi
1
1
k ln 1 1 ln 1 1 1 1
k
ln
d i
1
1 1
1
0.7
0.6
maximum
1
1
1 1
0.4
Si
dSi
k ln 1 0
d i
1 1
0.5
1 1/ 2 2
uniform distribution
0.3
0.2
0.1
0.0
0.0
0.2
0.4
0.6
0.8
1.0
with
1 2 1
constraint
F ( 1 , 2 , ) k 1ln1 2ln 2 1 2 1
F
k ln 1 1 0
1
F
k ln 2 1 0
2
F
1 2 1 0
From
http://en.wikipedia.org/wiki/File:LagrangeMultiplier
1 2
1 2 1
1 1/ 2 2
uniform distribution
Si k n ln n
n 1
1
n
n 1
F ( 1 , 2 ,..., M , ) k n ln n
n 1
F
k ln j 1 0
j
with
n 1
Si
max
1 2 ... M e 1 / k
1 2 ... M
1
M
uniform distribution
maximizes entropy
k ln M
const.
( p, q )
1
Z (E)
if E H ( p, q ) E
0 otherwise
S k B n ln n
n
S 1 2 S 1 S 2
S1
S2
n,m
n m
(1)
(2)
S k B n ln n
n
1
1
1
k
lnZ
(
E
)
k B
ln
Z (E)
n Z (E)
n Z (E)
1
S k B lnZ ( E )
E ( S ,V ) U ( S ,V )
with
dU TdS PdV
1 S
T U V
and
P S
T V U
Lets derive the ideal gas equation of state from the microcanonical ensemble
despite the fact that there are easier ways to do so
Z (U )
U+
1
3N
3N
d
p
d
q
3N
N !h U H ( p,q )U
1
Z (U )
N !h3 N
U
pi2
2m
i 1
N
V
d 3N p d 3N q
N ! h3 N
U
pi2
2 m U
i 1
pi2
2m
d 3 p1 d 3 p2 ...d 3 pN
pi2
i 1
3N dim. sphere
in momentum space
2 mU
VN
Z (U )
N !h3 N
U
d p1 d p2 ...d p N
pi2
2 m U
2 m (U )
2mU
V N C3 N
N !h3 N
2m(U )
3N / 2
2mU
3N / 2
i 1
V3 N ( pU 2m(U )) V3 N ( pU 2mU )
Remember:
4
V3dim S3dim dr 4 r 2 dr r 3
3
...
V3 N dim S3 N dim dr r 3 N 1dr C3 N r 3 N
V U
3N / 2
U
1
S k B lnZ (U )
const
3N / 2
3
U
k B N ln V N ln U ln 1
2
U
ln const
3N / 2
N
V
U
lim a n 0
n
N
const
V
3
S k B N ln V N ln U
for 0 a 1
ln1=0
U
ln 1
3N / 2
http://en.wikipedia.org/wiki/Exponen
tiation
ln const
S k B N ln V N ln U ln const
2
with
1 S
T U V
P S
T V U
PV Nk BT
3
Nk BT
2