A directed polymer consists of atoms i = 0 , 1 , 2 , β¦ , N i = 0, 1, 2, \dots, N i = 0 , 1 , 2 , β¦ , N at positions ( x i , y i ) β Z 2 (x_i, y_i) \in \mathbb{Z}^2 ( x i β , y i β ) β Z 2 of a square lattice. The atom at the origin is fixed at the position x 0 = y 0 = 0 x_0 = y_0 = 0 x 0 β = y 0 β = 0 and the other atoms are chained together such that:
x i β x i β 1 = 1 x_i - x_{i-1} = 1 x i β β x i β 1 β = 1
β£ y i β y i β 1 β£ = 1 |y_i - y_{i-1}| = 1 β£ y i β β y i β 1 β β£ = 1
This polymer is hence oriented in the x x x -direction and does not self-intersect.
Intuition & Setup# Using these properties, we can graph points on Z 2 \mathbb{Z}^2 Z 2 . The polymer is the curve formed by connecting these points.
Origin : O = ( 0 , 0 ) O = (0, 0) O = ( 0 , 0 ) .
X-movement : Each subsequent atom is exactly one unit to the right (x i β x i β 1 = 1 x_i - x_{i-1} = 1 x i β β x i β 1 β = 1 ).
Y-movement : Each step must be either one unit up or one unit down (y i β y i β 1 = Β± 1 y_i - y_{i-1} = \pm 1 y i β β y i β 1 β = Β± 1 ).
NOTE [Diagram Placeholder: All possible paths till n = 3 n=3 n = 3 ]
For each step in the x-direction, the polymer branches into two possible y-directions (up or down).
For a polymer of length N N N , we have:
( 2 Β choicesΒ afterΒ origin ) Γ ( 2 Β choicesΒ afterΒ nodeΒ 1 ) Γ β― = 2 N Β totalΒ choices (2 \text{ choices after origin}) \times (2 \text{ choices after node 1}) \times \dots = 2^N \text{ total choices} ( 2 Β choicesΒ afterΒ origin ) Γ ( 2 Β choicesΒ afterΒ nodeΒ 1 ) Γ β― = 2 N Β totalΒ choices
Problem (a): Total Number of Microstates# Determine the total number of microstates of the polymer.
Solution# We can think about a particle on every node. The first particle is fixed at the origin. Every subsequent particle has 2 choices (up or down) relative to the previous one.
Particle 1 (Origin) 2 3 β¦ N+1 Choices 1 2 2 β¦ 2 Node (x) 0 1 2 β¦ N
The total number of microstates W \mathcal{W} W is:
W = 1 β Fixed Γ 2 Γ 2 Γ β― Γ 2 β N = 2 N \mathcal{W} = \underbrace{1}_{\text{Fixed}} \times \underbrace{2 \times 2 \times \dots \times 2}_{N} = 2^N W = Fixed 1 β β Γ N 2 Γ 2 Γ β― Γ 2 β β = 2 N
Problem (b): Microstates with Specific Deflection# Determine the total number of microstates W ( y ) \mathcal{W}(y) W ( y ) having the property y N = y y_N = y y N β = y .
Solution# Let Ο i = y i β y i β 1 β { + 1 , β 1 } \sigma_i = y_i - y_{i-1} \in \{+1, -1\} Ο i β = y i β β y i β 1 β β { + 1 , β 1 } be the βsignβ of each step. Let n + n_+ n + β be the number of steps up and n β n_- n β β be the number of steps down.
The total deflection is:
y N = β i = 1 N Ο i = n + β n β = y y_N = \sum_{i=1}^N \sigma_i = n_+ - n_- = y y N β = β i = 1 N β Ο i β = n + β β n β β = y
We also know the total number of steps is N N N :
n + + n β = N β
β βΉ β
β n β = N β n + n_+ + n_- = N \implies n_- = N - n_+ n + β + n β β = N βΉ n β β = N β n + β
Substituting this into the deflection equation:
y = n + β ( N β n + ) = 2 n + β N y = n_+ - (N - n_+) = 2n_+ - N y = n + β β ( N β n + β ) = 2 n + β β N
β
β βΉ β
β n + = y + N 2 \implies n_+ = \frac{y + N}{2} βΉ n + β = 2 y + N β
The number of ways to choose n + n_+ n + β βupβ steps out of N N N total steps is given by the binomial coefficient:
W ( y ) = ( N n + ) = ( N y + N 2 ) \mathcal{W}(y) = \binom{N}{n_+} = \binom{N}{\frac{y+N}{2}} W ( y ) = ( n + β N β ) = ( 2 y + N β N β )
The probability of finding such a state is P ( y ) = W ( y ) W = 1 2 N ( N n + ) P(y) = \frac{\mathcal{W}(y)}{\mathcal{W}} = \frac{1}{2^N} \binom{N}{n_+} P ( y ) = W W ( y ) β = 2 N 1 β ( n + β N β ) .
Problem (c): Typical Deflection# Calculate the typical deflection of the chain end, β¨ y N 2 β© \langle y_N^2 \rangle β¨ y N 2 β β© .
Solution: The Partition Function Trick# We define a βpartition functionβ Z ( Ξ² ) Z(\beta) Z ( Ξ² ) for the ensemble:
Z ( Ξ² ) = β y e Ξ² y W ( y ) Z(\beta) = \sum_y e^{\beta y} \mathcal{W}(y) Z ( Ξ² ) = β y β e Ξ² y W ( y )
Note that at Ξ² = 0 \beta = 0 Ξ² = 0 :
Z ( 0 ) = β y W ( y ) = 2 N Z(0) = \sum_y \mathcal{W}(y) = 2^N Z ( 0 ) = β y β W ( y ) = 2 N
The typical deflection can be expressed using derivatives of Z ( Ξ² ) Z(\beta) Z ( Ξ² ) :
β¨ y N 2 β© = β y y 2 W ( y ) β y W ( y ) = 1 Z ( 0 ) β 2 Z β Ξ² 2 β£ Ξ² = 0 \langle y_N^2 \rangle = \frac{\sum_y y^2 \mathcal{W}(y)}{\sum_y \mathcal{W}(y)} = \left. \frac{1}{Z(0)} \frac{\partial^2 Z}{\partial \beta^2} \right|_{\beta=0} β¨ y N 2 β β© = β y β W ( y ) β y β y 2 W ( y ) β = Z ( 0 ) 1 β β Ξ² 2 β 2 Z β β Ξ² = 0 β
Calculating Z ( Ξ² ) Z(\beta) Z ( Ξ² ) # Substituting our expression for y = 2 n + β N y = 2n_+ - N y = 2 n + β β N :
Z ( Ξ² ) = β n + = 0 N e Ξ² ( 2 n + β N ) ( N n + ) = β n + = 0 N ( e Ξ² ) n + ( e β Ξ² ) N β n + ( N n + ) Z(\beta) = \sum_{n_+=0}^N e^{\beta(2n_+ - N)} \binom{N}{n_+} = \sum_{n_+=0}^N (e^\beta)^{n_+} (e^{-\beta})^{N-n_+} \binom{N}{n_+} Z ( Ξ² ) = β n + β = 0 N β e Ξ² ( 2 n + β β N ) ( n + β N β ) = β n + β = 0 N β ( e Ξ² ) n + β ( e β Ξ² ) N β n + β ( n + β N β )
Using the binomial identity ( a + b ) N = β ( N k ) a k b N β k (a+b)^N = \sum \binom{N}{k} a^k b^{N-k} ( a + b ) N = β ( k N β ) a k b N β k with a = e Ξ² a=e^\beta a = e Ξ² and b = e β Ξ² b=e^{-\beta} b = e β Ξ² :
Z ( Ξ² ) = ( e Ξ² + e β Ξ² ) N = ( 2 cosh β‘ Ξ² ) N = 2 N cosh β‘ N Ξ² Z(\beta) = (e^\beta + e^{-\beta})^N = (2 \cosh \beta)^N = 2^N \cosh^N \beta Z ( Ξ² ) = ( e Ξ² + e β Ξ² ) N = ( 2 cosh Ξ² ) N = 2 N cosh N Ξ²
Finding the Deflection# First derivative:
Z β² ( Ξ² ) = 2 N β
N cosh β‘ N β 1 Ξ² β
sinh β‘ Ξ² Z'(\beta) = 2^N \cdot N \cosh^{N-1} \beta \cdot \sinh \beta Z β² ( Ξ² ) = 2 N β
N cosh N β 1 Ξ² β
sinh Ξ²
Second derivative:
Z β² β² ( Ξ² ) = 2 N N [ ( N β 1 ) cosh β‘ N β 2 Ξ² sinh β‘ 2 Ξ² + cosh β‘ N β 1 Ξ² cosh β‘ Ξ² ] Z''(\beta) = 2^N N \left[ (N-1) \cosh^{N-2} \beta \sinh^2 \beta + \cosh^{N-1} \beta \cosh \beta \right] Z β²β² ( Ξ² ) = 2 N N [ ( N β 1 ) cosh N β 2 Ξ² sinh 2 Ξ² + cosh N β 1 Ξ² cosh Ξ² ]
Z β² β² ( 0 ) = 2 N N [ ( N β 1 ) ( 1 ) ( 0 ) + ( 1 ) ( 1 ) ] = 2 N β
N Z''(0) = 2^N N [ (N-1)(1)(0) + (1)(1) ] = 2^N \cdot N Z β²β² ( 0 ) = 2 N N [( N β 1 ) ( 1 ) ( 0 ) + ( 1 ) ( 1 )] = 2 N β
N
Finally:
β¨ y N 2 β© = Z β² β² ( 0 ) Z ( 0 ) = 2 N β
N 2 N = N \langle y_N^2 \rangle = \frac{Z''(0)}{Z(0)} = \frac{2^N \cdot N}{2^N} = N β¨ y N 2 β β© = Z ( 0 ) Z β²β² ( 0 ) β = 2 N 2 N β
N β = N
This result makes physical sense: for a random walk of N N N steps where each step is Β± 1 \pm 1 Β± 1 , the variance (typical deflection squared) scales linearly with the number of steps N N N .
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