A directed polymer consists of atoms i = 0 , 1 , 2 , … , N i = 0, 1, 2, \dots, N i = 0 , 1 , 2 , … , N at positions ( x i , y i ) ∈ Z 2 (x_i, y_i) \in \mathbb{Z}^2 ( x i , y i ) ∈ 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 = y 0 = 0 and the other atoms are chained together such that:
x i − x i − 1 = 1 x_i - x_{i-1} = 1 x i − x i − 1 = 1
∣ y i − y i − 1 ∣ = 1 |y_i - y_{i-1}| = 1 ∣ y i − y i − 1 ∣ = 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 − x i − 1 = 1 x_i - x_{i-1} = 1 x i − x i − 1 = 1 ).
Y-movement : Each step must be either one unit up or one unit down (y i − y i − 1 = ± 1 y_i - y_{i-1} = \pm 1 y i − y i − 1 = ± 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 choices after origin ) × ( 2 choices after node 1 ) × ⋯ = 2 N total choices (2 \text{ choices after origin}) \times (2 \text{ choices after node 1}) \times \dots = 2^N \text{ total choices} ( 2 choices after origin ) × ( 2 choices after node 1 ) × ⋯ = 2 N total 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 … N+1 Choices 1 2 2 … 2 Node (x) 0 1 2 … N
The total number of microstates W \mathcal{W} W is:
W = 1 ⏟ Fixed × 2 × 2 × ⋯ × 2 ⏟ N = 2 N \mathcal{W} = \underbrace{1}_{\text{Fixed}} \times \underbrace{2 \times 2 \times \dots \times 2}_{N} = 2^N W = Fixed 1 × N 2 × 2 × ⋯ × 2 = 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 = y .
Solution# Let σ i = y i − y i − 1 ∈ { + 1 , − 1 } \sigma_i = y_i - y_{i-1} \in \{+1, -1\} σ i = y i − y i − 1 ∈ { + 1 , − 1 } be the “sign” of each step. Let n + n_+ n + be the number of steps up and n − n_- n − be the number of steps down.
The total deflection is:
y N = ∑ i = 1 N σ i = n + − n − = y y_N = \sum_{i=1}^N \sigma_i = n_+ - n_- = y y N = ∑ i = 1 N σ i = n + − n − = y
We also know the total number of steps is N N N :
n + + n − = N ⟹ n − = N − n + n_+ + n_- = N \implies n_- = N - n_+ n + + n − = N ⟹ n − = N − n +
Substituting this into the deflection equation:
y = n + − ( N − n + ) = 2 n + − N y = n_+ - (N - n_+) = 2n_+ - N y = n + − ( N − n + ) = 2 n + − N
⟹ n + = y + N 2 \implies n_+ = \frac{y + N}{2} ⟹ n + = 2 y + N
The number of ways to choose n + n_+ n + “up” 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 + N ) = ( 2 y + N N )
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 ) = 2 N 1 ( n + N ) .
Problem (c): Typical Deflection# Calculate the typical deflection of the chain end, ⟨ y N 2 ⟩ \langle y_N^2 \rangle ⟨ y N 2 ⟩ .
Solution: The Partition Function Trick# We define a “partition function” Z ( β ) Z(\beta) Z ( β ) for the ensemble:
Z ( β ) = ∑ y e β y W ( y ) Z(\beta) = \sum_y e^{\beta y} \mathcal{W}(y) Z ( β ) = ∑ y e β y W ( y )
Note that at β = 0 \beta = 0 β = 0 :
Z ( 0 ) = ∑ y W ( y ) = 2 N Z(0) = \sum_y \mathcal{W}(y) = 2^N Z ( 0 ) = ∑ y W ( y ) = 2 N
The typical deflection can be expressed using derivatives of Z ( β ) Z(\beta) Z ( β ) :
⟨ y N 2 ⟩ = ∑ y y 2 W ( y ) ∑ y W ( y ) = 1 Z ( 0 ) ∂ 2 Z ∂ β 2 ∣ β = 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} ⟨ y N 2 ⟩ = ∑ y W ( y ) ∑ y y 2 W ( y ) = Z ( 0 ) 1 ∂ β 2 ∂ 2 Z β = 0
Calculating Z ( β ) Z(\beta) Z ( β ) # Substituting our expression for y = 2 n + − N y = 2n_+ - N y = 2 n + − N :
Z ( β ) = ∑ n + = 0 N e β ( 2 n + − N ) ( N n + ) = ∑ n + = 0 N ( e β ) n + ( e − β ) N − 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 ( β ) = ∑ n + = 0 N e β ( 2 n + − N ) ( n + N ) = ∑ n + = 0 N ( e β ) n + ( e − β ) N − n + ( n + N )
Using the binomial identity ( a + b ) N = ∑ ( N k ) a k b N − k (a+b)^N = \sum \binom{N}{k} a^k b^{N-k} ( a + b ) N = ∑ ( k N ) a k b N − k with a = e β a=e^\beta a = e β and b = e − β b=e^{-\beta} b = e − β :
Z ( β ) = ( e β + e − β ) N = ( 2 cosh β ) N = 2 N cosh N β Z(\beta) = (e^\beta + e^{-\beta})^N = (2 \cosh \beta)^N = 2^N \cosh^N \beta Z ( β ) = ( e β + e − β ) N = ( 2 cosh β ) N = 2 N cosh N β
Finding the Deflection# First derivative:
Z ′ ( β ) = 2 N ⋅ N cosh N − 1 β ⋅ sinh β Z'(\beta) = 2^N \cdot N \cosh^{N-1} \beta \cdot \sinh \beta Z ′ ( β ) = 2 N ⋅ N cosh N − 1 β ⋅ sinh β
Second derivative:
Z ′ ′ ( β ) = 2 N N [ ( N − 1 ) cosh N − 2 β sinh 2 β + cosh N − 1 β cosh β ] Z''(\beta) = 2^N N \left[ (N-1) \cosh^{N-2} \beta \sinh^2 \beta + \cosh^{N-1} \beta \cosh \beta \right] Z ′′ ( β ) = 2 N N [ ( N − 1 ) cosh N − 2 β sinh 2 β + cosh N − 1 β cosh β ]
Z ′ ′ ( 0 ) = 2 N N [ ( N − 1 ) ( 1 ) ( 0 ) + ( 1 ) ( 1 ) ] = 2 N ⋅ N Z''(0) = 2^N N [ (N-1)(1)(0) + (1)(1) ] = 2^N \cdot N Z ′′ ( 0 ) = 2 N N [( N − 1 ) ( 1 ) ( 0 ) + ( 1 ) ( 1 )] = 2 N ⋅ N
Finally:
⟨ y N 2 ⟩ = Z ′ ′ ( 0 ) Z ( 0 ) = 2 N ⋅ N 2 N = N \langle y_N^2 \rangle = \frac{Z''(0)}{Z(0)} = \frac{2^N \cdot N}{2^N} = N ⟨ y N 2 ⟩ = Z ( 0 ) Z ′′ ( 0 ) = 2 N 2 N ⋅ N = N
This result makes physical sense: for a random walk of N N N steps where each step is ± 1 \pm 1 ± 1 , the variance (typical deflection squared) scales linearly with the number of steps N N N .
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