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Statistical Mechanics: The Directed Polymer Problem

A directed polymer consists of atoms i=0,1,2,…,Ni = 0, 1, 2, \dots, N at positions (xi,yi)∈Z2(x_i, y_i) \in \mathbb{Z}^2 of a square lattice. The atom at the origin is fixed at the position x0=y0=0x_0 = y_0 = 0 and the other atoms are chained together such that:

  1. xiβˆ’xiβˆ’1=1x_i - x_{i-1} = 1
  2. ∣yiβˆ’yiβˆ’1∣=1|y_i - y_{i-1}| = 1

This polymer is hence oriented in the xx-direction and does not self-intersect.

Intuition & Setup#

Using these properties, we can graph points on Z2\mathbb{Z}^2. The polymer is the curve formed by connecting these points.

  • Origin: O=(0,0)O = (0, 0).
  • X-movement: Each subsequent atom is exactly one unit to the right (xiβˆ’xiβˆ’1=1x_i - x_{i-1} = 1).
  • Y-movement: Each step must be either one unit up or one unit down (yiβˆ’yiβˆ’1=Β±1y_i - y_{i-1} = \pm 1).
NOTE

[Diagram Placeholder: All possible paths till n=3n=3] For each step in the x-direction, the polymer branches into two possible y-directions (up or down).

For a polymer of length NN, we have: (2Β choicesΒ afterΒ origin)Γ—(2Β choicesΒ afterΒ nodeΒ 1)Γ—β‹―=2NΒ totalΒ choices(2 \text{ choices after origin}) \times (2 \text{ choices after node 1}) \times \dots = 2^N \text{ 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.

Particle1 (Origin)23…N+1
Choices122…2
Node (x)012…N

The total number of microstates W\mathcal{W} is: W=1⏟FixedΓ—2Γ—2Γ—β‹―Γ—2⏟N=2N\mathcal{W} = \underbrace{1}_{\text{Fixed}} \times \underbrace{2 \times 2 \times \dots \times 2}_{N} = 2^N


Problem (b): Microstates with Specific Deflection#

Determine the total number of microstates W(y)\mathcal{W}(y) having the property yN=yy_N = y.

Solution#

Let Οƒi=yiβˆ’yiβˆ’1∈{+1,βˆ’1}\sigma_i = y_i - y_{i-1} \in \{+1, -1\} be the β€œsign” of each step. Let n+n_+ be the number of steps up and nβˆ’n_- be the number of steps down.

The total deflection is: yN=βˆ‘i=1NΟƒi=n+βˆ’nβˆ’=yy_N = \sum_{i=1}^N \sigma_i = n_+ - n_- = y

We also know the total number of steps is NN: n++nβˆ’=Nβ€…β€ŠβŸΉβ€…β€Šnβˆ’=Nβˆ’n+n_+ + n_- = N \implies n_- = N - n_+

Substituting this into the deflection equation: y=n+βˆ’(Nβˆ’n+)=2n+βˆ’Ny = n_+ - (N - n_+) = 2n_+ - N β€…β€ŠβŸΉβ€…β€Šn+=y+N2\implies n_+ = \frac{y + N}{2}

The number of ways to choose n+n_+ β€œup” steps out of NN total steps is given by the binomial coefficient: W(y)=(Nn+)=(Ny+N2)\mathcal{W}(y) = \binom{N}{n_+} = \binom{N}{\frac{y+N}{2}}

The probability of finding such a state is P(y)=W(y)W=12N(Nn+)P(y) = \frac{\mathcal{W}(y)}{\mathcal{W}} = \frac{1}{2^N} \binom{N}{n_+}.


Problem (c): Typical Deflection#

Calculate the typical deflection of the chain end, ⟨yN2⟩\langle y_N^2 \rangle.

Solution: The Partition Function Trick#

We define a β€œpartition function” Z(Ξ²)Z(\beta) for the ensemble: Z(Ξ²)=βˆ‘yeΞ²yW(y)Z(\beta) = \sum_y e^{\beta y} \mathcal{W}(y)

Note that at Ξ²=0\beta = 0: Z(0)=βˆ‘yW(y)=2NZ(0) = \sum_y \mathcal{W}(y) = 2^N

The typical deflection can be expressed using derivatives of Z(Ξ²)Z(\beta): ⟨yN2⟩=βˆ‘yy2W(y)βˆ‘yW(y)=1Z(0)βˆ‚2Zβˆ‚Ξ²2∣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}

Calculating Z(Ξ²)Z(\beta)#

Substituting our expression for y=2n+βˆ’Ny = 2n_+ - N: Z(Ξ²)=βˆ‘n+=0NeΞ²(2n+βˆ’N)(Nn+)=βˆ‘n+=0N(eΞ²)n+(eβˆ’Ξ²)Nβˆ’n+(Nn+)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_+}

Using the binomial identity (a+b)N=βˆ‘(Nk)akbNβˆ’k(a+b)^N = \sum \binom{N}{k} a^k b^{N-k} with a=eΞ²a=e^\beta and b=eβˆ’Ξ²b=e^{-\beta}: Z(Ξ²)=(eΞ²+eβˆ’Ξ²)N=(2cosh⁑β)N=2Ncosh⁑NΞ²Z(\beta) = (e^\beta + e^{-\beta})^N = (2 \cosh \beta)^N = 2^N \cosh^N \beta

Finding the Deflection#

First derivative: Zβ€²(Ξ²)=2Nβ‹…Ncosh⁑Nβˆ’1Ξ²β‹…sinh⁑βZ'(\beta) = 2^N \cdot N \cosh^{N-1} \beta \cdot \sinh \beta

Second derivative: Zβ€²β€²(Ξ²)=2NN[(Nβˆ’1)cosh⁑Nβˆ’2Ξ²sinh⁑2Ξ²+cosh⁑Nβˆ’1Ξ²cosh⁑β]Z''(\beta) = 2^N N \left[ (N-1) \cosh^{N-2} \beta \sinh^2 \beta + \cosh^{N-1} \beta \cosh \beta \right] Zβ€²β€²(0)=2NN[(Nβˆ’1)(1)(0)+(1)(1)]=2Nβ‹…NZ''(0) = 2^N N [ (N-1)(1)(0) + (1)(1) ] = 2^N \cdot N

Finally: ⟨yN2⟩=Zβ€²β€²(0)Z(0)=2Nβ‹…N2N=N\langle y_N^2 \rangle = \frac{Z''(0)}{Z(0)} = \frac{2^N \cdot N}{2^N} = N

This result makes physical sense: for a random walk of NN steps where each step is Β±1\pm 1, the variance (typical deflection squared) scales linearly with the number of steps NN.


TIP

Full Reference: You can download the original problem set with full diagrams here: Download Directed Polymer PDF

Statistical Mechanics: The Directed Polymer Problem
https://rohankulkarni.me/posts/notes/directed-polymer/
Author
Rohan Kulkarni
Published at
2020-12-23
License
CC BY-NC-SA 4.0