The Potts Model Laura Beaudin Saint Michael’s College The project described was supported by the Vermont Genetics Network through NIH Grant Number 1 P20 RR16462 from the INBRE program of the National Center for Research Resources. Advisors: Joanna Ellis-Monaghan (Mathematics) Greta Pangborn (Computer Science) 1 Foundations The Potts model is used in an area of mathematical modeling known as Statistical Mechanics. A Lattice is a Graph with a Regular Structure Square lattice The Potts model “provides a framework for relating the microscopic properties … to the macroscopic properties … that can be observed in everyday life” [4]. Triangular lattice The Potts model investigates phase transitions. Honeycomb lattice Models how nearest neighbor elements with different spins interact with one another on a lattice. 2 The Hamiltonian The Hamiltonian measures the overall energy of the state of a system. The Hamiltonian of a state of a 4X4 lattice with 3 choices of spins (colors) for each element. 1 H J i j 0 {i , j } Here J is the energy between elements, i is the spin of an element at position i, and assigns a 1 to an edge between elements with like spins and a 0 between elements with different spins. 3 0 0 0 1 0 1 0 1 1 1 1 0 0 1 0 1 0 0 0 0 0 1 H 10J The Potts Model Partition Function The Potts model investigates state on a lattice. The formula for finding the probability of a particular state in the set of all possible configurations is exp( H ( )) The Potts model partition function of a square lattice with two possible spins on each element. H 4 J H 2 J H 2 J H 2 J H 2 J H 2 J H 2 J H 0 H 0 H 2 J H 2 J H 2 J H 2 J H 2 J H 2 J H 4 J exp( H ( )) all states 1 where k 1.38 1023 joules/Kelvin and T is the temperature of the system. kT The denominator is the Potts model partition function. 4 12exp(2 J ) 2exp(4 J ) 2 Approximations The Potts model partition function is impractical to compute when q 2. and the lattice is large. Computers can be used to approximate these calculations. Monte-Carlo simulations: creates, combines, stores random numbers which represent variables in experiments, to probabilistically generate a representative random sample of data points to get a good estimate of the value you are interested in. Metropolis Algorithm: generates probabilities using the following actions. Begin with a state. Find the energy of the state. Make a small change and find the energy of the new state. If the new energy is lower, the system will move to the new state. If the new energy is higher, the system will move to the new state with a probability of ( EB EA ) / T Where T is the temperature. pe 6 Biological Application This model was developed to see if tumor growth is influenced by the amount and location of a nutrient. H J ( ij ) ( i ' j ' ) 1 ij i ' j ' ( VT ) 2 Kp(i, j ) ij ij Energy function is modified by the volume of a cell and the amount of nutrient. Results: Tumors grow exponentially in the beginning. The tumor migrated toward the nutrient. [15] 7 Sociological Application The Potts model may be used to “examine some of the individual incentives, and perceptions of difference, that can lead collectively to segregation … the extent to which inferences can be drawn, from the phenomenon of collective segregation, about the preferences of individuals, the strength of those preferences, and the facilities for exercising them” [13]. Variables: Preferences of individuals Size of the neighborhoods Number of individuals 8 Physical Application “Foams are of practical importance in applications as diverse as brewing, lubrication, oil recovery, and fire fighting” [9]. H J (1 i j ) (an An ) 2 {i , j } n The energy function is modified by the area of a bubble. Results: Larger bubbles flow faster. There is a critical velocity at which the foam starts to flow uncontrollably. 9 The Tutte Polynomial Encodes structural properties of graphs. (Bridge) Two fundamental graph operations Deletion Contraction (Loop) Recursive Computation T(G; x, y) = T(G-e; x, y) + T(G/e; x, y) if e is not a bridge or a loop. T(GH) = T(G)T(H) if G and H share at most one vertex. T(G) = xi y j if G has only i bridges and j loops. 10 Universality The Tutte polynomial is well-defined: The polynomial does not depend on the order of deletion and contraction. Universality Theorem: If f(G) is a function of graphs such that f(G) = 1 if G consists of only one vertex and no edges, f(G) = af(G-e)+bf(G/e) whenever e is not a loop or a bridge, f(GH) = f(G)f(H) where GH is either the disjoint union of G and H or where G and H share at most one vertex, then f is an evaluation of the Tutte polynomial. 11 x y f (G ) a s btT G; 0 , 0 b a Where s E(G) V (G) k (G), t V (G) k (G), x0 f ( Bridge), and y0 f ( Loop) Relating the Potts model to the Tutte Polynomial Otherwise the Recall that the Hamiltonian places a Hamiltonian places a 1 on an edge 0 on an edge between like spins. between unlike spins. Therefore, we can Therefore, we can contract these edges. delete these edges. Now we can apply the universality theorem to the Potts model partition function. P(G; q, ) q k (G ) v Where v exp( J ) 1. 12 V (G ) k (G ) qv T G; ,1 v v Example The square lattice of slide 4. = + + = + + + = + = x3 x 2 x y Solution using the Universality Theorem P (G; q, ) q k ( G ) v P(G; 2, ) 21 e J Same as slide 4! 13 V (G ) k (G ) qv T G; ,1 v v 3 2 J J 3 e 1 e 1 eJ 1 J 1 J J J e e 1 e 1 e 1 12 exp(2 J ) 2 exp(4 J ) 2 References [1] Albert, M. S. Kiskowski, M. A. Glazier, J. A. and Jiang, Y. http://math.lanl.gov/~yi/Papers/CArev.pdf. On Cellular Automaton Approaches to Modeling Biological Cells [2] Ashkin, Julius; Teller, Edward. Statistics of Two Dimensional Lattices with Four Components, Physics Review, 64, pp. 178184. (1943) [3] Bodkin, Patricia; Cox, Mary; Ellis-Monaghan, Jo; Sherman, Whitney. Contraction-Deletion Invariants: The Tutte Polynomial in Engineering, Biology, and Physics. Manuscript. June 2006. [4] Chandler, David. Introduction to Modern Statistical Mechanics. Oxford University Press. [5] Chang, Shu-Chiuan; Shrock, Robert. Exact Partition Function for the Potts Model with Next-Nearest Neighbor Coupling on Arbitrary-Length Ladders. International Journal of Modern Physics B, Vol. 15, No. 5. 2001 443-478. World Scientific Publishing Company. [6] Ellis-Monaghan, Jo. From Potts to Tutte and back again … A graph theoretical view of statistical mechanics. PowerPoint Presentation at Middlebury College. October 2005. [7] http://saeta.physics.hmc.edu/courses/p170/Metropolis.pdf#search='the%20metropolis%20algorithm%2C %20%20when%20studying%20systems%20with%20a%20great%20many%20particles%2C%20it'. The Metropolis Algorithm; Statistical Systems and Simulated Annealing. [8] Huang, Kerson. Statistical Mechanics. Wiley John & Sons, Inc. 1990 [9] Jiang, Yi; Glazier, James A. Extended large-Q model simulation of foam drainage. Department of Physics, University of Notre Dame, Notre Dame, Indianna. 1996. [10] Kroemer, Herbert; Kittel, Charles. Thermal Physics (2nd ed.) W.H. Freeman Company. 1980. [11] Meyer, Peter. Coputational Studies of Pure and Dilute Spin Models. 2000 [12] Sanyal, Soma; Glazier, James A. Viscous instabilities in flowing foams: A Cellular Potts Model approach. [13] Schelling, Thomas C. Dynamic Models of Segregations. Havard University. Journal of Mathematical Sociology. [14] Schulze, Christian. Potts-Like Model for Ghetto Formation in Multi-Cultural Societies. Internatoinal Journal of Modern Physics C. Vol. 16, No. 3 (2005) 351-355 [15] Sun, L. Chang, Y. F. Cai, X. A Discrete Simulation of Tumor Growth Concerning Nutrient Influence. The Institute of Particle Physics, Central China Normal University. Wuhan, Hubei. August 2003. [16] Winston, Wayne L. Operations Research: Applications and Algorithms. Second Edition. Duxbury Press. Belmont California. 1991. [17] Welsh, D. J. A.; Merino, C. “The Potts model and the Tutte polynomial.” American Institute of Physics. 2000. 5