Monte Carlo Methods in Statistical Physics

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Format: Hardcover
Pub. Date: 1999-04-15
Publisher(s): Oxford University Press
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Summary

This book provides an introduction to Monte Carlo simulations in classical statistical physics and is aimed both at students beginning work in the field and at more experienced researchers who wish to learn more about Monte Carlo methods. It includes methods for both equilibrium and out of equilibrium systems, and discusses in detail such common algorithms as the Metropolis and heat-bath algorithms, as well as more sophisticated ones such as continuous time Monte Carlo, cluster algorithms, multigrid methods, entropic sampling and simulated tempering. Data analysis techniques are also explained starting with straightforward measurement and error-estimation techniques and progressing to topics such as the single and multiple histogram methods and finite size scaling. The last few chapters of the book are devoted to implementation issues, including lattice representations, efficient implementation of data structures, multispin coding, parallelization of Monte Carlo algorithms, and random number generation. The book also includes example programs which show how to apply these techniques to a variety of well-known models.

Table of Contents

Equilibrium Monte Carlo simulations
Introduction
3(28)
Statistical mechanics
3(4)
Equilibrium
7(11)
Fluctuations, correlations and responses
10(5)
An example: the Ising model
15(3)
Numerical methods
18(4)
Monte Carlo simulation
21(1)
A brief history of the Monte Carlo method
22(9)
Problems
29(2)
The principles of equilibrium thermal Monte Carlo simulation
31(14)
The estimator
31(2)
Importance sampling
33(7)
Markov processes
34(1)
Ergodicity
35(1)
Detailed balance
36(4)
Acceptance ratios
40(2)
Continuous time Monte Carlo
42(3)
Problems
44(1)
The Ising model and the Metropolis algorithm
45(42)
The Metropolis algorithm
46(7)
Implementing the Metropolis algorithm
49(4)
Equilibration
53(4)
Measurement
57(11)
Autocorrelation functions
59(6)
Correlation times and Markov matrices
65(3)
Calculation of errors
68(5)
Estimation of statistical errors
68(1)
The blocking method
69(2)
The bootstrap method
71(1)
The jackknife method
72(1)
Systematic errors
73(1)
Measuring the entropy
73(1)
Measuring correlation functions
74(2)
An actual calculation
76(11)
The phase transition
82(2)
Critical fluctuations and critical showing down
84(1)
Problems
85(2)
Other algorithms for the Ising model
87(46)
Critical exponents and their measurement
87(4)
The Wolff algorithm
91(5)
Acceptance ratio for a cluster algorithm
93(3)
Properties of the Wolff algorithm
96(10)
The correlation time and the dynamic exponent
100(2)
The dynamic exponent and the susceptibility
102(4)
Further algorithms for the Ising model
106(13)
The Swendsen--Wang algorithm
106(3)
Niedermayer's algorithm
109(3)
Multigrid methods
112(2)
The invaded cluster algorithm
114(5)
Other spin models
119(14)
Potts models
120(5)
Cluster algorithms for Potts models
125(2)
Continuous spin models
127(5)
Problems
132(1)
The conserved-order-parameter Ising model
133(18)
The Kawasaki algorithm
138(3)
Simulation of interfaces
140(1)
More efficient algorithms
141(4)
A continuous time algorithm
143(2)
Equilibrium crystal shapes
145(6)
Problems
150(1)
Disordered spin models
151(28)
Glassy systems
153(6)
The random-field Ising model
154(3)
Spin glasses
157(2)
Simulation of glassy systems
159(2)
The entropic sampling method
161(8)
Making measurements
162(1)
Internal energy and specific heat
163(1)
Implementing the entropic sampling method
164(2)
An example: the random-field Ising model
166(3)
Simulated tempering
169(10)
The method
169(5)
Variations
174(3)
Problems
177(2)
Ice models
179(31)
Real ice and ice models
179(8)
Arrangement of the protons
182(1)
Residual entropy of ice
183(3)
Three-colour models
186(1)
Monte Carlo algorithms for square ice
187(4)
The standard ice model algorithm
188(1)
Ergodicity
189(2)
Detailed balance
191(1)
An alternative algorithm
191(2)
Algorithms for the three-colour model
193(3)
Comparison of algorithms for square ice
196(5)
Energetic ice models
201(9)
Loop algorithms for energetic ice models
202(3)
Cluster algorithms for energetic ice models
205(4)
Problems
209(1)
Analysing Monte Carlo data
210(53)
The single histogram method
211(8)
Implementation
217(1)
Extrapolating in other variables
218(1)
The multiple histogram method
219(10)
Implementation
226(2)
Interpolating other variables
228(1)
Finite size scaling
229(11)
Direct measurement of critical exponents
230(2)
The finite size scaling method
232(4)
Difficulties with the finite size scaling method
236(4)
Monte Carlo renormalization group
240(18)
Real-space renormalization
240(6)
Calculating critical exponents: the exponent ν
246(4)
Calculating other exponents
250(1)
The exponents δ and &thetas;
251(1)
More accurate transformations
252(4)
Measuring the exponents
256(2)
Problems
258(5)
II Out-of-equilibrium simulations
Out-of-equilibrium Monte Carlo simulations
263(5)
Dynamics
264(4)
Choosing the dynamics
266(2)
Non-equilibrium simulations of the Ising model
268(21)
Phase separation and the Ising model
268(6)
Phase separation in the ordinary Ising model
271(1)
Phase separation in the COP Ising model
271(3)
Measuring domain size
274(4)
Correlation functions
274(3)
Structure factors
277(1)
Phase separation in the 3D Ising model
278(4)
A more efficient algorithm
279(1)
A continuous time algorithm
280(2)
An alternative dynamics
282(7)
Bulk diffusion and surface diffusion
283(1)
A bulk diffusion algorithm
284(4)
Problems
288(1)
Monte Carlo simulations in surface science
289(18)
Dynamics, algorithms and energy barriers
292(9)
Dynamics of a single adatom
293(3)
Dynamics of many adatoms
296(5)
Implementation
301(3)
Kawasaki and bond-counting algorithms
301(1)
Lookup table algorithms
302(2)
An example: molecular beam epitaxy
304(3)
Problems
306(1)
The repton model
307(24)
Electrophoresis
307(2)
The repton model
309(6)
The projected repton model
313(1)
Values of the parameters in the model
314(1)
Monte Carlo simulation of the repton model
315(7)
Improving the algorithm
316(2)
Further improvements
318(2)
Representing configurations of the repton model
320(2)
Results of Monte Carlo simulations
322(9)
Simulations in zero electric field
323(1)
Simulations in non-zero electric field
323(4)
Problems
327(4)
III Implementation
Lattices and data structures
331(25)
Representing lattices on a computer
332(11)
Square and cubic lattices
332(3)
Triangular, honeycomb and Kagome lattices
335(5)
Fcc, bcc and diamond lattices
340(2)
General lattices
342(1)
Data structures
343(13)
Variables
343(2)
Arrays
345(1)
Linked lists
345(3)
Trees
348(4)
Buffers
352(3)
Problems
355(1)
Monte Carlo simulations on parallel computers
356(8)
Trivially parallel algorithms
358(1)
More sophisticated parallel algorithms
359(5)
The Ising model with the Metropolis algorithm
359(2)
The Ising model with a cluster algorithm
361(1)
Problems
362(2)
Multispin coding
364(18)
The Ising model
365(4)
The one-dimensional Ising model
365(2)
The two-dimensional Ising model
367(2)
Implementing multispin-coded algorithms
369(1)
Truth tables and Karnaugh maps
369(4)
A multispin-coded algorithm for the repton model
373(6)
Synchronous update algorithms
379(3)
Problems
380(2)
Random numbers
382(28)
Generating uniformly distributed random numbers
382(14)
True random numbers
384(1)
Pseudo-random numbers
385(1)
Linear congruential generators
386(4)
Improving the linear congruential generator
390(2)
Shift register generators
392(1)
Lagged Fibonacci generators
393(3)
Generating non-uniform random numbers
396(10)
The transformation method
396(3)
Generating Gaussian random numbers
399(2)
The rejection method
401(3)
The hybrid method
404(2)
Generating random bits
406(4)
Problems
409(1)
References 410(45)
Appendices
A Answers to problems
417(16)
B Sample programs
433(5)
B.1 Algorithms for the Ising model
433(1)
B.1.1 Metropolis algorithm
433(2)
B.1.2 Multispin-coded Metropolis algorithm
435(2)
B.1.3 Wolff algorithm
437(1)
B.2 Algorithms for the COP Ising model
438(17)
B.2.1 Non-local algorithm
438(3)
B.2.2 Continuous time algorithm
441(4)
B.3 Algorithms for Potts models
445(3)
B.4 Algorithms for ice models
448(3)
B.5 Random number generators
451(1)
B.5.1 Linear congruential generator
451(1)
B.5.2 Shuffled linear congruential generator
452(1)
B.5.3 Lagged Fibonacci generator
452(3)
Index 455

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