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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Comparison of cluster algorithms for the bond-diluted Ising model.
Arnold H Kole1, Gerard T Barkema2, Lars Fritz3
1Debye Institute for Nanomaterials Science, Condensed Matter and Interfaces, Utrecht University, Princetonplein 1, 3584 CC Utrecht, The Netherlands.
The Wolff cluster algorithm is inefficient for the bond-diluted Ising model due to isolated spins, while the Swendsen-Wang algorithm remains efficient. This study compares their performance, revealing significant differences in correlation times.
Area of Science:
- Statistical Mechanics
- Computational Physics
- Condensed Matter Physics
Background:
- Monte Carlo cluster algorithms are widely used for studying the Ising model near critical temperatures.
- The efficiency of these algorithms in the bond-diluted Ising model is not fully understood.
Purpose of the Study:
- To compare the performance of Wolff and Swendsen-Wang cluster algorithms for the 2D bond-diluted Ising model.
- To analyze how correlation times scale with system size for these algorithms.
Main Methods:
- Comparison of correlation times (τ_w and τ_sw) for Wolff and Swendsen-Wang algorithms.
- Analysis of scaling with system size (L) for the 2D bond-diluted Ising model.
- Theoretical lower bound derivation for Wolff algorithm's correlation time.
Main Results:
- The Wolff algorithm exhibits significantly longer correlation times in the diluted model compared to the pure Ising model.
- Isolated spins cause the Wolff algorithm's correlation time to scale as L^z_w, with z_w ≈ 1.75.
- The Swendsen-Wang algorithm shows shorter correlation times, even faster than in the pure Ising model, with a dynamical exponent z_sw = 0.09(4) at p=0.6.
Conclusions:
- The efficiency of cluster algorithms is highly dependent on the specific model, with the Wolff algorithm underperforming in the bond-diluted Ising model.
- The Swendsen-Wang algorithm is a more suitable choice for studying the 2D bond-diluted Ising model due to its superior efficiency.
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