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arXiv:1610.07692 · Physical review. E

Numerical simulations of Ising spin glasses with free boundary conditions: The role of droplet excitations and domain walls

Wenlong Wang

Published Mar 28, 2017• 3 citations
arXivHTMLPDF

Abstract

The relative importance of the contributions of droplet excitations and domain walls on the ordering of short-range Edwards-Anderson spin glasses in three and four dimensions is studied. We compare the spin overlap distribution functions of periodic and free boundary conditions using population annealing Monte Carlo. For system sizes up to about 1000 spins, spin glasses show nontrivial spin overlap distributions. Periodic boundary conditions may trap diffusive domain walls which can contribute to small spin overlaps, and the other contribution is the existence of low-energy droplet excitations within the system. We use free boundary conditions to minimize domain-wall effects, and show that low-energy droplet excitations are the major contribution to small overlaps in numerical simulations. Free boundary conditions has stronger finite-size effects, and is likely to have the same thermodynamic limit with periodic boundary conditions.

DOI
10.1103/physreve.95.032143

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The relative importance of the contributions of droplet excitations and domain walls on the ordering of short-range Edwards-Anderson spin glasses in three and four dimensions is studied. We compare the spin overlap distribution functions of periodic and free boundary conditions using population annealing Monte Carlo. For system sizes up to about 1000 spins, spin glasses show nontrivial spin overlap distributions. Periodic boundary conditions may trap diffusive domain walls which can contribute to small spin overlaps, and the other contribution is the existence of low-energy droplet excitations within the system. We use free boundary conditions to minimize domain-wall effects, and show that low-energy droplet excitations are the major contribution to small overlaps in numerical simulations. Free boundary conditions has stronger finite-size effects, and is likely to have the same thermodynamic limit with periodic boundary conditions.
The question of the number of thermodynamic states present in the low-temperature phase of the three-dimensional Edwards-Anderson Ising spin glass is addressed by studying spin- and link-overlap distributions using population annealing Monte Carlo simulations. We consider overlaps between systems with the same boundary condition, which are the usual quantities measured, and also overlaps between systems with different boundary conditions, both for the full systems and also within a smaller window within the system. Our results appear to be fully compatible with a single pair of pure states such as in the droplet-scaling picture. However, our results for whether or not domain walls induced by changing boundary conditions are space filling or not are also compatible with scenarios having many thermodynamic states, such as the chaotic-pairs picture and the replica-symmetry-breaking picture. The differing results for spin overlaps in the same and different boundary conditions suggest that finite-size effects are very large for the system sizes currently accessible in low-temperature simulations.
A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. In particular, it is unclear if theories that assert a single pair of pure states, or theories that are based on infinitely many pure states---such as replica symmetry breaking---best describe realistic short-range systems. To resolve this controversy, the three-dimensional Edwards-Anderson Ising spin glass in thermal boundary conditions is studied numerically using population annealing Monte Carlo. In thermal boundary conditions all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size corrections due to domain walls. From the relative weighting of the eight boundary conditions for each disorder instance a sample stiffness is defined, and its typical value is shown to grow with system size according to a stiffness exponent. An extrapolation to the large-system-size limit is in agreement with a description that supports the droplet picture and other theories that assert a single pair of pure states. The results are, however, incompatible with the mean-field replica symmetry breaking picture, thus highlighting the need to go beyond mean-field descriptions to accurately describe short-range spin-glass systems.
We have argued in recent papers that the Monte Carlo results for the equilibrium properties of the Edwards-Anderson spin glass in three dimensions, which had been interpreted earlier as providing evidence for replica symmetry breaking, can be explained quite simply within the droplet model once finite-size effects and proximity to the critical point are taken into account. In this paper we show that similar considerations are sufficient to explain the Monte Carlo data in four dimensions. In particular, we study the Parisi overlap and the link overlap for the four-dimensional Ising spin glass in the Migdal-Kadanoff approximation. Similar to what is seen in three dimensions, we find that temperatures well below those studied in the Monte Carlo simulations have to be reached before the droplet model predictions become apparent. We also show that the double-peak structure of the link overlap distribution function is related to the difference between domain-wall excitations that cross the entire system and droplet excitations that are confined to a smaller region.
We study large-scale, low-energy excitations in the Ising spin glass with Gaussian interactions in two dimensions at zero temperature, using an optimization algorithm to determine exact ground states. Periodic boundary conditions are applied. Our results for the fractal dimension of the surface, ds,{d}_{s},ds​, and stiffness exponent, ${\ensuremath{\theta}}^{\ensuremath{'}},$ for ``droplet'' excitations, are in reasonable agreement with estimates from ``domain wall'' calculations, and so support the predictions of the ``droplet theory.'' Restricting our analysis to small lattices, we do not find an effective value of ${\ensuremath{\theta}}^{\ensuremath{'}}$ close to $\ensuremath{-}0.47$ as has been recently proposed. The effects of averaging over droplets of different sizes are studied and are also found to be too small to give ${\ensuremath{\theta}}^{\ensuremath{'}}\ensuremath{\approx}\ensuremath{-}0.47$ for smaller sizes. Larger corrections to finite-size scaling would be needed in three and four dimensions in order for the numerical data used to support the ``TNT'' scenario to be compatible with the droplet theory prediction that the stiffness exponent is the same for droplets and domain walls.
We analyze exact ground-state energies of two-dimensional Ising spin glasses with either Gaussian or bimodal nearest-neighbor interactions for large system sizes and for three types of boundary conditions: free on both axes, periodic on both axes, and free on one axis and periodic on the other. We find accurate values for bulk-, edge-, and corner-site energies. Fits for the system with Gaussian bonds are excellent for all types of boundary conditions over the whole range of system sizes. In particular, the leading behavior for nonfree boundary conditions is governed by the stiffness exponent $\ensuremath{\theta}\ensuremath{\approx}\ensuremath{-}0.282$ describing the scaling of domain-wall and droplet excitations. For the system with a bimodal distribution of bonds the fit is good for free boundary conditions but worse for other geometries, particularly for periodic-free boundary conditions where there appear to be unorthodox corrections to scaling up to large sizes. Finally, by introducing hard bonds we test explicitly for the Gaussian case the relationship between domain walls and the standard scaling behavior.
We study the fragility of spin glasses to small temperature perturbations numerically using population annealing Monte Carlo. We apply thermal boundary conditions to a three-dimensional Edwards-Anderson Ising spin glass. In thermal boundary conditions all eight combinations of periodic versus antiperiodic boundary conditions in the three spatial directions are present, each appearing in the ensemble with its respective statistical weight determined by its free energy. We show that temperature chaos is revealed in the statistics of crossings in the free energy for different boundary conditions. By studying the energy difference between boundary conditions at free-energy crossings, we determine the domain-wall fractal dimension. Similarly, by studying the number of crossings, we determine the chaos exponent. Our results also show that computational hardness in spin glasses and the presence of chaos are closely related.