Calculation of the Residual Entropy of Ice Ih by Monte Carlo simulation with the Combination of the Replica-Exchange Wang-Landau algorithm and Multicanonical Replica-Exchange Method
arXiv:2009.11591 · doi:10.1063/5.0038157
Abstract
We estimated the residual entropy of ice Ih by the recently developed simulation protocol, namely, the combination of Replica-Exchange Wang-Landau algorithm and Multicanonical Replica-Exchange Method. We employed a model with the nearest neighbor interactions on the three-dimensional hexagonal lattice, which satisfied the ice rules in the ground state. The results showed that our estimate of the residual entropy is found to be within 0.038 % of series expansion estimate by Nagle and within 0.000077 % of PEPS algorithm by Vanderstraeten. In this article, we not only give our latest estimate of the residual entropy of ice Ih but also discuss the importance of the uniformity of a random number generator in MC simulations.
arXiv comment15 pages, , (Revtex4-1), 12 figures
References in corpus (19)
- Escaping free-energy minima
- An efficient, multiple range random walk algorithm to calculate the density of states
- Exchange Monte Carlo Method and Application to Spin Glass Simulations
- Multicanonical Ensemble: A New Approach to Simulate First-order Phase Transitions
- Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram
- A New Approach to Spin Glass Simulations
- Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape
- A generic, hierarchical framework for massively parallel Wang-Landau sampling
- Scalable replica-exchange framework for Wang-Landau sampling
- Residual entropies for three-dimensional frustrated spin systems with tensor networks
- Residual Entropy of Ordinary Ice from Multicanonical Simulations
- Molecular Dynamics in the Multicanonical Ensemble: Equivalence of Wang-Landau Sampling, Statistical Temperature Molecular Dynamics, and Metadynamics
- Corrections to Pauling residual entropy and single tetrahedron based approximations for the pyrochlore lattice Ising antiferromagnet
- Numerical Simulations of Spin Glass Systems
- Configurational entropy of ice from thermodynamic integration
- Thermodynamics of the classical spin-ice model with nearest neighbour interactions using the Wang-Landau algorithm
- Numerical calculation of the combinatorial entropy of partially ordered ice
- An Efficient Simulation Protocol for Determining the Density of States: Combination of Replica-Exchange Wang-Landau Method and Multicanonical Replica-Exchange Method
- Thermodynamics of two lattice ice models in three dimensions