Related papers: Multicanonical Ensemble: A New Approach to Simulat…
Simulation within the grand canonical ensemble is the method of choice for accurate studies of first order vapour-liquid phase transitions in model fluids. Such simulations typically employ sampling that is biased with respect to the…
According to the recently obtained thermodynamic uncertainty relation, the microcanonical regions with a negative heat capacity can be accessed within a canonical-like description by using a thermostat with a fluctuating inverse…
We report a fairly detailed finite-size scaling analysis of the first-order phase transition in the three-dimensional 3-state Potts model on cubic lattices with emphasis on recently introduced quantities whose infinite-volume extrapolations…
Using the techniques of Neural Networks (NN), we study the three-dimensional (3D) 5-state ferromagnetic Potts model on the cubic lattice as well as the two-dimensional (2D) 3-state antiferromagnetic Potts model on the square lattice. Unlike…
A Microcanonical Finite Site Ansatz in terms of quantities measurable in a Finite Lattice allows to extend phenomenological renormalization (the so called quotients method) to the microcanonical ensemble. The Ansatz is tested numerically in…
We present high resolution numerical simulations of convection in multiphase flows (boiling) using a novel algorithm based on a Lattice Boltzmann method. We first validate the thermodynamical and kinematical properties of the algorithm.…
Multicanonical ensemble simulations for the simulation of first-order phase transitions suffer from exponential slowing down. Monte Carlo autocorrelation times diverge exponentially with free energy barriers $\Delta F$, which in $L^d$ boxes…
Using multicanonical Metropolis simulations we estimate phase transition properties of 3D Potts models for q=4 to 10: The transition temperatures, latent heats, entropy gaps, normalized entropies at the disordered and ordered endpoints,…
We investigate the first-order phase transitions of the $q$-state Potts models with $q = 5, 6, 7$, and $8$ on the two-dimensional square lattice, using Monte Carlo simulations. At the very weakly first-order transition of the $q=5$ system,…
Aggregation transitions in disordered mesoscopic systems play an important role in several areas of knowledge, from materials science to biology. The lack of a thermodynamic limit in systems that are intrinsically finite makes the…
The importance-sampling Monte Carlo algorithm appears to be the universally optimal solution to the problem of sampling the state space of statistical mechanical systems according to the relative importance of configurations for the…
Microcanonical thermodynamics (MT) is analysed for phase transitions of first and second order in finite systems. The transiton temperature, the latent heat and the surface tension of first order transitions can easily be determined by MT…
Equilibrium statistics of finite Hamiltonian systems is fundamentally described by the microcanonical ensemble (ME). Canonical, or grand-canonical partition functions are deduced from this by Laplace transform. Only in the thermodynamic…
In previous work, it has been shown that the recently proposed LLR method is very efficient at overcoming strong metastabilities that arise near first-order phase transition points. Here we present a systematic study of the performance of…
Two important enhanced sampling algorithms, simulated (ST) and parallel (PT) tempering, are commonly used when ergodic simulations may be hard to achieve, e.g, due to a phase space separated by large free-energy barriers. This is so for…
We propose the use of microcanonical analyses for numerical studies of peptide aggregation transitions. Performing multicanonical Monte Carlo simulations of a simple hydrophobic-polar continuum model for interacting heteropolymers of finite…
Multiphase flows frequently occur in many important engineering and scientific applications, but modeling of such flows is a rather challenging task due to complex interfacial dynamics between different phases, let alone if the flow is…
The 2D Euler equations is the basic example of fluid models for which a microcanical measure can be constructed from first principles. This measure is defined through finite-dimensional approximations and a limiting procedure. Creutz's…
We demonstrate that substantial progress can be achieved in the study of the phase structure of 4-dimensional compact QED by a joint use of hybrid Monte Carlo and multicanonical algorithms, through an efficient parallel implementation. This…
We performed Monte Carlo simulations of the two-dimensional q-state Potts model with q=10, 15, and 20 to study the energy and magnetization cumulants in the ordered and disordered phase at the first-order transition point $\beta_t$. By…