Related papers: Extension of structure integration to magnetic sys…
We propose a new Monte Carlo algorithm for the free energy calculation based on configuration space sampling. We implement this algorithm for Ising model. Comparison with the exact free energy shows an excellent agreement. We analyse the…
Based on the results published recently [J. Phys. A: Math. Theor. 50, 065201 (2017)], the universal finite-size contributions to the free energy of the square lattice Ising model on the $L\times M$ rectangle, with open boundary conditions…
We study the thermodynamics of Ising spins on the triangular kagome lattice (TKL) using exact analytic methods as well as Monte Carlo simulations. We present the free energy, internal energy, specific heat, entropy, sublattice…
The dynamics of magnetization and energy densities are studied in the two-leg spin-1/2 ladder. Using an efficient pure-state approach based on the concept of typicality, we calculate spatio-temporal correlation functions for large systems…
An analysis of the dynamics is performed, of exactly solvable models for fragile and strong glasses, exploiting the partitioning of the free energy landscape in inherent structures. The results are compared with the exact solution of the…
We present a comprehensive numerical study of dynamic phase transitions in the two-dimensional kinetic Ising model under a non-antisymmetric time-dependent magnetic field including a sinusoidal term and a second harmonic component. We…
This article describes nonequilibrium techniques for the calculation of free energies of solids using molecular dynamics (MD) simulations. These methods provide an alternative to standard equilibrium thermodynamic integration methods and…
We introduce and implement a Monte Carlo scheme to study the equilibrium statistics of polymers in the globular phase. It is based on a model of "interacting elastic lattice polymers" and allows a sufficiently good sampling of long and…
We propose a simple linear scaling expression in reciprocal space for evaluating the ion--electron potential of crystalline solids. The expression replaces the long-range ion--electron potential with an equivalent localized charge…
Here we present a new perspective to the breakdown of ferromagnetic order in two-dimensional spin-lattice models employing the rotation of the underlying lattice. Using an Ising spin system on a square lattice as a prototype, we demonstrate…
The stationary functional of the all-electron density functional plus dynamical mean field theory (DFT+DMFT) formalism to perform free energy calculations and structural relaxations is implemented for the first time. Here, the first order…
For generalized 2D Ising model in an external magnetic field with the interaction of nearest neighbors, next nearest neighbors, all kinds of triple interactions and the quadruple interaction the formulas for finding free energy per lattice…
It is shown that the algorithm introduced in [1] and conceived to deal with continuous degrees of freedom models is well suited to compute the density of states in models with a discrete energy spectrum too. The q=10 D=2 Potts model is…
In this study the magnetization phenomenon has been investigated as a behavior of interacting elementary moments ensemble, with the help of Ising model [1] in the frame of non-extensive statistical mechanics. To investigate the physical…
The equilibrium free energy landscape of an off-lattice model protein as a function of an internal (reaction) coordinate is reconstructed from out-of-equilibrium mechanical unfolding manipulations. This task is accomplished via two…
Time scales associated with activated transitions between glassy metastable states of a free energy functional appropriate for a dense hard sphere system are calculated by using a new Monte Carlo method for the local density variables. We…
We measure the effective mass in a dilute two-dimensional electron system in (111)-silicon by analyzing temperature dependence of the Shubnikov-de Haas oscillations in the low-temperature limit. A strong enhancement of the effective mass…
Lattice models allow for a computationally efficient investigation of motility-induced phase separation (MIPS) compared to off-lattice systems. Simulations are less demanding and thus bigger systems can be accessed with higher accuracy and…
The n-vicinities method for approximate calculations of the partition function of a spin system was proposed previously. The equation of state was obtained in the most general form. In the present publication these results are adapted to…
We consider the Ising model on the square lattice with biaxially correlated random ferromagnetic couplings, the critical point of which is fixed by self-duality. The disorder represents a relevant perturbation according to the extended…