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We examine the effectiveness of assuming an equal probability for states far from equilibrium. For this aim, we propose a method to construct a master equation for extensive variables describing non-stationary nonequilibrium dynamics. The key point o f the method is the assumption that transient states are equivalent to the equilibrium state that has the same extensive variables, i.e., an equal probability holds for microscopic states in nonequilibrium. We demonstrate an application of this method to the critical relaxation of the two-dimensional Potts model by Monte Carlo simulations. While the one-variable description, which is adequate for equilibrium, yields relaxation dynamics that are very fast, redundant two-variable description well reproduces the true dynamics quantitatively. These results suggest that some class of the nonequilibrium state can be described with a small extension of degrees of freedom, which may lead to an alternative way to understand nonequilibrium phenomena.
Evaporation/condensation transition of the Potts model on square lattice is numerically investigated by the Wang-Landau sampling method. Intrinsically system size dependent discrete transition between supersaturation state and phase-separation state is observed in the microcanonical ensemble by changing constrained internal energy. We calculate the microcanonical temperature, as a derivative of microcanonical entropy, and condensation ratio, and perform a finite size scaling of them to indicate clear tendency of numerical data to converge to the infinite size limit predicted by phenomenological theory for the isotherm lattice gas model.
The exact diagonalization and the variational cluster approximation (VCA) are used to study the nature of a novel Mott insulator induced by a strong spin-orbit coupling for a two-dimensional three-band Hubbard model consisting of the $t_{2g}$ manifol d of $5d$ orbitals. To characterize the ground state, we introduce a local Kramers doublet which can represent a state with effective angular momentum $J_{rm eff}=|{bm S}-{bm L}|=1/2$ as well as spin $S=1/2$. Our systematic study of the pseudo-spin structure factor defined by the Kramers doublet shows that the $J_{rm eff}=1/2$ Mott insulator is smoothly connected to the $S=1/2$ Mott insulator. Using the Kramers doublet as a variational state for the VCA, we examine the one-particle excitations for the Mott insulating phase. These results are compared with recent experiments on Sr$_2$IrO$_4$.
We numerically study the metastable states of the 2d Potts model. Both of equilibrium and relaxation properties are investigated focusing on the finite size effect. The former is investigated by finding the free energy extremal point by the Wang-Land au sampling and the latter is done by observing the Metropolis dynamics after sudden heating. It is explicitly shown that with increasing system size the equilibrium spinodal temperature approaches the bistable temperature in a power-law and the size-dependence of the nucleation dynamics agrees with it. In addition, we perform finite size scaling of the free energy landscape at the bistable point.
149 - Marta L. Guerra 2008
We calculate the efficiency of a rejection-free dynamic Monte Carlo method for $d$-dimensional off-lattice homogeneous particles interacting through a repulsive power-law potential $r^{-p}$. Theoretically we find the algorithmic efficiency in the lim it of low temperatures and/or high densities is asymptotically proportional to $rho^{tfrac{p+2}{2}}T^{-tfrac{d}{2}}$ with the particle density $rho$ and the temperature $T$. Dynamic Monte Carlo simulations are performed in 1-, 2- and 3-dimensional systems with different powers $p$, and the results agree with the theoretical predictions.
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