The zone strong coupling two-channel totally asymmetric simple exclusion processes

This article investigates the zone strong coupling two-channel totally asymmetric simple exclusion processes (TASEPs). The study is based on Pronina and Kolomeisky’s work [J. Phys. A-Math. Gen. 37, 9907 (2004)], in which the coupling exists within two whole parallel channels. Zone strong coupling two-channel TASEPs focuses on the behavior and the effect of a particular segment rather than the whole channel. The study shows that there are five possible stationary phases; LD/LD, HD/HD, MC/LD, LD/HD, and MC/HD. The phase diagrams and the density profiles are investigated using computer Monte Carlo simulations and mean-field approximation. The outcomes of the simulations match agreeably with the analytical predictions.     

Asymmetric coupling in two-lane simple exclusion processes: Effect of unequal injection rates

This Letter investigates the effect of unequal injection rates on two-lane simple exclusion processes with asymmetric coupling. It is a generalization of the work of Pronina and Kolomeisky [E. Pronina, A.B. Kolomeisky, Physica A 372 (2006) 12], in which the injection rates of two lanes are equal. With the injection rate α₁ increases, the (1,LD), (1,HD), (1,MC) and (MC,MC) phase region do not change, while the (LD,0) phase regions shrink and the (HD,0) and (MC,0) phase regions expand. Interestingly, domain walls are observed in both lanes when the system is in the (MC,MC) phase. However, the unequal injection rates have little effect on the domain wall dynamics. The phase diagram and the density profiles are investigated by using Monte Carlo simulations and mean-field approximation. The analytical results are in good agreement with simulations.     

Mixed Ising ferrimagnets with next-nearest-neighbour couplings on square lattices

We study Ising ferrimagnets on square lattices with antiferromagnetic exchange couplings between spins of values S = 1/2 and 1 on neighbouring sites, couplings between S = 1 spins at next-nearest-neighbour sites of the lattice and a single-site anisotropy term for the S = 1 spins. Using mainly ground state considerations and extensive Monte Carlo simulations, we investigate various aspects of the phase diagram, including compensation points, critical properties and temperature-dependent anomalies. In contrast to previous belief, the next-nearest-neighbour couplings, when being of antiferromagnetic type, may lead to compensation points.     

Characterizing symmetry breaking patterns in a lattice by dual degrees of freedom

A duality transformation in quantum field theory is usually established first through partition functions. It is always important to explore the dual relations between various correlation functions in the transformation. Here, we explore such a dual relation to study quantum phases and phase transitions in an extended boson Hubbard model at 1/3 (2/3) filling on a triangular lattice. We develop systematically a simple and effective way to use the vortex degrees of freedom on dual lattices to characterize both the density wave and valence bond symmetry breaking patterns of the boson insulating states in the direct lattices. In addition to a checkerboard charge density wave (X-CDW) and a stripe CDW, we find a novel CDW-VBS phase which has both local CDW and local valence bond solid (VBS) orders. Implications for Quantum Monte Carlo simulations are addressed. The possible experimental realizations of cold atoms loaded on optical lattices are discussed.     

Configurational entropy of adsorbed rigid rods: Theory and Monte Carlo simulations

The configurational entropy of straight rigid rods of length k (k-mers) adsorbed on square, honeycomb, and triangular lattices is studied by combining theory and Monte Carlo (MC) simulations in grand canonical and canonical ensembles. Three theoretical models to treat k-mer adsorption on two-dimensional lattices have been discussed: (i) the Flory-Huggins approximation and its modification to address linear adsorbates; (ii) the well-known Guggenheim-DiMarzio approximation; and (iii) a simple semi-empirical model obtained by combining exact one-dimensional calculations, its extension to higher dimensions and Guggenheim-DiMarzio approach. On the other hand, grand canonical and canonical MC calculations of the configurational entropy were obtained by using a thermodynamic integration technique. In the second case, the method relies upon the definition of an artificial Hamiltonian associated with the system of interest for which the entropy of a reference state can be exactly known. Thermodynamic integration is then applied to calculate the entropy in a given state of the system of interest. Comparisons between MC simulations and theoretical results were used to test the accuracy and reliability of the models studied.     

Two-dimensional roughening of adsorbate islands in thermodynamic equilibrium

Equilibrium fluctuations of islands of adsorbed O atoms on Ru(0001) were investigated by scanning tunneling microscopy (STM), density functional theory calculations (DFT) and Monte Carlo (MC) simulations. Very ramified (2 x 2)-O islands were observed by high-speed STM that point to complex interactions between the O atoms. The DFT calculations show that, in addition to pairwise attractive interactions between third-nearest neighbors, a repulsive three-body interaction exists between these. MC simulations that include three-body interactions reproduce the observed ordering behavior.     

Single and multiple random walks on random lattices: Excitation trapping and annihilation simulations

Random walk simulations of exciton trapping and annihilation on binary and ternary lattices are presented. Single walker visitation efficiencies for ordered and random binary lattices are compared. Interacting multiple random walkers on binary and ternary random lattices are presented in terms of trapping and annihilation efficiencies that are related to experimental observables. A master equation approach, based on Monte Carlo cluster distributions, results in a nonclassical power relationship between the exciton annihilation rate and the exciton density.     

Coulomb and liquid dimer models in three dimensions

We study classical hard-core dimer models on three-dimensional lattices using analytical approaches and Monte Carlo simulations. On the bipartite cubic lattice, a local gauge field generalization of the height representation used on the square lattice predicts that the dimers are in a critical Coulomb phase with algebraic, dipolar correlations, in excellent agreement with our large-scale Monte Carlo simulations. The nonbipartite fcc and Fisher lattices lack such a representation, and we find that these models have both confined and exponentially deconfined but no critical phases. We conjecture that extended critical phases are realized only on bipartite lattices, even in higher dimensions.     

Commensurate two-component bosons in an optical lattice: ground state phase diagram

Two sorts of bosons in an optical lattice at commensurate filling factors can form five stable super-fluid and insulating ground states with rich and nontrivial phase diagram. The structure of the ground state diagram is established by mapping a d-dimensional quantum system onto a (d+1)-dimensional classical loop-current model and Monte Carlo (MC) simulations of the latter. Surprisingly, the quantum phase diagram features, besides second-order lines, first-order transitions and two multicritical points. We explain why first-order transitions are generic for models with pairing interactions using microscopic and mean-field (MF) arguments. In some cases, the MC results strongly deviate from the MF predictions.     

Effect of unequal injection rates on asymmetric exclusion processes with junction

In this paper, we investigate the effect of unequal injection rates on totally asymmetric simple exclusion processes (TASEPs) with a 2-input 1-output junction and parallel update. A mean-field approach is developed to deal with the junction that connects two sub-chains and the single main chain. We obtain the stationary particle currents, density profiles and phase diagrams. Interestingly, we find that the number of stationary-state phases is changeable depending on the value of α₁ (α₁ is the injection rate on the first sub-chain). When α₁ > 1/3, there are seven stationary-state phases in the system, however when α₁< 1/3, only six stationary-state phases exist in the system. The theoretical calculations are shown to be in agreement with Monte Carlo simulations.     

Phase coherence, visibility, and the superfluid-Mott-insulator transition on one-dimensional optical lattices

We study the phase coherence and visibility of trapped atomic condensates on one-dimensional optical lattices, by means of quantum Monte Carlo simulations. We obtain structures in the visibility similar to the kinks recently observed experimentally by Gerbier et al. [Phys. Rev. Lett. 95, 050404 (2005); 10.1103/PhysRevLett.95.050404cond-mat/0507087]. We examine these features in detail and offer a connection to the evolution of the density profiles as the depth of the lattice is increased. Our simulations reveal that, as the interaction strength U is increased, the evolution of superfluid and Mott-insulating domains stall for finite intervals of U. The density profiles do not change with increasing U. We show here that in one dimension the visibility provides unequivocal signatures of the melting of Mott domains with densities larger than 1.     

Effect of unequal injection rates and different hopping rates on asymmetric exclusion processes with junction

In this paper, the effects of unequal injection rates and different hopping rates on the asymmetric simple exclusion process (ASEP) with a 2-input 1-output junction are studied by using a simple mean-field approach and extensive computer simulations. The steady-state particle currents, the density profiles, and the phase diagrams are obtained. It is shown that with unequal injection rates and different hopping rates, the phase diagram structure is qualitatively changed. The theoretical calculations are in good agreement with Monte Carlo simulations.     

Overcoming artificial spatial correlations in simulations of superstructure domain growth with parallel Monte Carlo algorithms

We study the applicability of parallelized/vectorized Monte Carlo (MC) algorithms to the simulation of domain growth in two-dimensional lattice gas models undergoing an ordering process after a rapid quench below an order-disorder transition temperature. As examples we consider models with 2×1 andc(2×2) equilibrium superstructures on the square and rectangular lattices, respectively. We also study the case of phase separation (1×1 islands) on the square lattice. A generalized parallel checkerboard algorithm for Kawasaki dynamics is shown to give rise to artificial spatial correlations in all three models. However, only ifsuperstructure domains evolve do these correlations modify the kinetics by influencing the nucleation process and result in a reduced growth exponent compared to the value from the conventional heat bath algorithm with random single-site updates. In order to overcome these artificial modifications, two MC algorithms with a reduced degree of parallelism (hybrid and mask algorithms, respectively) are presented and applied. As the results indicate, these algorithms are suitable for the simulation of superstructure domain growth on parallel/vector computers.     

Josephson current through a nanoscale magnetic quantum dot

We present theoretical results for the equilibrium Josephson current through an Anderson dot tuned into the magnetic regime, using Hirsch-Fye Monte Carlo simulations covering the complete crossover from Kondo-dominated physics to pi junction behavior in a numerically exact way. Within the "magnetic" regime, U/Gamma > 1 and epsilon0/Gamma < or = 1, the Josephson current is found to depend only on Delta/TK, where Delta is the BCS gap and TK the Kondo temperature. The junction behavior can be classified into four different quantum phases. We describe these behaviors, specify the associated three transition points, and identify a local minimum in the critical current of the junction as a function of Delta/TK.     

Interplay of first-order kinetic and thermodynamic phase transitions in heterogeneous catalytic reactions

Using the rate constants obtained on the basis of independent transient measurements and density functional theory calculations, we perform Monte Carlo (MC) simulations of the bistable kinetics of the N2O-CO reaction on Pd(110) at 450 K. In the absence of lateral interactions, the MC technique predicts a wide hysteresis loop in perfect agreement with the mean-field analysis. With attractive substrate-mediated lateral interactions resulting in the formation of (1 x 2) O islands and reducing the reaction rate inside islands, the hysteresis is found to be dramatically (about 5 times) narrower. This finding explains why the first-order kinetic phase transition experimentally observed in this reaction is not accompanied by hysteresis.     

Terahertz current oscillations in single-walled zigzag carbon nanotubes

We report time-dependent terahertz current oscillations on an n=10 single-walled zigzag carbon nanotube (CNT) that is 100 nm long. To obtain transport characteristics in this CNT, we developed an ensemble Monte Carlo (MC) simulator, which self-consistently calculates the electron transport and electrical potential. The ensemble MC simulations indicate that, under certain dc bias and doping conditions, the average electron velocity and concentration oscillate. This leads to current oscillations in space and time, on the tube, and at the contacts. We attribute this to accumulation and depletion of the CNT electrons at different locations on the tube, giving rise to low and high density electron regions. These local dipoles are a result of intra- and intersubband scatterings and different subband dispersion relations. This in turn forms propagating dipoles and current oscillations.     

Surface tension of an electrolyte-air interface: a Monte Carlo study

We present a new method for calculating the surface tension of an electrolyte-air interface using Monte Carlo (MC) simulations with an implicit solvent in a spherical drop geometry. The boundary conditions for the electric field at the interface are accounted for using image and counter-image charges. The density profiles obtained from the simulations are used to calculate the excess surface tension of the electrolyte-air interface using the Gibbs adsorption isotherm equation. The results are found to be in good agreement with experiments and the earlier theoretical calculations.     

A study on the distribution of adsorbed nanoparticles

We use Monte Carlo simulation to calculate the distributions of particles under adsorption force near planar and cylindrical surfaces,respectively.Both hard sphere interaction and repulsive Yukawa (screened coulomb) interaction are employed in our simulations.We study the influence of the inter-particle potentials.The difference between the MC simulation results and the analytical results of ideal gas model shows that the interaction between particles plays an important role in the density distribution under external fields.Moreover,the 2-dimensional constructions of particles close to the surface are studied and show relations of the interaction between particles.These results may indicate us how to improve the methods of building nanoparticle coatings and nano-scale patterns.     

Scaling in the fan of an unconventional quantum critical point

We present results of extensive finite-temperature quantum Monte Carlo simulations on a SU(2) symmetric S=1/2 quantum antiferromagnet with four-spin interaction [A. W. Sandvik, Phys. Rev. Lett. 98, 227202 (2007)10.1103/PhysRevLett.98.227202]. Our simulations, which are free of the sign problem and carried out on lattices containing in excess of 1.6 x 10(4) spins, indicate that the four-spin interaction destroys the Néel order at an unconventional z = 1 quantum critical point, producing a valence-bond solid paramagnet. Our results are consistent with the "deconfined quantum criticality" scenario.     

Effects of point defects on the phase diagram of vortex states in high- T(c) superconductors in the B parallel to c axis

The phase diagram for the vortex states of high- T(c) superconductors with point defects in the B--> parallel to c axis is drawn by large-scale Monte Carlo simulations. The vortex slush (VS) phase is found between the vortex glass (VG) and vortex liquid (VL) phases. The first-order transition between this novel normal phase and the VL phase is characterized by a sharp jump of the density of dislocations. The first-order transition between the Bragg glass (BG) and VG or VS phases is also clarified. These two transitions are compared with the melting transition between the BG and VL phases.