Testing approximate theories of first-order phase transitions on the two-dimensional Potts model

The two-dimensional,q-state (q>4) Potts model is used as a testing ground for approximate theories of first-order phase transitions. In particular, the predictions of a theory analogous to the Ramakrishnan-Yussouff theory of freezing are compared with those of ordinary mean-field (Curie-Wiess) theory. It is found that the Curie-Weiss theory is a better approximation than the Ramakrishnan-Yussouff theory, even though the former neglects all fluctuations. It is shown that the Ramakrishnan-Yussouff theory overestimates the effects of fluctuations in this system. The reasons behind the failure of the Ramakrishnan-Yussouff approximation and the suitability of using the two-dimensional Potts model as a testing ground for these theories are discussed.     

二维自旋系统aging现象的数值模拟研究

应用动力学蒙特卡罗模拟方法，对二维Ising模型和二维XY模型的aging现象展开数值研究.系统在零外场条件下从高温无序相淬火到临界温度T_c时，通过测量自关联函数A(t,t′)，观察到二维Ising模型和二维XY模型的aging现象，获得更精确的动力学临界指数λ_c和z的值.特别是对二维XY模型，当初始态为完全无序态时，模拟结果证实存在关于标度行为的对数修正. 关键词： 蒙特卡罗模拟 相变和临界行为 aging现象     

TheXY model and the three-state antiferromagnetic Potts model in three dimensions: Critical properties from fluctuating boundary conditions

We present the results of a Monte Carlo study of the three-dimensionalXY model and the three-dimensional antiferromagnetic three-state Potts model. In both cases we compute the difference of the free energies of a system with periodic and a system with antiperiodic boundary conditions in a neighborhood of the critical coupling. From the finite-size scaling behaviour of this quantity we extract values for the critical temperature and the critical exponentv that are compatible with recent high-statistics Monte Carlo studies of the models. The results for the free energy difference at the critical temperature and for the exponentv confirm that both models belong to the same universality class.     

Bethe ansatz equations for the brokenZ N -symmetric model

We obtain the Bethe ansatz equations for the brokenZ _N -symmetric model by constructing a functional relation of the transfer matrix ofL-operators. This model is an elliptic off-critical extension of the Fateev-Zamolodchikov model. We calculate the free energy of this model on the basis of the string hypothesis.     

Monte Carlo study of single-barrier structure based on exclusion model full counting statistics

Different from the usual full counting statistics theoretical work that focuses on the higher order cumulants computation by using cumulant generating function in electrical structures, Monte Carlo simulation of single-barrier structure is performed to obtain time series for two types of widely applicable exclusion models, counter-flows model, and tunnel model. With high-order spectrum analysis of Matlab, the validation of Monte Carlo methods is shown through the extracted first four cumulants from the time series, which are in agreement with those from cumulant generating function. After the comparison between the counter-flows model and the tunnel model in a single barrier structure, it is found that the essential difference between them consists in the strictly holding of Pauli principle in the former and in the statistical consideration of Pauli principle in the latter.     

A numerical study of the hierarchical Ising model: High-temperature versus epsilon expansion

We study numerically the magnetic susceptibility of the hierarchical model with Ising spins (=±1) above the critical temperature and for two values of the epsilon parameter. The integrations are performed exactly using recursive methods which exploit the symmetries of the model. Lattices with up to 2¹⁸ sites have been used. Surprisingly, the numerical data can be fitted very well with a simple power law of the form (1-/ ₀)^g for thewhole temperature range considered. This approximate law implies a simple approximate formula for the coefficients of the high-temperature expansion, and, more importantly, approximate relations among the coefficients themselves. We found that some of these approximate relations hold with errors less then 2%. On the other hand,g differs significantly from the critical exponent calculated with the epsilon expansion, even when the fit is restricted to intervals closer to ^c. We discuss this discrepancy in the context the renormalization group analysis of the hierarchical model.     

Lattice gas generalization of the hard hexagon model. III.q-Trinomial coefficients

In the first two papers in this series we considered an extension of the hard hexagon model to a solvable two-dimensional lattice gas with at most two particles per pair of adjacent sites, and we described the local densities in terms of elliptic theta functions. Here we present the mathematical theory behind our derivation of the local densities. Our work centers onq-analogs of trinomial coefficients.     

Critical dynamics of the three-dimensional Ising model: A Monte Carlo study

Extensive Monte Carlo simulations have been performed to analyze the dynamical behavior of the three-dimensional Ising model with local dynamics. We have studied the equilibrium correlation functions and the power spectral densities of odd and even observables. The exponential relaxation times have been calculated in the asymptotic one-exponential time region. We find that the critical exponentz=2.09 ±0.02 characterizes the algebraic divergence with lattice size for all observables. The influence of scaling corrections has been analyzed. We have determined integrated relaxation times as well. Their dynamical exponentz _int agrees withz for correlations of the magnetization and its absolute value, but it is different for energy correlations. We have applied a scaling method to analyze the behavior of the correlation functions. This method verifies excellent scaling behavior and yields a dynamical exponentz _scal which perfectly agrees withz.     

Superconductivity and antiferromagnetism in the phase diagram of the frustrated Hubbard model within a variational study

The interplay between antiferromagnetism (AF) and superconductivity (SC) in cuprates is studied for the two-dimensional Hubbard model with a diagonal transfer t′, using a variational Monte Carlo method. Optimizing an improved function for strongly correlated values of U/t, we construct phase diagrams in the δ (doping rate)-t′/t space. It is found that the stable state is sensitive to the value of model parameters: For the extremely large values of U/t, a coexisting state is realized for t′/t ? −0.15, whose range of doping rate extends as t′/t increases. In contrast, for t′/t = −0.3, AF and SC states are mutually exclusive, and a coexisting state does not appear. As U/t decreases, the area of pure AF extends, and that of coexisting state shrinks. As a result, the coexisting state disappears for t′/t = −0.15 and U/t = 12, probable values for hole-doped cuprates. Compared with the t–J model, the Hubbard model has richer phases.     

System-parameter dependence of the metallic phase of the non-doped 2D Hubbard model

Naito et al. reported that some non-doped T′-214-type compounds drive high-T_c superconductivity. The compounds are considered to be metallic since on-site Coulomb energy U is moderate and the Fermi surface is much deformed in these compounds. In order to confirm this picture and extract electronic structure information, we have examined the phase diagram of the metallic state of the 2D Hubbard model as a function of U and t′ (with t″ we fixed at − t′/2 here; t′ and t″ are the second- and third-neighbor transfer energies, respectively) by means of the variational Monte–Carlo method. We employed a Jastrow-type Gutzwiller trial wave function. In the studied range of U = 2–12, the boundary value for |t′| at which SDW disappears increases almost linearly with U. Jump-wise transition to the Mott insulator state was not observed. Using the boundary curve and experimental band parameter values, we estimate U  5 for T′-214 compounds. Preceding works are discussed in the last part.     

甲型流感病毒DNA序列的长记忆ARFIMA模型

流感病毒分为三类:甲型(A型),乙型(B型),丙型(C型).在这三种类型中甲型(A型)流感病毒是最致命的流感病毒,对人类引起了严重疾病.本文对甲型流感病毒DNA序列建立了一种新的时间序列模型,即CGR(Chaos Game Representation)弧度序列.利用CGR坐标将甲流病毒DNA序列转换成CGR弧度序列,且引入长记忆ARFIMA模型去拟合此类序列,发现随机找来的10条H1N1序列,10条H3N2序列都具有长相关性且拟合很好,并且还发现这两种序列可以尝试用不同的ARFIMA模型去识别,其中H1 关键词： 甲型流感 时间序列模型 CGR (p')" href="#">ARFIMA(p d 模型')" href="#">q)模型     

从流场分解角度改进Q矢量分析方法及其在暴雨动力识别中的应用

依据水平风场分解思路,运用调和-余弦算法,准确分解有限区域Q矢量.根据已有的关于Q矢量散度和新发展的Q矢量涡度与天气系统对应关系的研究,运用分解得到的Q矢量旋转分量场和辐散分量场,改进传统Q矢量分析方法中单纯依靠Q矢量水平散度场进行的诊断分析.通过对一次暴雨个例的比较研究表明,在雨带形势和暴雨中心位置的动力识别方面,改进的Q关键词： 矢量分析 调和-余弦算法 暴雨 动力识别     

A comparative simulation study on three lattice systems for the phase separation of polymer-dispersed liquid crystals

This article reports a comparative study of the phase separation process in a polymer-dispersed liquid crystal, based on a Metropolis Monte Carlo simulation study of three lattice systems. We propose a model for the different processes occurring in the formation of polymer-dispersed liquid crystals (PDLCs). The mechanism of PDLC is studied as a function of quench temperature, concentration and degree of polymerization of liquid crystals and polymers. The obtained resultant phase diagrams of the three systems are approximated and compared with the Flory-Huggins theory, and show a good agreement. It has been observed in the simulation results that among all the three systems, the 40 × 40 × 40 lattice showed the most accurate, reliable and stable results.      

Monte Carlo study of the triangular XY vector Blume-Emery-Griffiths model

The vectorial generalization of the Blume-Emery-Griffiths model, proposed by Berker and Nelson to describe the behavior of films of ³He-⁴He mixtures, is studied by Monte Carlo simulations on the triangular lattice. The temperature versus chemical potential plane phase diagram, for a biquadratic coupling constant equal to the bilinear coupling constant, presents a Berezinzkii-Kosterlitz-Thouless transition line that ends in a first-order transition line at a critical end point. This first-order transition line, on the other hand, terminates at a single critical point. No tricritical point has been detected. The critical exponent η as a function of temperature is independent of the chemical potential.     

自对耦无序分布随机链Potts模型的临界普适性研究

以蒙特卡罗模拟方法对自对耦分布二维随机链q态Potts模型的短时临界行为进行了数值研究.利用初始非平衡演化阶段存在的普适幂指数和有限体积标度行为，数值模拟了在不同形式随机分布时q＝3和q＝8态Potts模型磁临界指数η和动力学临界指数z.计算结果发现η不依赖于自对偶无序分布的具体形式， 从而以数值方法给出了一个关于淬火掺杂自旋系统的临界普适行为的验证. 关键词： 随机链Potts模型 动力学蒙特卡罗模拟 临界普适性     

A theoretical study of magnetic phase transitions in ultra-thin films: Application to NiO

Phase diagrams and critical temperatures of projected onto fcc (1 0 0) layers, which is believed to be applicable to first-row transition metal oxides such as VO, MnO and NiO, are obtained from mean field theory and Monte Carlo simulations. Within the regime, J_se > 0, which includes MnO and NiO, both approaches predict bicritical behaviour of the AF₂ and AF₃ antiferromagnetic spin alignments for odd numbers of layers greater than one and monocritical behaviour for even numbers of layers, even when films are described by single values of J_d and J_se. The ferromagnetic alignment, on the other hand, exhibits monocritical behaviour for all thicknesses from the monolayer through to the bulk. For values of (x = J_d/J_se) which are close to those obtained from first principles calculations for NiO and also those derived from measured magnon spectra, estimates of the thickness dependence of the critical temperature from Monte Carlo simulations are similar to that derived from linear polarised X-ray absorption spectra of NiO(1 0 0) ultra-thin films grown epitaxially on MgO(1 0 0) [D. Alders, L.H. Tjeng, F.C. Voogt, T. Hibma, G.A. Sawatzky, J. Vogel, M. Sacchi, S. Iacobucci, Phys. Rev. B 57 (1998) 11623].     

Self-consistent numerical study of pure and impurity doped three-band Hubbard model

The three-band Hubbard model — both pure and with static non-magnetic impurities — has been studied within a self-consistent numerical Hartree-Fock (HF) scheme. The system shows nesting properties only in the absence of direct O-O hopping. Spin excitations in the system are gapless with the existence of a Goldstone mode in the broken-symmetry state. The variation of spinwave velocity with Cu-site Coulomb repulsion shows a (1/(2U _d)+(1/Δ)) dependence in the strong-coupling limit. Each non-magnetic impurity in the system gives rise to two gap states for a particular spin and the local moment produced is robust even at finite concentration of mobile hole doping. The gapless Goldstone mode is preserved even in case of unequal concentration of impurities on the two sublattices.