Rounding effects of quenched randomness on first-order phase transitions

Frozen-in disorder in an otherwise homogeneous system, is modeled by interaction terms with random coefficients, given by independent random variables with a translation-invariant distribution. For such systems, it is proven that ind=2 dimensions there can be no first-order phase transition associated with discontinuities in the thermal average of a quantity coupled to the randomized parameter. Discontinuities which would amount to a continuous symmetry breaking, in systems which are (stochastically) invariant under the action of a continuous subgroup ofO(N), are suppressed by the randomness in dimensionsd4. Specific implications are found in the Random-Field Ising Model, for which we conclude that ind=2 dimensions at all (,h) the Gibbs state is unique for almost all field configurations, and in the Random-Bond Potts Model where the general phenomenon is manifested in the vanishing of the latent heat at the transition point. The results are explained by the argument of Imry and Ma [1]. The proofs involve the analysis of fluctuations of free energy differences, which are shown (using martingale techniques) to be Gaussian on the suitable scale.Dedicated to R. L. Dobrushin, on the occasion of his 60^th birthdayAlso in the Physics DepartmentResearch partially supported by NSF grants PHY-8896163 and PHY-8912067Work done in part at Rutgers University, Department of Mathematics     

Dynamical phase transitions in the two-dimensional ANNNI model

We study the phase diagram of the two-dimensional anisotropic next-nearest neighbor Ising (ANNNI) model by comparing the time evolution of two distinct spin configurations submitted to the same thermal noise. We clearly see several dynamical transitions between ferromagnetic, paramagnetic, antiphase, and floating phases. These dynamical transitions seem to occur rather close to the transition lines determined previously in the literature.     

The effect of particle size on first-order solid-solid phase transitions

A detailed equilibrium thermodynamic treatment of the first-order transition of a small solid article from one ordered phase to another is presented. This leads automatically to the conclusion that a change in phase transition temperature with particle size is to be expected, with the smaller the particle the bigger the change. Further consideration of the possible observation of such a change leads to the supposition that substantial superheating and supercooling of such phase transitions are likely to occur and should indeed be clearly observable.     

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     

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.     

Transient dynamical behavior and phase transitions in magnetic systems

It was recently suggested that transient dynamical properties were of some use to predict equilibrium critical properties of 2D and 3D models of statistical mechanics on the lattice. We investigate such dynamical properties for three related models with competitive interactions, namely the ANNNI model, the brickwork model, and the BNNNI model. In spite of known differences in their equilibrium phase diagrams, our simulations display similar transient dynamical behaviors for all three models. The reliability of this method for probing equilibrium properties seems therefore questionable even for rather simple magnetic models without any structural disorder.On leave from Centre de Physique Théorique, Ecole Polytechnique, 91128, Palaiseau Cedex, France.     

The effect of second neighbour repulsion on fcc binary alloy phase diagrams: A Monte Carlo study

We report the results of the Monte Carlo simulation of the phase diagram of fcc binary alloys using a 3-D Ising model with nearest and next-nearest neighbour repulsive interactions. Calculations are carried out for a ratio of second- to first-neighbour interaction energies of 0.4. The resulting phase diagram contains three superstructures A₂B₂, A₂B and A₅B, each separated by a disordered fcc phase. There was no evidence for the formation of an A₃B phase. These results are in qualitative agreement with CVM results.     

Employment, Production and Consumption model: Patterns of phase transitions

We have simulated the model of Employment, Production and Consumption (EPC) using Monte Carlo. The EPC model is an agent based model that mimics very basic rules of industrial economy. From the perspective of physics, the nature of the interactions in the EPC model represents multi-agent interactions where the relations among agents follow the key laws for circulation of capital and money. Monte Carlo simulations of the stochastic model reveal phase transition in the model economy. The two phases are the phase with full unemployment and the phase with nearly full employment. The economy switches between these two states suddenly as a reaction to a slight variation in the exogenous parameter, thus the system exhibits strong non-linear behavior as a response to the change of the exogenous parameters.     

The effect of three-body interactions on thermal desorption spectra

Thermal desorption spectra are calculated for a one-dimensional chain and for a two-dimensional square lattice using the transfer-matrix technique and Monte Carlo simulations. Lateral interactions of adsorbed particles cause a splitting of spectra. The repulsive three-body interactions are shown to lead to an inequality of the integral intensities of the thermal desorption peaks.     

Quantum phase transitions of spin chiral nanotubes

Recently many interesting magnetic nanostructures have been fabricated and much attention is arising on the rich magnetic properties that originate in the quantum effects eminent in the nanoscale world. One of the peculiar aspects of the quantum effects is the spin excitation gap. In the spin-1/2 low-dimensional systems, the spin gap often appears when the lattice dimerization or the frustration in the spin–spin interaction are introduced. In the present study, we investigate the ground-state property of the spin-1/2 antiferromagnetic spin chiral nanotubes with the spatial modulation in the spin–spin interaction. The ground-state phase diagrams of them are determined by observing the behavior of the expectation value of the Lieb–Schultz–Mattis slow-twist operator calculated by the quantum Monte Carlo method with the continuous-time loop algorithm. We discuss the relation between the characteristic of the topology of the phase diagram and the chiral vector of the nanotubes.     

Surface phase transitions of multiple-site associating fluids

Surface phase transitions of Lennard–Jones (LJ) based two- and four-site associating fluids have been studied for various associating strengths using grand-canonical transition matrix Monte Carlo simulations. Our results suggest that, in the case of a smooth surface, represented by a LJ 9-3-type potential, multiple-site associating fluids display a prewetting transition within a certain temperature range. However, the range of the prewetting transition decreases with increasing associating strength and increasing number of sites on the fluid molecules. With the addition of associating sites on the surface, a quasi-2D vapor–liquid transition may appear, which is observed at a higher surface site density for weaker associating fluids. The prewetting transition at lower associating strength is found to shift towards the quasi-2D vapor–liquid transition with increasing surface site density. However, for highly associating fluids, the prewetting transition is still intact, but shifts slightly towards the lower temperature range. Adsorption isotherms, chemical potentials and density profiles are used to characterize surface phase transitions.     

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].     

Absence of first-order phase transitions for antiferromagnetic systems

We consider a spin system with nearest-neighbor antiferromagnetic pair interactions in a two-dimensional lattice. We prove that the free energy of this system is differentiable with respect to the uniform external fieldh, for all temperatures and allh. This implies the absence of a first-order phase transition in this system.     

Phase transitions and universality in nonequilibrium steady states of stochastic Ising models

We present results of direct computer simulations and of Monte Carlo renormalization group (MCRG) studies of the nonequilibrium steady states of a spin system with competing dynamics and of the voter model. The MCRG method, previously used only for equilibrium systems, appears to give useful information also for these nonequilibrium systems. The critical exponents are found to be of Ising type for the competing dynamics model at its second-order phase transitions, and of mean-field type for the voter model (consistent with known results for the latter).     

Polymer mixtures in confined geometries: Model systems to explore phase transitions

While binary (A,B) symmetric polymer mixtures ind = 3 dimensions have an unmixing critical point that belongs to the 3d Ising universality class and crosses over to mean field behavior for very long chains, the critical behavior of mixtures confined into thin film geometry falls in the 2d Ising class irrespective of chain length. The critical temperature always scales linearly with chain length, except for strictly two-dimensional chains confined to a plane, for whichT _c ∝N ^5/8 (this unusual exponent describes the fractal contact line between segregated chains in dense melts in two spatial dimensions,d = 2). When the walls of the thin film are not neutral, but preferentially attract one species, complex phase diagrams occur due to the interplay between capillary condensation and wetting phenomena. For ‘competing walls’ (one wall prefers A, the other prefers B) particularly interesting interface localization-delocalization transitions occur, while analogous phenomena in wedges are related to the ‘filling transition’.     

基于Geant4的反应堆临界及动态计算方法

Geant4是一款基于C++面向对象技术的蒙特卡罗开发程序包,可以模拟各种已知粒子与物质之间的相互作用。然而该程序包没有提供临界源功能,无法直接用于反应堆物理计算。因此,利用Geant4提供的基础物理模型和粒子跟踪控制等功能,用两种不同方法实现了临界源的设置,实现了基于Geant4的反应堆静态计算程序G4-RSM和反应堆动态计算程序G4-RDM。两个程序均可用于反应堆临界计算,与MCNP计算结果相对误差在5%以内。G4-RDM程序除可用于临界计算外,还可用于模拟堆内事故工况下的中子学瞬态变化。     

Phase transitions of bilayer spin-1/2 Baxter-Wu model with repulsive interlayer interactions

Using a Monte Carlo simulation and the single histogram reweighting technique, we study the critical behaviors and phase transitions of the Baxter-Wu model on a two-layer triangular lattice with repulsive interlayer interactions. Via the finite-size analysis, we obtain the transition temperatures and critical exponents at different interlayer coupling strengths. The reduced energy cumulants and the histograms reveal pseudo-first-order phase transitions, and the critical exponents derivate from the standard Baxter-Wu model if the coupling is weak. As the increase of the coupling, the behavior of the pseudo-first order transition disappears and the critical exponents are in accordance with the ones known for the 2D 4-state Potts model.     

Dynamical properties of the Haldane chain with bond disorder

By using Lanczos exact diagonalization and quantum Monte Carlo combined with stochastic analytic continuation, we study the dynamical properties of the S = 1 antiferromagnetic Heisenberg chain with different strengths of bond disorder. In the weak disorder region, we find weakly coupled bonds which can induce additional low-energy excitation below the one-magnon mode. As the disorder increases, the average Haldane gap closes at δ_∆ ~ 0.5 with more and more low-energy excitations coming out. After the critical disorder strength δ_c ~ 1, the system reaches a random-singlet phase with prominent sharp peak at ω = 0 and broad continuum at ω > 0 of the dynamic spin structure factor. In addition, we analyze the distribution of random spin domains and numerically find three kinds of domains hosting effective spin-1/2 quanta or spin-1 sites in between. These “spins” can form the weakly coupled longrange singlets due to quantum fluctuation which contribute to the sharp peak at ω = 0.     

超薄膜磁性材料上XY模型的临界现象

采用经典XY模型，阐明了三角格子上层状超薄膜磁性材料的相变和临界现象.并用Monte-Carlo方法对该模型的内部能量、比热、chirality等热力学量进行了计算.使用finite-size scaling 分析法对临界现象的性质进行了论述.通过上述分析和计算，发现该模型在反强磁性层与强磁性层内的chirality在一定范围内随温度的变化急剧增加，这是一种新的chirality相变；而在另一范围内存在Kosterliz-Thouless相变和通常的chirality相变.这种新的chirality相变的 关键词： 层状XY模型 临界现象 Monte-Carlo模拟 磁性薄膜