Domain growth and finite-size-scaling in the kinetic Ising model

This paper describes the application of finite-size scaling concepts to domain growth in systems with a non-conserved order parameter. A finite-size-scaling ansatz for the time-dependent order parameter distribution function is proposed, and tested with extensive Monte-Carlo simulations of domain growth in the 2-D spin-flip kinetic Ising model. The scaling properties of the distribution functions serve to elucidate the configurational self-similarity that underlies the dynamic scaling picture. Moreover, it is demonstrated that the application of finite-size-scaling techniques facilitates the accurate determination of the bulk growth exponent even in the presence of strong finite-size effects, the scale and character of which are graphically exposed by the order parameter distribution function. In addition it is found that one commonly used measure of domain size-the scaled second moment of the magnetisation distribution-belies the full extent of these finite-size effects.     

Irreducible finite-size effects in the surface free energy of NaCl crystals from crystal-nucleation data

In this Letter we report a simulation study in which we compare the solid-liquid interfacial free energy of NaCl at coexistence, gamma_{LS}, with the value that follows from the height of the homogeneous nucleation barrier. The two estimates differ by more than 100%. Smaller discrepancies are found for gamma_{LS} of hard-sphere and of Lennard-Jones particles. We consider a variety of possible causes for this discrepancy and conclude that it is due to a finite-size effect that cannot be corrected for by any simple thermodynamic procedure. By taking into account the finite-size effects of gamma_{LS} obtained in real nucleation experiments, we obtain quantitative agreement between gamma_{LS} estimated in the simulations and derived from the experiments. Our finding suggests that most published solid-liquid surface free energies derived from nucleation experiments will have to be revised.     

Intrinsic finite-size effects in the two-dimensional XY model with irrational frustration

This study investigates in detail the finite-size scaling of the two-dimensional irrationally frustrated XY model. By means of Monte Carlo simulations with entropic sampling, we examine the size dependence of the specific heat, and find remarkable deviation from the conventional finite-size scaling theory, which reveals novel intrinsic finite-size effects. Relaxation dynamics of the system is also considered, and, correspondingly, finite-size scaling of the relaxation time is examined, again giving evidence for the intrinsic finite-size effects and suggesting a zero-temperature glass transition.     

枝晶生长和气泡形成的数值模拟

本文建立了二维的格子玻尔兹曼方法-元胞自动机(lattice Boltzmann method-cellular automaton, LBM-CA)耦合模型, 对凝固过程中枝晶生长和气泡形成进行模拟研究. 本模型采用CA方法模拟枝晶的生长, 根据界面溶质平衡法计算枝晶生长的驱动力. 采用基于Shan-Chen多相流的LBM模拟气泡在液相中的生长和运动. 在LBM-CA的耦合模型中包含了固-液-气三相之间的相互作用. 应用Laplace定理和模拟气-液-固三相之间的润湿现象对模型进行了验证. 应用所建立的LBM-CA耦合模型模拟研究了气-液相互作用系数对单气泡生长的影响. 发现单气泡的生长速度和平衡半径随气-液相互作用系数的增大而增大. 定向凝固过程中枝晶和气泡生长的模拟结果再现了枝晶的择优生长、 气泡的优先形核位置、气泡的长大、合并、在枝晶间受挤变形以及在液相通道中的运动等物理现象, 与实验结果符合良好. 此外, 初始气体含量越高, 凝固结束时气泡的体积分数也相对较高. 本模型的模拟结果可以揭示在凝固过程中气泡形核、 生长和运动演化以及与枝晶生长相互作用的物理机理.     

Finite-size scaling behavior in the <Emphasis Type="Italic">O</Emphasis>(4) model

The exact nature of the QCD phase transition has still not been determined conclusively, and there are contradictory results from lattice QCD simulations about the scaling behavior for two quark flavors. Ultimately, this issue can be resolved only by a careful scaling and finite-size scaling analysis of the lattice results. We use a renormalization group approach to obtain finite-size scaling functions for the O(4) model, which are relevant for this analysis. Our results are applicable to lattice QCD studies of the QCD phase boundary.     

Quantum critical dynamics simulation of dirty boson systems

Recently, the scaling result z=d for the dynamic critical exponent at the Bose glass to superfluid quantum phase transition has been questioned both on theoretical and numerical grounds. This motivates a careful evaluation of the critical exponents in order to determine the actual value of z. We study a model of quantum bosons at T=0 with disorder in 2D using highly effective worm Monte?Carlo simulations. Our data analysis is based on a finite-size scaling approach to determine the scaling of the quantum correlation time from simulation data for boson world lines. The resulting critical exponents are z=1.8±0.05, ν=1.15±0.03, and η=-0.3±0.1, hence suggesting that z=2 is not satisfied.     

Interfacial adsorption phenomena at a weakly first-order phase transition

We study the interfacial adsorption phenomena of the ferromagnetic five-state Potts model on the square lattice, whose transition is of weakly first-order, by using Monte Carlo simulations and finite-size scaling theory. It is shown that the net-adsorption has a finite-size effect according to the first-order phase transition even for systems much smaller than the bulk correlation length.     

Finite-size scaling for near-critical continuum fluids at constant pressure

We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle number. To test the proposed scaling form, constant pressure simulations of the Lennard-Jones fluid at its liquid-vapour critical point are performed. The critical scaling operator distributions are obtained and their scaling with particle number is found to be consistent with the proposed behaviour. The forms of these scaling distributions are shown to be identical to their Ising model counterparts. The relative merits of employing the constant-NpT and grand canonical (constant-μVT) ensembles for simulations of fluid critically are also discussed.     

Evidence for an unconventional universality class from a two-dimensional dimerized quantum heisenberg model

The two-dimensional J-J' dimerized quantum Heisenberg model is studied on the square lattice by means of (stochastic series expansion) quantum Monte Carlo simulations as a function of the coupling ratio alpha=J'/J. The critical point of the order-disorder quantum phase transition in the J-J' model is determined as alpha_c=2.5196(2) by finite-size scaling for up to approximately 10 000 quantum spins. By comparing six dimerized models we show, contrary to the current belief, that the critical exponents of the J-J' model are not in agreement with the three-dimensional classical Heisenberg universality class. This lends support to the notion of nontrivial critical excitations at the quantum critical point.     

Finite-size effects on nucleation in a first-order phase transition

We discuss finite-size effects on homogeneous nucleation in first-order phase transitions. We study their implications for cosmological phase transitions and to the hadronization of a quark–gluon plasma generated in high-energy heavy ion collisions. Very general arguments allow us to show that the finite size of the early universe has virtually no relevance in the process of nucleation and in the growth of cosmological bubbles during the primordial quark–hadron and the electroweak phase transitions. In the case of high-energy heavy ion collisions, finite-size effects play an important role in the late-stage growth of hadronic bubbles.     

EFFECTS OF ISLAND-EDGE EXCHANGE BARRIER ON 2D PATTERN FORMATION IN SURFACTANT-MEDIATED EPITAXY

The nucleation and growth of two-dimensional islands in a surfactant-mediated epitaxy system have been studied by computer simulation. To improve the recent results published in the literature, we use a configuration-dependent energy barrier for the exchange process at the island edge in our model. The simulations produce fractal islands at high temperatures or low deposition fluxes, and a transition to regular compact islands occurs at lower temperatures or higher fluxes, in good agreement with the recent experimental results. The barrier for the island-edge exchange has quite a strong effect on the island density as a function of temperature and flux. A small change of the island-edge exchange barrier induces a large variation of the island density in the low-temperature or high-flux region. The flux-dependent island density shows a clear scaling-law behaviour in the intermediate-flux region. The scaling exponent increases evidently as the island-edge exchange barrier increases.     

Efficient method of finding scaling exponents from finite-size Monte-Carlo simulations

Monte-Carlo simulations are routinely used for estimating the scaling exponents of complex systems. However, due to finite-size effects, determining the exponent values is often difficult and not reliable. Here, we present a novel technique of dealing with the problem of finite-size scaling. This new method allows not only to decrease the uncertainties of the scaling exponents, but makes it also possible to determine the exponents of the asymptotic corrections to the scaling laws. The efficiency of the technique is demonstrated by finding the scaling exponent of uncorrelated percolation cluster hulls.     

Roughness scaling and sensitivity to initial conditions in a symmetric restricted ballistic deposition model

In this work, we introduce a restricted ballistic deposition model with symmetric growth rules that favors the formation of local finite slopes. It is the simplest model which, even without including a diffusive relaxation mode of the interface, leads to a macroscopic groove instability. By employing a finite-size scaling of numerical simulation data, we determine the scaling behavior of the surface structure grown over a one-dimensional substrate of linear size L. We found that the surface profile develops a macroscopic groove with the asymptotic surface width scaling as , with . The early-time dynamics is governed by the scaling law , with . We further investigate the sensitivity to initial conditions of the present model by applying damage spreading techniques. We find that the early-time distance between two initially close surface configurations grows in a ballistic fashion as , but a slower Brownian-like scaling () sets up for evolution times much larger than a characteristic time scale . Received 26 May 2000     

Scaling of submonolayer island growth with reversible adatom exchange in surfactant-mediated epitaxy

Surfactant-mediated epitaxial growth is studied with a realistic model, which includes three main kinetic processes: diffusion of adatoms on the surfactant terrace, exchange of adatoms with their underneath surfactant atoms, and reexchange in which an exchanged adatom resurfaces to the top of the surfactant layer. The scaling behavior of nucleus density and island size distributions in the initial stage of growth is investigated by using kinetic Monte Carlo simulations. The results show that the temperature dependence of nucleus density and island size distributions governed by the reexchanging-controlled nucleation at high temperatures exhibits similar scaling behavior to that obtained by the standard diffusion-mediated nucleation at low temperatures. However, at intermediate temperatures, the exchanging-controlled nucleation leads to an increase of nucleus density with temperature, while the island size distribution scales to a monotonically decreasing function, showing nonstandard scaling behavior.     

Nucleation and bulk crystallization in binary phase field theory

We present a phase field theory for binary crystal nucleation. In the one-component limit, quantitative agreement is achieved with computer simulations (Lennard-Jones system) and experiments (ice-water system) using model parameters evaluated from the free energy and thickness of the interface. The critical undercoolings predicted for Cu-Ni alloys accord with the measurements, and indicate homogeneous nucleation. The Kolmogorov exponents deduced for dendritic solidification and for "soft impingement" of particles via diffusion fields are consistent with experiment.     

Phase coexistence and critical point determination in polydisperse fluids

Phase equilibria of fluids with variable size polydispersity have been investigated by means of Monte Carlo simulations. In the models, spherical particles of different additive diameters interact through Lennard-Jones and hard sphere Yukawa intermolecular potentials and the underlying distribution of particle sizes is a Gaussian. The Gibbs ensemble Monte Carlo technique has been applied to determine the phase coexistence far below the critical temperature. Critical points have been estimated by finite-size scaling analysis using histogram reweighting for NpT simulation data. In order to achieve efficient sampling in the vicinity of the critical points, the hyper-parallel tempering scheme has been utilized.     

The phase diagram of the Flory-Huggins-de Gennes model of a binary polymer blend

We undertake a numerical study of the Flory-Huggins-de Gennes functional ind=3 dimensions describing a polymer blend. By discretising the functional on a three-dimensional lattice and employing the hybrid Monte Carlo simulation algorithm, we investigate to what extent the inclusion of the term describing fluctuations in local polymer concentration alters the phase diagram of the model. We find that, despite the relatively small weight of the fluctuation term, the coexistence curve is shifted by an appreciable amount from that predicted by naive mean-field theory, which ignores such spatial fluctuations. The direction of the shift is consistent with that already observed in experiment and in simulations of microscopic models of polymer blends. A finite-size scaling analysis indicates that the critical behavior of the model seems to belong to the 3D Ising universality class rather than being mean-field in nature.It is a pleasure to dedicate this paper to Oliver Penrose on the occasion of his 65th birthday.     

Anomalous Scaling Behaviors in a Rice-Pile Model with Two Different Driving Mechanisms

The moment analysis is applied to perform large scale simulations of the rice-pile model. We find that this model shows different scaling behavior depending on the driving mechanism used. With the noisy driving, the rice-pile model violates the finite-size scaling hypothesis, whereas, with fixed driving, it shows well defined avalanche exponents and displays good finite size scaling behavior for the avalanche size and time duration distributions.     

Anomalous Scaling Behaviors in a Rice-Pile Model with Two Different Driving Mechanisms

The moment analysis is applied to perform large scale simulations of the rice-pile model. We find that this model shows different scaling behavior depending on the driving mechanism used. With the noisy driving, the rice-pile model violates the finite-size scaling hypothesis, whereas, with fixed driving, it shows well defined avalanche exponents and displays good finite size scaling behavior for the avalanche size and time duration distributions.     

Numerical study of anomalous dynamic scaling behaviour of (1+1)-dimensional Das Sarma-Tamborenea model

In order to discuss the finite-size effect and the anomalous dynamic scaling behaviour of Das Sarma-Tamborenea growth model,the (1+1)-dimensional Das Sarma-Tamborenea model is simulated on a large length scale by using the kinetic Monte-Carlo method.In the simulation,noise reduction technique is used in order to eliminate the crossover effect.Our results show that due to the existence of the finite-size effect,the effective global roughness exponent of the (1+1)-dimensional Das Sarma-Tamborenea model systematically decreases with system size L increasing when L > 256.This finding proves the conjecture by Aarao Reis[Aarao Reis F D A 2004 Phys.Rev.E 70 031607].In addition,our simulation results also show that the Das Sarma-Tamborenea model in 1+1 dimensions indeed exhibits intrinsic anomalous scaling behaviour.