对声波和弹性波传播模拟的Hamilton系统方法

建立了离散化网格上的准粒子体系，引入此体系的Hamilton系统描述，用来模拟声波和弹性波的传播.介绍了准粒子间相互作用的九点模型并给出互作用系数.证明了Hamilton系统方法 和声波、弹性波方程的关系，并给出两个方法中所使用物理量的关系.使用辛算法对给定的 介质模型进行数值模拟. 关键词： Hamilton系统方法 九点互作用模型 声波方程 弹性波方程 辛算法     

具有三角自旋环的伊辛-海森伯链的热纠缠

研究了具有三角自旋环的伊辛-海森伯链在磁场作用下的热纠缠性质.分别讨论了三角自旋环中自旋1/2粒子间相互作用的三种情形,即XXX,XXZ和XY Z海森伯模型.利用转移矩阵方法,数值计算了具有三角自旋环的伊辛-海森伯链的配对纠缠度.计算结果表明,外加磁场强度和温度对系统处于上述三种海森伯模型的热纠缠性质均有重要影响.给出了系统在不同的海森伯模型下,纠缠消失对应的临界温度随磁场强度的变化图,由此可以得到系统存在配对纠缠的参数区域,同时发现在特定的参数区域存在纠缠恢复现象.因此适当调节温度和磁场强度,可以有效调控具有三角自旋环的伊辛-海森伯链热纠缠性质.     

基于Lagrange方法封闭的两相湍流场方程模型

两相湍流场方程模型采用基于Euler方法的一阶矩方程,而二阶矩方程由Lagrange方法得到,新模型的封闭不需要附加其它假设.首先基于概率密度函数给出颗粒运动的连续方程和动量方程,其次由基于平均Langevin方程的Lagrange模型推导得到颗粒二阶矩方程,最终获得封闭的二阶矩模型.将新模型用于气固两相壁面射流的数值模拟,结果表明新模型合理有效.     

Union Jack晶格上伊辛模型的自由费密近似解

运用自由费密近似对Union Jack晶格上具有各向异性二体耦合作用及三体相互作用的伊辛模型进行了求解,得到了模型的自由能、自发磁矩和临界点方程。在耦合常数简化为正方晶格上的伊辛模型时,得到了与Onsager一致的解。     

强制对流和自然对流作用下枝晶生长的数值模拟

建立了一个基于格子玻尔兹曼方法 （LBM） 的二维模型,对强制对流和自然对流作用下合金凝固过程中的枝晶生长行为进行了模拟研究. 与传统的基于求解Navier-Stokes方程计算流场的方法不同,本模型采用基于分子动理论的LBM对凝固过程中的传输现象进行数值计算. 用三组粒子分布函数分别建立了计算流场、由对流和扩散所控制的浓度场和温度场的LBM演化方程. 通过求解LBM演化方程获得固/液界面前沿的浓度和温度分布. 然后,基于溶质平衡方法计算了枝晶生长的驱动力. 为了对模型进行验证,将模拟在强制和自然对流作用下枝晶上游尖端的稳态生长特征分别与Oseen-Ivantsov 解析解和修正的Lipton-Glicksman-Kurz 模型预测结果进行了比较, 模拟结果和理论预测结果符合良好. 模拟结果还表明,对流使热量和溶质从上游传输到下游,从而加速了枝晶在上游方向的生长,而抑制了下游方向的生长,形成了非对称的枝晶形貌. 关键词： 微观组织模拟 枝晶生长 对流 格子玻尔兹曼方法     

应用于非线性热传导方程的格子玻尔兹曼方法

将格子玻尔兹曼方法应用于非线性热传导方程的求解,详细推导一种新的Lattice Boltzmann模型,并给出新方法所对应的多尺度方案和宏观量形式.导热系数与温度之间满足多项式函数关系,计算中模拟了不同的参数情况,并与线性热传导方程的理论解进行比较.新的Lattice Boltzmann方法展现出极大的灵活性和普适性,具有很好的应用前景.     

微槽道气体流动的统计模拟

利用基于分子模型的统计模拟方法——信息保存方法(IP)统计模拟了实验条件下微槽道气体流动,仔细讨论了用IP方法模拟长槽道稀薄气流时遇到的问题,并给出了解决的方法,即采取守恒形式的控制方程避免质量流量计算误差积累,并利用超松弛方法使收敛过程加速.将IP计算结果与压力分布和质量流量实验数据进行了比较.     

非平衡系统Master方程的稳定性

针对非平衡统计中出现的多元线性Master方程,利用“熵产生”和“剩余熵产生”的概念讨论了Master方程在线性平衡区和非线性远离平衡区的稳定性问题。从而得到与Prigo-gine宏观热力学理论中一致的结果。此外还提出了Master方程所决定的“概率流”的概念,给出了概率流分解的具体解析表达式。 关键词：     

二维伊辛模型相变临界点温度的模拟计算

用计算模拟方法计算了二维伊辛模型的相变临界点温度,其结果接近严格解,明显布喇格－威廉斯近似和贝特近似的结果。     

参数修改对铁电薄膜相变性质的影响

在关联有效场理论的框架内, 利用微分算子技术, 详细地计算了基于横场伊辛模型描述的对称铁电薄膜系统的相变性质. 根据薄膜各层自旋平均值构成的一系列耦合方程, 推导出可以用来计算任意层的具有不同表面层的薄膜相图的解析通式方程, 讨论了参数修改对薄膜相互作用参数从FPD (铁电相占主导地位的相图)到PPD (顺电相占主导地位的相图)过渡值和参数空间中各相变区域的影响. 在与平均场近似进行比较的结果显示, 关联有效场理论所得到的铁电薄膜的铁电性在某种程度上比平均场近似下的结果减弱. 关键词： 铁电薄膜 横场伊辛模型 相图 居里温度     

Space Dependent Mean Field Approximation Modelling

It is shown that the self-consistency condition which is the basic equation for calculating the mean-field order parameter of any mean-field model Hamiltonian can be replaced by the standard Metropolis Monte Carlo scheme. The advantage of this method is its ease of implementation for both the homogeneous mean-field order parameter and the heterogeneous one. To be specific, the mean-field version of the Ising model spin system is discussed in detail and the resulting magnetization is the same as in the case of solving the respective mean-field self-consistency equation. In addition, it is shown that if a high temperature phase of such system is quenched below critical temperature then the mean field experienced by spins develops into a network of domains in analogous way as it happens with the spins in the case of the exact many-body Hamiltonian system and the coarsening processes start to take place. To show that the introduced Metropolis Monte Carlo method works also in case of the continuous variables the order parameter for the Maier-Saupe model for nematic liquid crystals has been calculated.     

Properties of metastable ising models evolving under the Swendsen-Wang dynamics

The behavior of the metastable nearest neighbor Ising model governed by Swendsen-Wang dynamics (SW) is investigated ind=2. The results are compared to those obtained in standard Metropolis dynamics. Both the SW and Metropolis systems are observed to decay from the metastable state via the formation of nucleating droplets. Nucleation rates are measured and found to agree with those predicted by classical nucleation theory. The growth rates of the droplets are observed to differ between the two dynamics. In addition, the dynamic critical exponentz is measured in a mean-field (Curie-Weiss) metastable Ising model at the spinodal. It is found that for SW dynamics,z=2. Since this is the same value as that obtained in the Metropolis case, this result shows that SW does not change the dynamical universality class at the spinodal.     

Broad histogram Monte Carlo

We propose a new Monte Carlo technique in which the degeneracy of energy states is obtained with a Markovian process analogous to that of Metropolis used currently in canonical simulations. The obtained histograms are much broader than those of the canonical histogram technique studied by Ferrenberg and Swendsen. Thus we can reliably reconstruct thermodynamic functions over a much larger temperature scale also away from the critical point. We show for the two-dimensional Ising model how our new method reproduces exact results more accurately and using less computer time than the conventional histogram method. We also show data in three dimensions for the Ising ferromagnet and the Edwards Anderson spin glass. Received: 8 August 1997 / Revised: 11 August 1997 / Accepted: 30 October 1997     

Fully parallel code for Monte Carlo simulation

We present a fully parallel version of Monte Carlo simulation of the Ising model using the Metropolis algorithm. In the 3-dimensional version the performance can be enhanced by a factor >20 in 16-bit word processors relative to other multispin codes. This factor could be further increased if implemented in 64-bit word computers.     

Critical Relaxation of a Three-Dimensional Fully Frustrated Ising Model

Critical relaxation from the low-temperature ordered state of the three-dimensional fully frustrated Ising model on a simple cubic lattice is studied by the short-time dynamics method. Cubic systems with periodic boundary conditions and linear sizes of L = 32, 64, 96, and 128 in each crystallographic direction are studied. Calculations were carried out by the Monte Carlo method using the standard Metropolis algorithm. The static critical exponents for the magnetization and correlation radius and the dynamic critical exponents are calculated.     

Monte Carlo Transition Dynamics and Variance Reduction

For Metropolis Monte Carlo simulations in statistical physics, efficient, easy- to-implement, and unbiased statistical estimators of thermodynamic properties are based on the transition dynamics. Using an Ising model example, we demonstrate (problem-specific) variance reductions compared to conventional histogram estimators. A proof of variance reduction in a microstate limit is presented.     

蜂窝状格子带有晶场作用的铁磁Ising混合自旋S=1和S=1/2的相图的Monte-Carlo研究

利用具有翻转单个自旋的Metropolis-Monte-Carlo算法,研究蜂窝状格子带有晶场作用的铁磁Ising混合自旋S=1和S=1/2的相图,所得相图与严格解相接近,好于关联有效场方法得出的结果。因此Metropolis-Monte-Carlo算法同样也可以用于研究混合自旋模型。     

A fast algorithm for the Cyber 205 to simulate the 3D Ising model

We describe a computer program that performs the Metropolis algorithm for the 3D Ising model at a peak speed of 98 million spin updates per second on a 2-pipe CDC Cyber 205. This speed is achieved using the special vector capabilities of the Cyber 205 and multispin coding techniques.     

A Markov-property Monte Carlo method: One-dimensional Ising model

In this paper we introduce a new Monte Carlo procedure based on the Markov property. This procedure is particularly well suited to massively parallel computation. We illustrate the method on the critical phenomena of the well known one-dimensional Ising model. In the course of this work we found that the autocorrelation time for the Metropolis Monte Carlo algorithm is closely given by the square of the correlation length. We find speedup factors of the order of 1 million for the method as implemented on the CM2 relative to a serial machine. Our procedure gives error estimates which are quite consistent with the observed deviations from the analytically known exact results.     

Short-Time Dynamics of the Three-Dimensional Ising Model with Competing Interactions

The critical relaxation from the low-temperature ordered state of the three-dimensional Ising model with competing interactions on a simple cubic lattice has been studied for the first time using the short-time dynamics method. Competition between exchange interactions is due to the ferromagnetic interaction between the nearest neighbors and the antiferromagnetic interaction between the next nearest neighbors. Particles containing 262144 spins with periodic boundary conditions have been studied. Calculations have been performed by the standard Metropolis Monte Carlo algorithm. The static critical exponents of the magnetization and correlation radius have been calculated. The dynamic critical exponent of the model under study has been calculated for the first time.