JFNK方法在S N输运计算中的应用

JFNK(Jacobian-free Newton-Krylov)方法是一种求解非线性方程的高效迭代算法。传统输运计算中的负通量修正与k-特征值迭代使得原本线性的输运计算转变为非线性问题数值求解。为提高非线性输运问题的计算效率,将这两类非线性问题离散成残差形式的非线性方程组,并采用JFNK方法对其进行迭代求解。分析不同约束条件对JFNK方法性能的影响,并将其与NK(Newton-Krylov)方法进行对比。针对JFNK方法的内迭代过程,分析两类子空间方法(GMRES(m)与LGMRES)对整体计算效率的影响。数值结果表明：①相比于传统的幂迭代方法,JFNK方法具有更高的计算效率;②Jacobian矩阵向量积的差分近似对结果没有影响,且基于物理的约束条件比标准的数学约束更加高效;③LGMRES可以充分利用子空间的信息,从而使得JFNK方法整体表现更加高效。     

JFNK在高温堆扩散计算中的应用

研究了JFNK框架下高温堆中子扩散问题的求解方法。研究结果表明,JFNK方法在求解与源迭代相同形式中子扩散方程时,相对残差下降趋势为逐渐加快并趋于稳定,有利于更高求解精度的实现。使用通量归一化附加方程可以获得更好的JFNK非线性迭代特性,但在算例中其部分牛顿修正方程求解时间偏多,总计算时间高于显式有效增殖系数附加方程法,需要研究更高效的JFNK预处理方法对线性求解环节进行改善。     

基于节块展开法的Jacobian-Free Newton Krylov联立求解物理-热工耦合问题

目前反应堆物理热工耦合程序通常采用固定点迭代思路, 这可能导致部分工况收敛速度慢, 甚至出现不收敛的现象, 严重影响了计算效率. 基于此, 本文将高效的粗网节块展开法(NEM)与Jacobian-Free Newton-Krylov (JFNK)方法结合, 成功地开发出了一套新方法NEM_JFNK, 实现了联立求解物理热工耦合问题. 首先将NEM推广到热工问题的求解, 之后使用NEM来离散物理-热工耦合问题的所有控制方程, 使得所有变量都能在粗网格下进行离散, 从而大大减小求解问题的规模; 其次将NEM离散后的方程经过某些特殊的处理, 成功地嵌入JFNK的计算框架, 最终开发出了基于线性预处理的NEM_JFNK, 即LP_NEM_JFNK. 此外, 为了充分利用原有的迭代程序, 避免JFNK残差方程的重新建立, 本文还开发了无需重构残差方程的NEM_JFNK, 即NRC_NEM_JFNK, 并实现“黑箱”耦合. 文中以一维中子-热工模型为例, 给出LP_NEM_JFNK和NRC_NEM_JFNK数学模型, 并对计算结果进行分析. 结果表明:新方法无论是收敛速度还是计算效率都具有明显优势.     

预处理JFNK方法求解非平衡辐射扩散方程组

分别采用四种半隐式离散方法构造预处理.针对一维辐射扩散方程组,采用预处理的Jacobian-free Newton-Krylov(PJFNK)求解.数值结果表明预处理方法能够很好地改进JFNK方法的收敛行为.     

二维三温能量方程组的高效代数解法

针对二维三温能量方程九点格式离散后形成的非线性方程组,研制了高效求解的代数解法器.主要思想是在部分Newton-Krylov(PNK)方法和Jacobi矩阵自由的Newton-Krylov(JFNK)方法的框架下,结合非精确Newton类方法和预条件Krylov子空间方法进行高效求解.数值结果显示,PNK方法比非线性块Gauss-Seidel方法快6倍以上,在PNK框架下比较了3种预条件子和4种Krylov子空间方法,得出不同组合的最佳方案.还比较了JFNK方法和PNK方法.     

正则系综的变电荷分子动力学方法

在迭代变电荷方法的基础上加以改进得到适于正则系综的变电荷方法.利用正则系综的热浴方法补偿模拟过程中动能的衰减.分子动力学模拟的结果表明,改进的变电荷方法能够避免能量漂移问题,在相同的电荷精度条件下,所需的迭代次数减少,可提高计算效率.     

基于TV正则化和局部约束的遥感图像恢复

阐述了基于总变分理论和基于像元亮度局部约束的退化图像恢复算法,为利用二者的优点获得更好的恢复效果.把总变分方法和局部约束方法结合在一起,提出了一种新的混合恢复算法.对最小二乘问题进行总变分正则化约束,形成迭代公式,在迭代过程中对所获得的结果利用局部均值和局部方差进行局部约束.实验中对退化的遥感图像分别用总变分约束方法恢复和本文提出的方法进行恢复,结果表明,该方法具有良好的图像恢复能力,图像恢复效果有了明显的提高.     

核磁共振谱自动基线校正新方法

该文提出一种新的核磁共振谱自动基线校正方法,该方法基于迭代移动平均值算法,改进了峰区域的基线识别,然后使用迭代方法进行基线建模.为了改进峰区域的基线建模结果,该方法结合了两种基线校正方法的优点,在基线识别过程选择了一系列位于峰区域的"基线定位点",然后和除了峰区域以外的基线点一起参与基线建模.该基线校正方法适用于NMR谱,即使在基线严重非线性失真的情况下也能得到理想的基线校正结果.     

稀疏计算层析成像重构中迭代去噪方法的分析

研究了稀疏计算层析成像重构中的迭代去噪模型及其求解算法,理论推导及模拟实验验证了代数重构技术的抑噪能力.根据稀疏计算层析成像成像过程的噪音特征,提出了基于欧氏范数不等式约束和基于无穷范数不等式约束的去噪模型.提出了基于凸集投影方法求解去噪模型的算法,并给出了算法推导过程.结果表明:欧氏范数去噪模型优于无穷范数去噪模型,代数重构技术具有抑制噪音的作用.     

基于概率迭代的NDP反演方法

针对中子深度分析(NDP)技术,基于概率迭代思想,推导一种迭代反演方法,对其和线性正则化方法在NDP反演问题中的应用进行比较.未引入计数随机误差时,两者都能得到较好的反演结果,迭代法的结果是非负的,线性正则化方法在源强度发生阶跃处得到的结果更好.在考虑随机误差存在的情况下,迭代法的效果更佳.同时,研究了迭代矩阵对结果的影响,矩阵元的指数放大可以实现迭代过程的加速.     

Improving the numerical convergence of viscous-plastic sea ice models with the Jacobian-free Newton–Krylov method

We have implemented the Jacobian-free Newton–Krylov (JFNK) method to solve the sea ice momentum equation with a viscous-plastic (VP) formulation. The JFNK method has many advantages: the system matrix (the Jacobian) does not need to be formed and stored, the method is parallelizable and the convergence can be nearly quadratic in the vicinity of the solution. The convergence rate of our JFNK implementation is characterized by two phases: an initial phase with slow convergence and a fast phase for which the residual norm decreases significantly from one Newton iteration to the next. Because of this fast phase, the computational gain of the JFNK method over the standard solver used in existing VP models increases with the required drop in the residual norm (termination criterion). The JFNK method is between 3 and 6.6 times faster (depending on the spatial resolution and termination criterion) than the standard solver using a preconditioned generalized minimum residual method. Resolutions tested in this study are 80, 40, 20 and 10 km. For a large required drop in the residual norm, both JFNK and standard solvers sometimes do not converge. The failure rate for both solvers increases as the grid is refined but stays relatively small (less than 2.3% of failures). With increasing spatial resolution, the velocity gradients (sea ice deformations) get more and more important. Nonlinear solvers such as the JFNK method tend to have difficulties when there are such sharp structures in the solution. This lack of robustness of both solvers is however a debatable problem as it mostly occurs for large required drops in the residual norm. Furthermore, when it occurs, it usually affects only a few grid cells, i.e., the residual is small for all the velocity components except in very localized regions. Globalization approaches for the JFNK solver, such as the line search method, have not yet proven to be successful. Further investigation is needed.     

Implementation of the Jacobian-free Newton–Krylov method for solving the first-order ice sheet momentum balance

We have implemented the Jacobian-free Newton–Krylov (JFNK) method for solving the first-order ice sheet momentum equation in order to improve the numerical performance of the Glimmer-Community Ice Sheet Model (Glimmer-CISM), the land ice component of the Community Earth System Model (CESM). Our JFNK implementation is based on significant re-use of existing code. For example, our physics-based preconditioner uses the original Picard linear solver in Glimmer-CISM. For several test cases spanning a range of geometries and boundary conditions, our JFNK implementation is 1.8–3.6 times more efficient than the standard Picard solver in Glimmer-CISM. Importantly, this computational gain of JFNK over the Picard solver increases when refining the grid. Global convergence of the JFNK solver has been significantly improved by rescaling the equation for the basal boundary condition and through the use of an inexact Newton method. While a diverse set of test cases show that our JFNK implementation is usually robust, for some problems it may fail to converge with increasing resolution (as does the Picard solver). Globalization through parameter continuation did not remedy this problem and future work to improve robustness will explore a combination of Picard and JFNK and the use of homotopy methods.     

The energy conserving particle-in-cell method

A new particle-in-cell (PIC) method, that conserves energy exactly, is presented. The particle equations of motion and the Maxwell’s equations are differenced implicitly in time by the midpoint rule and solved concurrently by a Jacobian-free Newton Krylov (JFNK) solver. Several tests show that the finite grid instability is eliminated in energy conserving PIC simulations, and the method correctly describes the two-stream and Weibel instabilities, conserving exactly the total energy. The computational time of the energy conserving PIC method increases linearly with the number of particles, and it is rather insensitive to the number of grid points and time step. The kinetic enslavement technique can be effectively used to reduce the problem matrix size and the number of JFNK solver iterations.     

An implicit immersed boundary method for three-dimensional fluid–membrane interactions

We present an implicit immersed boundary method for the incompressible Navier–Stokes equations capable of handling three-dimensional membrane–fluid flow interactions. The goal of our approach is to greatly improve the time step by using the Jacobian-free Newton–Krylov method (JFNK) to advance the location of the elastic membrane implicitly. The most attractive feature of this Jacobian-free approach is Newton-like nonlinear convergence without the cost of forming and storing the true Jacobian. The Generalized Minimal Residual method (GMRES), which is a widely used Krylov-subspace iterative method, is used to update the search direction required for each Newton iteration. Each GMRES iteration only requires the action of the Jacobian in the form of matrix–vector products and therefore avoids the need of forming and storing the Jacobian matrix explicitly. Once the location of the boundary is obtained, the elastic forces acting at the discrete nodes of the membrane are computed using a finite element model. We then use the immersed boundary method to calculate the hydrodynamic effects and fluid–structure interaction effects such as membrane deformation. The present scheme has been validated by several examples including an oscillatory membrane initially placed in a still fluid, capsule membranes in shear flows and large deformation of red blood cells subjected to stretching force.     

Parallel Jacobian-free Newton Krylov solution of the discrete ordinates method with flux limiters for 3D radiative transfer

The present study introduces a parallel Jacobian-free Newton Krylov (JFNK) general minimal residual (GMRES) solution for the discretized radiative transfer equation (RTE) in 3D, absorbing, emitting and scattering media. For the angular and spatial discretization of the RTE, the discrete ordinates method (DOM) and the finite volume method (FVM) including flux limiters are employed, respectively. Instead of forming and storing a large Jacobian matrix, JFNK methods allow for large memory savings as the required Jacobian-vector products are rather approximated by semiexact and numerical formulations, for which convergence and computational times are presented. Parallelization of the GMRES solution is introduced in a combined memory-shared/memory-distributed formulation that takes advantage of the fact that only large vector arrays remain in the JFNK process. Results are presented for 3D test cases including a simple homogeneous, isotropic medium and a more complex non-homogeneous, non-isothermal, absorbing–emitting and anisotropic scattering medium with collimated intensities. Additionally, convergence and stability of Gram–Schmidt and Householder orthogonalizations for the Arnoldi process in the parallel GMRES algorithms are discussed and analyzed. Overall, the introduction of JFNK methods results in a parallel, yet scalable to the tested 2048 processors, and memory affordable solution to 3D radiative transfer problems without compromising the accuracy and convergence of a Newton-like solution.     

弧长法在斜直井内管柱非线性屈曲分析中的应用

对于斜直井内底部-段管柱的后屈曲问题,基于受径向约束管柱的微分求积(DQ,Differential Quadrature)单元,构建了弧长迭代法.给出详细的迭代步骤和迭代初值的确定方法,对不同端部侧向约束条件下的管柱非线性屈曲进行迭代计算.并与现有文献中的近似解析解、实验结果和纯载荷增量迭代法的数值计算结果进行比较.结果显示,本文方法克服了有限单元法在处理管柱自重时的困难,同时能自动调节增量步长,跟踪管柱非线性后屈曲平衡路径的全过程.计算效率高、收敛性好、易于实施,可以用来分析斜直井内管柱的非线性屈曲问题.