Chernoff approximations of Feller semigroups in Riemannian manifolds

Chernoff approximations of Feller semigroups and the associated diffusion processes in Riemannian manifolds are studied. The manifolds are assumed to be of bounded geometry, thus including all compact manifolds and also a wide range of non-compact manifolds. Sufficient conditions are established for a class of second order elliptic operators to generate a Feller semigroup on a (generally non-compact) manifold of bounded geometry. A construction of Chernoff approximations is presented for these Feller semigroups in terms of shift operators. This provides approximations of solutions to initial value problems for parabolic equations with variable coefficients on the manifold. It also yields weak convergence of a sequence of random walks on the manifolds to the diffusion processes associated with the elliptic generator. For parallelizable manifolds this result is applied in particular to the representation of Brownian motion on the manifolds as limits of the corresponding random walks.     

Doubly stochastic Yule cascades (Part I): The explosion problem in the time-reversible case

Motivated by the probabilistic methods for nonlinear differential equations introduced by McKean (1975) for the Kolmogorov-Petrovski-Piskunov (KPP) equation, and by Le Jan and Sznitman (1997) for the incompressible Navier-Stokes equations (NSE), we identify a new class of stochastic cascade models, referred to as doubly stochastic Yule cascades. We establish non-explosion criteria under the assumption that the randomization of Yule intensities from generation to generation is by an ergodic time-reversible Markov process. In addition to the cascade models that arise in the analysis of certain deterministic nonlinear differential equations, this model includes the multiplicative branching random walks, the branching Markov processes, and the stochastic generalizations of the percolation and/or cell ageing models introduced by Aldous and Shields (1988) and independently by Athreya (1985).     

弹簧摆动力学行为演示仪

在非线性保守系统中,弹簧摆结构简单,运动特性较为典型.本文通过拉格朗日方程对弹簧摆系统进行理论分析解得运动方程,并在径向和切向将运动分解,运用图像处理技术设计制作了弹簧摆演示仪和实验软件,对运动轨迹与时序图进行可视化.软件绘制的弹簧摆轨迹与理论结果具有较好的一致性.     

Spectral Properties of Effective Dynamics from Conditional Expectations

The reduction of high-dimensional systems to effective models on a smaller set of variables is an essential task in many areas of science. For stochastic dynamics governed by diffusion processes, a general procedure to find effective equations is the conditioning approach. In this paper, we are interested in the spectrum of the generator of the resulting effective dynamics, and how it compares to the spectrum of the full generator. We prove a new relative error bound in terms of the eigenfunction approximation error for reversible systems. We also present numerical examples indicating that, if Kramers–Moyal (KM) type approximations are used to compute the spectrum of the reduced generator, it seems largely insensitive to the time window used for the KM estimators. We analyze the implications of these observations for systems driven by underdamped Langevin dynamics, and show how meaningful effective dynamics can be defined in this setting.     

Telegraphic Transport Processes and Their Fractional Generalization: A Review and Some Extensions

We address the problem of telegraphic transport in several dimensions. We review the derivation of two and three dimensional telegrapher’s equations—as well as their fractional generalizations—from microscopic random walk models for transport (normal and anomalous). We also present new results on solutions of the higher dimensional fractional equations.     

一种求解三维热辐射输运方程的整体预处理迭代方法及并行计算

为三维灰体热辐射输运方程的隐式离散纵标方法发展一个整体预处理迭代方法并研制并行程序。该方法采用组装线性代数方程组策略,同时求出所有离散方向上的辐射强度。借助预处理的Krylov子空间迭代法,避免复杂网格上扫描算法可能遇到的死锁问题,能够提高健壮性和计算效率。空间离散上采用一阶迎风有限体积格式。数值实验测试变形六面体网格上的收敛率、评估预处理迭代方法的性能并计算辐射和物质的耦合问题,给出三维弯管和黑腔问题的模拟结果,验证程序的正确性和方法的适应性。     

时变偏微分方程的贝叶斯稀疏识别方法

在数据驱动的建模中,通过测量或模拟得到时空数据,我们发现基于拉普拉斯先验的贝叶斯稀疏识别方法能有效地恢复时变偏微分方程的稀疏系数。本文将贝叶斯稀疏识别方法运用于各种时变偏微分方程模型（KdV方程、Burgers方程、Kuramoto-Sivashinsky方程、反应-扩散方程、非线性薛定谔方程和纳维-斯托克斯方程）的方程系数恢复,将贝叶斯稀疏恢复结果与PDE-FIND稀疏恢复算法进行比较,证实贝叶斯稀疏识别方法对偏微分方程具有非常强的稀疏恢复能力。同时,研究中发现贝叶斯稀疏方法对噪声更敏感,可以识别更多的附加项。此外,贝叶斯方法可以直接得到稀疏恢复解的误差方差,由此可以直接判定稀疏恢复的效果和可靠性。     

两个4-[(8-羟基-5-喹啉)偶氮]苯磺酸配合物的合成、结构及性质研究

以4-[(8-羟基-5-喹啉)偶氮]苯磺酸(H₂L)为配体,采用溶剂热合成法合成了两个配合物[CuL(en)]·0.5H₂O (1)和[CuL₂][Cu(en)₂]·2H₂O (2)(en=乙二胺),并采用单晶X-射线衍射、红外光谱、元素分析、X-射线粉末衍射和热重分析对其进行表征。化合物1和2通过氢键和π…π相互作用连接形成了三维超分子网格。此外,还研究了两个化合物的荧光性质。     

二维流场、热结构松耦合模拟研究

本文针对轴对称型飞行器前缘部位,采用松耦合方法,开展了二维高超声速流固界面的热耦合计算。满足非稳态N-S方程的外部流场和内部非稳态热传导均采用商用软件FLUENT进行计算。通过对相同时刻,不同松耦合推进时间步长引起的壁面热流密度、壁面温度、表面传热系数的差异对比,得出了松耦合推进时间对以上参数的影响规律,这对有效实施松耦合方法进行高超声速飞行器模拟具有积极意义。     

A coupled-cluster approach to the relative strains in [1.1.1]propellane,its derivatives and hetero[1.1.1]propellanes

The molecule [1.1.1]propellane and its neutral boron, nitrogen, oxygen, sulphur, S–O, and SO₂ analogs as well as the methyl, hexafluoro, and tri-carbonyl substituted derivatives have been investigated by theoretical calculations at the coupled-cluster singles and doubles level with an augmented polarized double zeta basis set. The geometries were optimized and vibrational analysis was carried out for each species. The main objective of this study was to determine the relative strain in these systems, which in turn is a predictor of stability and reactivity providing valuable information about potentially viable synthetic targets. The systems with the least strain are the nitrogen, boron and the S–O analogs, whereas the SO₂ substituted molecule and the hexafluoride and tricarbonyl substituted analogs exhibited the largest amount of strain. Geometrical features are also investigated and it is demonstrated that non-bonded repulsive interactions contribute significantly to the strain in some of the systems since cage-like structures force relatively short non-bonded distances.