Affine particle-in-cell method for two-phase liquid simulation

Background The interaction of gas and liquid can produce many interesting phenomena,such as bubbles rising from the bottom of the liquid.The simulation of two-phase fluids is a challenging topic in computer graphics.To animate the interaction of a gas and liquid,MultiFLIP samples the two types of particles,and a Euler grid is used to track the interface of the liquid and gas.However,MultiFLIP uses the fluid implicit particle(FLIP)method to interpolate the velocities of particles into the Euler grid,which suffer from additional noise and instability.Methods To solve the problem caused by fluid implicit particles(FLIP),we present a novel velocity transport technique for two individual particles based on the affine particle-in-cell(APIC)method.First,we design a weighed coupling method for interpolating the velocities of liquid and gas particles to the Euler grid such that we can apply the APIC method to the simulation of a two-phase fluid.Second,we introduce a narrowband method to our system because MultiFLIP is a time-consuming approach owing to the large number of particles.Results Experiments show that our method is well integrated with the APIC method and provides a visually credible two-phase fluid animation.Conclusions The proposed method can successfully handle the simulation of a two phase fluid.

Implementation of a particle-in-cell method for the energy solver in 3D spherical geodynamic modeling

The thermal evolution of the Earth’s interior and its dynamic effects are the focus of Earth sciences.However,the commonly adopted grid-based temperature solver is usually prone to numerical oscillations,especially in the presence of sharp thermal gradients,such as when modeling subducting slabs and rising plumes.This phenomenon prohibits the correct representation of thermal evolution and may cause incorrect implications of geodynamic processes.After examining several approaches for removing these numerical oscillations,we show that the Lagrangian method provides an ideal way to solve this problem.In this study,we propose a particle-in-cell method as a strategy for improving the solution to the energy equation and demonstrate its effectiveness in both one-dimensional and three-dimensional thermal problems,as well as in a global spherical simulation with data assimilation.We have implemented this method in the open-source finite-element code CitcomS,which features a spherical coordinate system,distributed memory parallel computing,and data assimilation algorithms.

3D Model Retrieval Method Based on Affinity Propagation Clustering

In order to improve the accuracy and efficiency of 3D model retrieval,the method based on affinity propagation clustering algorithm is proposed. Firstly,projection ray-based method is proposed to improve the feature extraction efficiency of 3D models. Based on the relationship between model and its projection,the intersection in 3D space is transformed into intersection in 2D space,which reduces the number of intersection and improves the efficiency of the extraction algorithm. In feature extraction,multi-layer spheres method is analyzed. The two-layer spheres method makes the feature vector more accurate and improves retrieval precision. Secondly,Semi-supervised Affinity Propagation ( S-AP) clustering is utilized because it can be applied to different cluster structures. The S-AP algorithm is adopted to find the center models and then the center model collection is built. During retrieval process,the collection is utilized to classify the query model into corresponding model base and then the most similar model is retrieved in the model base. Finally,75 sample models from Princeton library are selected to do the experiment and then 36 models are used for retrieval test. The results validate that the proposed method outperforms the original method and the retrieval precision and recall ratios are improved effectively.

An Improved Affine-Scaling Interior Point Algorithm for Linear Programming

In this paper, an Improved Affine-Scaling Interior Point Algorithm for Linear Programming has been proposed. Computational results of selected practical problems affirming the proposed algorithm have been provided. The proposed algorithm is accurate, faster and therefore reduces the number of iterations required to obtain an optimal solution of a given Linear Programming problem as compared to the already existing Affine-Scaling Interior Point Algorithm. The algorithm can be very useful for development of faster software packages for solving linear programming problems using the interior-point methods.

Self-Affine Fractals and the Fractal Dimension of Fractured Rock Profiles

The measured profiles of laboratory fractured rocks should be self-affine fractal.The scaling properties of these profiles are described by two parameters-the fractal dimension D and the crossover length tc The D values of eight profiles are calculated by the ruler method and by the standard deviation method respectively.It is shown that if tc is far greater than the sampling step tc two methods yield the same results,although if it is far smaller than r,the D by the standard method will be about 1.20,while D by the ruler method will very close to 1.0,because two fractal dimensions,local and global,exist on two sides of tc In order to obtain the local fractal dimension which may be close to that of the standard deviation method,the ruler method must be modified.We propose a way to estimate the tc and to modify the ruler method.Finally,a profile having given D is generated in terms of the principle of non-integer order differential,through which the above two methods are verified and lead to the same

Accurate calculation of electron affinity for S_3

The accurate equilibrium structures of S_3 and S_3^- are determined by the coupled-cluster method with single, double excitation and perturbative triple excitation(CCSD(T)) with basis sets of aug-cc-pV(n+d)Z(n = T, Q, 5, or 6), complete basis set extrapolation functions with two-parameters and three-parameters, together with considering the contributions due to the core-valence electron correlation, scalar relativistic effects, spin–orbit coupling, and zero-point vibrational corrections. Our calculations show that both the neutral S_3 and anion S_3^- have open forms with C_(2r) vsymmetry. On the basis of the stable geometries, the adiabatic electron affinity of S_3 is determined to be 19041(11) cm^(-1), which is in excellent agreement with the experimental data(19059(7) cm^(-1)). The dependence of geometries and electron affinity on the computation level and physical corrections is discussed. The present computational results are helpful to the experimental molecular spectroscopy and bonding of S_3.

Combined indirect and direct method for adaptive fuzzy output feedback control of nonlinear system

A novel control method for a general class of nonlinear systems using fuzzy logic systems （FLSs） is presertted. Indirect and direct methods are combined to design the adaptive fuzzy output feedback controller and a high-gain observer is used to estimate the derivatives of the system output. The closed-loop system is proven to be semiglobally uniformly ultimately bounded. In addition, it is shown that if the approximation accuracy of the fuzzy logic system is high enough and the observer gain is chosen sufficiently large, an arbitrarily small tracking error can be achieved. Simulation results verify the effectiveness of the newly designed scheme and the theoretical discussion.

A relativistic canonical symplectic particlein-cell method for energetic plasma analysis

A relativistic canonical symplectic particle-in-cell(RCSPIC)method for simulating energetic plasma processes is established.By use of the Hamiltonian for the relativistic Vlasov-Maxwell system,we obtain a discrete relativistic canonical Hamiltonian dynamical system,based on which the RCSPIC method is constructed by applying the symplectic temporal discrete method.Through a 106-step numerical test,the RCSPIC method is proven to possess long-term energy stability.The ability to calculate energetic plasma processes is shown by simulations of the reflection processes of a high-energy laser(1?×?1020 W cm-2)on the plasma edge.

About the Reliability of Particle in Cell Methods and the Notion of a“Local”Temperature of Ionized Species Around a Spacecraft in the Ionosphere

The development of space science has generated important computer codes for the simulation of the interaction between complex space structures(artificial satellites,solar panels,etc.)and the surrounding plasma.The basic equation to be solved is the Poisson equation for the electric potential around a structure.Here,we try to study analytically the shadowing effect of a spacecraft on an electrode for the electron number density and the electron temperature.We suggest that the electron temperature should be taken as a variable and not as a parameter.However,its computation involves the knowledge of the histogram of the distribution of the frequencies of the electron velocities inside the computational cells.Also,we have illustrated the possibilities of artefacts due to the design and geometry of scientific instruments for the measurement of the electron number density and the electron temperature in the ionosphere.We suggest an optimal design for an electrode and its guard ring.

核酸适配体筛选中单链DNA制备方法的研究进展

核酸适配体是人工合成的短链核酸,作为分子识别元件,能够与各类靶标物质高特异性、高亲和力的结合,分为单链DNA和RNA两种类型。其中单链DNA适配体由于其稳定性比RNA适配体更好而更受欢迎,因此得到广泛应用。核酸适配体筛选通常是通过配体指数富集系统进化技术(systematic evolution of ligands by exponential enrichment,SELEX)实现的,筛选能否成功在很大程度上取决于其最关键的单链制备步骤,即将双链DNA转化为相应的单链DNA。目前,存在许多方法可以制备单链DNA,包括热变性法、生物素-链霉亲和素亲和分离法、变性胶电泳分离法、核酸外切酶消化法、不对称聚合酶链式反应(polymerase chain reaction,PCR)法等。本文在总结文献报道的基础上,具体阐述了各种单链DNA制备方法的原理、优缺点及近5年的应用情况,并对这些单链DNA制备方法进行了比较和展望,以期能为成功筛选各类靶标的核酸适配体提供参考。

基于点估计仿射可调鲁棒优化的含储能电力系统实时调度

为应对大规模风电的接入,建立一种机组与储能联合参与自动发电控制的电力系统实时调度模型,并提出一种点估计仿射可调鲁棒优化来处理风电不确定性。不同于传统仿射可调鲁棒调度优化基准运行成本,点估计仿射可调鲁棒调度优化期望运行成本以提高系统经济性。提出利用确定性的点估计法来实现对期望运行成本的快速、精确评估。所提模型为一混合整数双线性约束问题,采用一种“预估-矫正”的凸化方法来求解该难题,预估阶段对储能的状态变量进行松弛,而矫正阶段直接对其状态变量进行矫正。最后,引入一种凸函数差优化进一步凸化2个阶段的双线性约束问题,以提高含储能实时调度的求解质量。在IEEE39、118以及300节点3个系统的仿真验证了所提模型及方法的有效性。

含碳三原子分子结构与电子亲和能的计算

本文分别采用单、双和微扰处理三激发耦合簇方法与自旋非限制的开壳层耦合簇方法对CO_(2),OCS,CS_(2)及其对应阴离子CO_(2)^(-),OCS^(-),CS_(2)^(-)进行高精度的从头算研究.我们计算了这些分子在一系列相关一致基组aug-cc-pV(X+d)Z (X=T,Q,5)以及完全基组极限下的基态平衡几何结构,并研究了芯-价电子相关与标量相对论效应的影响,计算结果与已有文献报道结果吻合较好.基于计算的几何结构,获得了中性分子CO_(2),OCS,CS_(2)的绝热电子亲和能,系统考察了不同基组以及零点能修正对这些分子电子亲和能的影响,给出了考虑各种修正下3种分子准确的电子亲和能.本文将丰富含碳三原子分子的光谱常数和电子亲和能等分子参数的信息,可为实验光谱研究提供重要参考.

基于离散元的颗粒材料中应变局部化形成与演化研究

岩土颗粒材料的应变局部化失效问题广泛存在于工程设计应用中,主要表现为介观尺度上的应变局部化现象和宏观尺度上的剪切带产生,目前在微观尺度上的形成机理尚不明确。为了系统研究颗粒集合体的应变局部化的形成与演化过程,通过使用离散单元法(Discrete Element Method,DEM)模拟了指定平面应变加载路径的真三轴试验,获取了宏观和微观尺度上的颗粒材料几何、运动以及力学信息。为了找出表征应变局部化特性的最佳特征量,比较了颗粒温度、波动位移和局部剪胀角等微观指标,发现波动位移在表征应变局部化方面与其他参数相比相关性更好,并选定其作为应变局部化表征变量。为了量化颗粒集合体从应变局部化开始产生到发育完成的具体应变区间,采用莫兰指数对波动位移的空间分布特征进行统计和分析,确定了颗粒集合体在弹塑性转换阶段的发育区间。进一步对颗粒集合体应变局部化发育区间内的波动位移空间分布进行探究,并统计不同空间区域内波动位移的概率密度函数,发现研究区域外部的局部塑性在过渡阶段停止演化,而内部塑性以逾渗模式发展。最终,通过波动位移的空间分布进行聚类分析,获得了描述介观尺度上应变局部化的团簇体模型。该模型可以将颗粒集合体宏观剪切带的形成与发育和单个颗粒的微观塑性发展相联系,刻画颗粒集合体从介观尺度上的应变局部化出现到宏观尺度上剪切带完全形成的演化过程。

电-气互联系统仿射能流交替递归计算方法

在源荷不确定性日益显著的背景下,不确定性能流计算对电-气互联系统能源优化调度具有重要意义。针对天然气网络仿射能流算法面临的仿射数矩阵求逆运算复杂、难以适用环网等问题,该文提出一种天然气网络全纯嵌入仿射能流方法。在此基础上,根据耦合设备处的能量流动对电、气子系统能流方程进行重构,构建全纯嵌入的电-气仿射多能流模型。为降低多能流计算的初值依赖性、提升多能流计算效率,提出一种仿射能流交替递归计算方法,将电网空载状态的状态量初值作为多能流计算起始点,基于各仿射型状态量的幂级数系数递推关系,以交替进行的方式逐阶递归计算电网、气网和耦合设备的仿射型状态量幂级数系数,求解电-气互联系统的能流分布区间。仿真结果验证了所提方法在算法保守性、收敛性和计算效率等方面的优势。

Superlinearly Convergent Affine Scaling Interior Trust-Region Method for Linear Constrained LC^1 Minimization

We extend the classical affine scaling interior trust region algorithm for the linear constrained smooth minimization problem to the nonsmooth case where the gradient of objective function is only locally Lipschitzian. We propose and analyze a new affine scaling trust-region method in association with nonmonotonic interior backtracking line search technique for solving the linear constrained LC1 optimization where the second-order derivative of the objective function is explicitly required to be locally Lipschitzian. The general trust region subproblem in the proposed algorithm is defined by minimizing an augmented affine scaling quadratic model which requires both first and second order information of the objective function subject only to an affine scaling ellipsoidal constraint in a null subspace of the augmented equality constraints. The global convergence and fast local convergence rate of the proposed algorithm are established under some reasonable conditions where twice smoothness of the objective function is not required. Applications of the algorithm to some nonsmooth optimization problems are discussed.

An Inexact Affine Scaling Levenberg-Marquardt Method Under Local Error Bound Conditions

We propose an inexact affine scaling Levenberg-Marquardt method for solving bound-constrained semismooth equations under the local error bound assumption which is much weaker than the standard nonsingularity condition. The affine scaling Levenberg-Marquardt equation is based on a minimization of the squared Euclidean norm of linearized model adding a quadratic affine scaling matrix to find a solution which belongs to the bounded constraints on variable. The global convergence and the superlinear convergence rate are proved.Numerical results show that the new algorithm is efficient.

基于分段仿射阻抗模型的电压源变流器小扰动稳定域在线构造

近年来小扰动振荡事故频发,亟需建立能反映新能源并网系统全工况的在线稳定域。小扰动在线稳定域可以为时变性和波动性下新型电力系统的安全评估和控制优化提供强有力的支撑。因此,提出基于分段仿射阻抗模型的电压源变流器(voltage source converter,VSC)小扰动稳定域在线构造方法。首先,该方法使用电压、功率和频域因子作为分区变量,离线构建VSC的分段仿射阻抗模型。在线计算时根据运行工况可以快速定位运行分区并确定对应的线性仿射模型,从而极大地提高阻抗计算的效率。其次,提出VSC稳定域边界点的双层优化模型,利用改进的广义奈奎斯特判据和复合形法进行快速求解。然后,通过改变双层优化模型的求解方向搜索边界点,基于分段拟合获取准确的边界解析式。最后,仿真算例和实验结果表明,分段仿射阻抗模型与全阶阻抗模型误差小于1%;该方法可以准确和高效地构建在线稳定域。

猴耳环双标多测法及抗氧化、α-葡萄糖苷酶抑制活性成分快速筛选法的建立

目的:建立猴耳环中5个成分的双标多测法及其抗氧化、α-葡萄糖苷酶抑制活性成分的快速筛选法。方法:采用HPLC法,以双标线性校正法准确定位猴耳环中5个成分色谱峰,以没食子酸为参照物,计算没食子酸与其余4个成分的相对校正因子,对各成分进行定量,将所得结果与外标法进行比较。采用离线DPPH-HPLC法及亲和超滤液相联用法快速筛选猴耳环中具有抗氧化、α-葡萄糖苷酶抑制活性成分。结果:双标线性校正法相比于相对保留时间更能准确地预测待测组分在未知色谱柱上的保留时间;相对校正因子法和外标法结果的RSD<2.00%。采用离线DPPH-HPLC法及亲和超滤液相联用法可以快速筛选出猴耳环中7-没食子酰基特利色黄烷、杨梅苷等不同程度抗氧化活性和α-葡萄糖苷酶抑制活性的化合物。结论:该研究建立的双标多测同时测定猴耳环中5个成分的方法准确可行,采用离线DPPH-HPLC法及亲和超滤液相联用法能快速、灵敏、高通量筛选猴耳环中的抗氧化和α-葡萄糖苷酶抑制活性成分。

基于分形理论的城市轨道交通客流动态特征研究

随着城市轨道交通的发展,其站点与线路设施将逐渐完善,并引发客流的变化。为评价轨道交通客流的动态特征,针对轨道交通客流时空不确定的特点,采用半径-面积法,分析轨道交通客流进/出站维数与其分枝维数,探究轨道交通建设过程中客流分维的短时与长期变化特征。为研究轨道客流的自仿射特性,采用功率谱分析法,计算自仿射记录维数。以苏州市轨道交通为例,发现客流的全天变化趋势可用分形维数量化分析。采用功率谱分析方法逐一求解不同时间段下的自仿射记录维数,发现平峰期的客流空间衰减率更高,同质性更低。研究成果可为进一步解析与优化轨道交通的利用效率与服务能力提供理论指导。