Hardware accelerator for molecular dynamics: MDGRAPE-2

We developed MDGRAPE-2, a hardware accelerator that calculates forces at high speed in molecular dynamics (MD) simulations. MDGRAPE-2 is connected to a PC or a workstation as an extension board. The sustained performance of one MDGRAPE-2 board is 15 Gflops, roughly equivalent to the peak performance of the fastest supercomputer processing element. One board is able to calculate all forces between 10 000 particles in 0.28 s (i.e. 310000 time steps per day). If 16 boards are connected to one computer and operated in parallel, this calculation speed becomes ∼10 times faster. In addition to MD, MDGRAPE-2 can be applied to gravitational N-body simulations, the vortex method and smoothed particle hydrodynamics in computational fluid dynamics.     

N2O减排装置工艺原料气流量补偿方法的探讨

N2O减排装置的工艺原料气是多组分混合气体.目前,原料气流量测量采用的是进行了温压补偿的阿牛巴流量计.由于原料气体的组分含量随工况的变化而变化,因此,这种测量方法存在很大的测量误差.通过分析流量测量中所存在误差,提出了采用阿牛巴流量计-涡街流量计、阿牛巴流量计-浓度分析仪这两种组合仪表的解决方案.通过理论推导、计算和可行性分析表明,这两种解决方案是降低多组分混合气体流量测量误差的有效方法.     

基于神经网络动态逆的大攻角导弹解耦设计

空空导弹大攻角飞行时,由于出现非对称涡及涡破裂现象,导致强烈的通道间耦合并呈现非线性特性;为提高系统控制品质,实现通道间解耦,文中基于非线性动态逆系统原理,利用了RBF神经网络逼近逆误差,构造了基于神经网络动态逆的大攻角导弹解耦控制器;最后,对控制系统进行了仿真分析,实验结果表明了该方法的可行性。     

Numerical analysis and computations of a high accuracy time relaxation fluid flow model

We present a numerical study based on continuous finite element analysis for a time relaxation regularization of Navier–Stokes equations. This regularization is based on filtering and deconvolution. We study the convergence of the regularized equations using a fully discretized filter and deconvolution algorithm. Velocity and pressure error estimates and the L ₂ Aubin–Nitsche lift technique are proved for the equilibrium problem, and this analysis is accompanied by the velocity error estimate for the time-dependent problem, too. Thus, optimal error estimates in L ₂ and H ¹ norms are derived and followed by their computational verification. Also, computational results of the vortex street are presented for the two-dimensional cylinder benchmark flow problem. Maximum drag and lift coefficients and difference in pressure between the front and back of the cylinder at the final time were investigated as well, showing that the time relaxation regularization can attain the benchmark values.     

Accuracy evaluation of unsteady CFD numerical schemes by vortex preservation

Numerical uncertainty is an important but sensitive subject in computational fluid dynamics and there is a need for improved methods to quantify calculation accuracy. A known analytical solution, a Lamb-type vortex unsteady movement in a free stream, is compared to the numerical solutions obtained from different numerical schemes to assess their temporal accuracies. Solving the Navier-Stokes equations and using the standard Linearized Block Implicit ADI scheme, with first order accuracy in time second order in space, a vortex is convected and results show the rapid diffusion of the vortex. These calculations were repeated with the iterative implicit ADI scheme which has second-order time accuracy. A considerable improvement was noticed. The results of a similar calculation using an iterative fifth-order spatial upwind-biased scheme is also considered. The findings of the present paper demonstrate the needs and provide a means for quantification of both distribution and absolute values of numerical error.     

Topology‐Preserving λ2‐based Vortex Core Line Detection for Flow Visualization

We propose a novel vortex core line extraction method based on the λ₂ vortex region criterion in order to improve the detection of vortex features for 3D flow visualization. The core line is defined as a curve that connects λ₂ minima restricted to planes that are perpendicular to the core line. The basic algorithm consists of the following stages: (1) λ₂ field construction and isosurface extraction; (2) computation of the curve skeleton of the λ₂ isosurface to build an initial prediction for the core line; (3) correction of the locations of the prediction by searching for λ₂ minima on planes perpendicular to the core line. In particular, we consider the topology of the vortex core lines, guaranteeing the same topology as the initial curve skeleton. Furthermore, we propose a geometry‐guided definition of vortex bifurcation, which represents the split of one core line into two parts. Finally, we introduce a user‐guided approach in order to narrow down vortical regions taking into account the graph of λ₂ along the computed vortex core line. We demonstrate the effectiveness of our method by comparing our results to previous core line detection methods with both simulated and experimental data; in particular, we show robustness of our method for noise‐affected data.     

基于改进涡流搜索算法的外骨骼迭代学习控制

为提升康复外骨骼机器人的步态跟踪性能,提出一种基于改进涡流搜索算法的迭代学习控制方法。首先针对传统迭代学习控制抗扰性差和控制信息缺失问题,引入PD控制器、自适应遗忘因子、误差过渡曲线和控制信息搜索等策略,改进迭代学习控制律;其次,基于多种策略对涡流搜索算法进行改进,提出了一种改进涡流搜索算法,改进后的算法可优化迭代学习控制的PD参数;最后进行行走实验,将提出的迭代学习控制方法与现有的同类算法进行仿真和数值比较,并测试了扰动情况下的跟踪性能。实验结果表明,所提方法的误差更小,跟踪性能更强。该算法改进了迭代学习控制的不足,具有较强的抗扰性能,保证了使用时的稳定性。     

Near-field propagation of vortex beams: Models and computation algorithms

We have analyzed the diffraction of a plane wave and a vortex beam on a circular micro-aperture in the near field (a few wavelengths away from the source) using different models and computation algorithms: the Reyleigh-Sommerfeld integral, plane wave expansion method, and finite-difference time-domain (FDTD) method. Comparison of the models showed that the plane wave expansion method modified by the Mansuripur matrix allows us to avoid the singularity in the region of high spectral frequencies and take into account all components of the vector field when the incident beam is bounded with an aperture. Comparison of the computation algorithms in respect to accuracy and computation time showed that it is possible to use integral methods even if the distance from the optical element is less than a wavelength. The simulation of the near-field diffraction of a vortex beam on a circular micro-aperture allowed us to discover oscillations of the vortex beam in the central shade area: the size of the light vortex oscillates as the beam propagates and can be much smaller than it is predicted by the paraxial theory. In addition, the expressions obtained for vortex beams show that near the axis the total intensity will not be zero when the order of the vortex is |m| ≤ 2.     

窄方腔软湍流热对流中角涡的三维发卡状 流动结构

通过直接数值模拟（Direct Numerical Simulation,DNS）求解三维窄方腔湍流Rayleigh Bénard（RB）热对流流场,讨论尺度比为1/4的三维窄方腔中的流动.三维方腔流场的流线图和速度场与二维流场一致,都反映出大尺度环流和角涡的软湍流流动特征.进一步观察三维流线图发现,在近底板附近流线的走向并不是沿着大尺度环流的方向.转换三维流线图的观察角度,可明显看到近底板附近流线是螺旋状的,并与角涡相连.分析整个流场的涡旋特征发现,在窄方腔热对流中沿底板棱边区域产生涡对与角涡连接形成三维发卡涡流动的结构.     

应用MIPAS/ENVISAT卫星遥感资料研究平流层爆发性增温过程中大气化学成分变化特征

2002年12月~2003年1月北半球高纬地区平流层发生了一次爆发性增温过程（SSW）,使该地区的动力、热力场和大气化学成分的分布发生剧烈变化。选取了搭载在欧洲环境探测卫星ENVISAT上的对地遥感观测仪器麦克耳逊干涉被动大气探测仪（MIPAS）的观测数据,首先利用臭氧探空资料和再分析气象资料对MIPAS观测的臭氧和温度廓线资料进行了对比验证;其次使用该资料对此次SSW过程进行了研究。对比结果显示,MIPAS资料与NCEP和臭氧探空资料都有较好的一致性。在这次平流层爆发性增温事件中,增温过程随时间向下传播影响到平流层下层。N₂O和CH₄的水平和垂直浓度分布与位涡反映的极涡始终都有很好的一致性。O₃和H₂O的浓度分布也受到极涡的限制,O₃体积混合比随增温而增大,有极涡外的O₃进入极涡。NO₂并未受到极涡分布的严格限制,在极区维持低浓度区。HNO₃浓度场在极区显示为极大值,但并不与极涡对应。     

基于涡旋电磁波的大容量通信系统设计

鉴于涡旋电磁波所体现出的独特空间电磁场分布特征,以及其携带的轨道角动量在理论上所具有的无穷维度模态正交特性,涡旋电磁波在无线通信领域和雷达探测与成像领域均表现出重要的研究价值和应用潜力;通过涡旋电磁波空间电磁场的分布和原理入手,采用在C波段设计阵元交替排布的双圆环均分天线阵列,并基于带状线屏蔽性能强的优势设计4路1分8的叠层馈电网络,从而产生4种混合模态(+1,-1,+2,-2)的涡旋天馈系统;通过搭建混合模态涡旋电磁波大容量通信系统测试收发天馈之间模态隔离度大于15dB,在此基础上加入软件无线电平台验证通信系统多路涡旋波信号传输特性,测试验证4个端口均可正确接收、解调电磁信号,实现频谱效率4倍的提升。     

Existence,stability, and scattering of bright vortices in the cubic–quintic nonlinear Schrödinger equation

We revisit the topic of the existence and azimuthal modulational stability of solitary vortices (alias vortex solitons) in the two-dimensional (2D) cubic–quintic nonlinear Schrödinger equation. We develop a semi-analytical approach, assuming that the vortex soliton is relatively narrow, which allows one to effectively split the full 2D equation into radial and azimuthal 1D equations. A variational approach is used to predict the radial shape of the vortex soliton, using the radial equation, yielding results very close to those obtained from numerical solutions. Previously known existence bounds for the solitary vortices are recovered by means of this approach. The 1D azimuthal equation of motion is used to analyze the modulational instability of the vortex solitons. The semi-analytical predictions – in particular, the critical intrinsic frequency of the vortex soliton at the instability border – are compared to systematic 2D simulations. We also compare our findings to those reported in earlier works, which featured some discrepancies. We then perform a detailed computational study of collisions between stable vortices with different topological charges. Borders between elastic and destructive collisions are identified.     

Nonlinear prediction of subsonic aerodynamic loads on wings and bodies at high angles of attack

This paper predicts numerically the nonlinear aerodynamic loads on wings and bodies at high angles of attack in subsonic flow separating along certain known lines. It is assumed that the separation vortices are symmetric and unbursting. The wing mean surfaces and body surfaces are simulated by bound vortex lattices, and the separation vortex surfaces by free vortex lines. The vortex system satisfies boundary conditions on wing and body surfaces, separation conditions, and the condition that free vortex lines are tangent to local velocity. The velocity induced by a vortex is computed by the Biot-Savart law with Göthert transformation for subsonic small perturbation flows. The vortex strengths and the free vortex locations are solved by relaxation method. Then the aerodynamic loads on wings and bodies are computed. They agree well with experimental tests.     

基于混沌理论的涡街微弱信号检测方法研究

针对涡街流量传感器在小口径、低流速下信号微弱,易被强噪声淹没而难于提取的特点,提出了利用Duffing振子检测微弱信号的方法.通过仿真对涡街信号中含有白噪声以及谐波干扰的情况进行分析,仿真和实验均表明:这种基于混沌理论的微弱信号检测方法对涡街信号中较强的白噪声以及频差较大的谐波干扰具有很好的免疫力,并且通过计算最大Lyapunov指数的波动频率能够准确估计出涡街有用信号频率,实现低流速下涡街微弱信号检测.     

Adaptive extraction and quantification of geophysical vortices

We consider the problem of extracting discrete two-dimensional vortices from a turbulent flow. In our approach we use a reference model describing the expected physics and geometry of an idealized vortex. The model allows us to derive a novel correlation between the size of the vortex and its strength, measured as the square of its strain minus the square of its vorticity. For vortex detection in real models we use the strength parameter to locate potential vortex cores, then measure the similarity of our ideal analytical vortex and the real vortex core for different strength thresholds. This approach provides a metric for how well a vortex core is modeled by an ideal vortex. Moreover, this provides insight into the problem of choosing the thresholds that identify a vortex. By selecting a target coefficient of determination (i.e., statistical confidence), we determine on a per-vortex basis what threshold of the strength parameter would be required to extract that vortex at the chosen confidence. We validate our approach on real data from a global ocean simulation and derive from it a map of expected vortex strengths over the global ocean.     

涡街流量计信号的高阶统计量特征

涡街信号的正确分析和有效处理是实现涡街流量计准确测量的先决条件之一.为研究涡街信号的非高斯性,提出了一种基于高阶统计量方法的涡街流量计信号分析的新方法.通过对涡街管壁差压信号的双谱分析,提取了不同流量下信号的非高斯特征.以信号的双谱幅度最大值作为特征参数,对不同流量下涡街信号偏离高斯分布的程度进行了定量估计.实验结果表明:涡街信号的非高斯性随着流量的增大而不断增加.这一研究结果为深入理解涡街现象、进一步优化涡街流量计的设计提供了有力的参考.     

基于改进直线涡元诱导速度模型的旋翼自由尾迹计算方法

通过设置涡核模型的角度条件,使涡核模型在极限状态下仍保持收敛,进而改进了利用Biot-Savart定律计算直线涡元对空间任意一点诱导速度的模型;桨叶气动模型采用Weissinger-L升力面理论模拟;自由尾迹的求解采用PIPC松弛迭代算法结合具有二阶精度的CB2D时间步进算法.利用上述模型和算法对某型号旋翼的尾迹进行数值计算,结果显示:利用改进涡核模型计算的桨尖涡径向位移收缩更加明显,这与实际情况更加接近;利用改进涡核模型得到的自由尾迹结果与实验数据吻合的更好.上述结论可以证明,新建立的旋翼自由尾迹模型提高了原有模型的准确性.     

含激波、旋涡和声波的复杂多尺度流动的直接数值模拟

本文主要报道了我们近年来在银河并行机上采用五阶WENO格式所做的一系列直接数值模拟研究,主要包括激波与单旋涡相互作用、激波与旋涡对相互作用、激波与三维纵向旋涡的相互作用,以及可压缩各向同性湍流。研究的主要目的是揭示激波与旋涡间相互作用中的激波动力学特性、旋涡变形、旋涡破裂和声波的产生机理,以及湍流等多尺度复杂流动的流场结构和流动机理。研究表明,高阶WE-NO格式具有很好的分辨率和稳定性,是研究上述包含强间断与复杂流场结构的流动的理想数值方法。研究发现,激波与强旋涡相互作用具有多级特征,即激波与初始旋涡的相互作用、反射激波与变形旋涡的相互作用、小激波与变形旋涡的相互作用。激波与旋涡对相互作用中产生的声波包含两个区域:线性区和非线性区。在线性区,激波与旋涡对相互作用产生的声波是激波分别与每个旋涡单独作用产生的声波的线性叠加;而在非线性区则与激波和耦合旋涡对的作用有关。在激波与纵向旋涡的相互作用过程中,发现旋涡破裂区存在多螺旋结构。在高初始湍流马赫数的各向同性湍流脉动场中,也发现了广泛报导的"小激波"的存在,这是可压缩湍流有别于不可压缩湍流的显著结构特征。     

利用管壁差压检测涡街流量信号的研究

现有涡街流量计传感器系统结构复杂,容易干扰旋涡尾流,需要离线维修和更换,对连续生产过程十分不利.根据涡街流量计的基本原理,提出了在管壁上安装差压传感器,通过检测旋涡发生体后管壁处的差压信号的频率来检测涡街流量信号的新方法.实验结果表明,这种方法不仅具有原理简单,准确度较高,工作可靠,成本低,抗干扰性较强,在一般工业测量中易实现等特点,而且能够简化涡街流量计传感器系统,消除传感器对尾流的影响,实现传感器在线维修和更换.