Search for a Steric Penultimate Effect: Copolymerization of 2,3,4-Trimethyl-3-pentyl Methacrylate with Styrene

The hindered monomer, 2,3,4-trimethyl-3-pentyl methacrylate (I), was synthesized for penultimate effect studies. Since it readily homopoiymerized (km¹¹¹≠ 0) and readily copolymerized with styrene, copolymerizations of I with styrene were carried out at 60°C in benzene with AIBN as initiator. The conversion to copolymer and the copolymer composition were determined by using GLC techniques. Composition-conversion data was analyzed by performing a computerized nonlinear least-squares fitting to the integrated form of the penultimate model equation. The experimental design included the use of optimized M¹°/M²° ratios. The penultimate reactivity ratios calculated from these data were r¹′ = 0.23, r¹′= 0.59, r² = 0.59, r²′ = 1.34. Thus, when I is the penultimate unit, a terminal styryl radical prefers to add styrene, whereas when styrene is the penultimate unit, terminal styryl radicals prefer to add I. These results constitute the best evidence for a steric penultimate effect yet available in the literature from composition-conversion studies. However, the case is not yet proved. Further studies to strengthen this conclusion are proposed.     

NESTED GRID METHODS FOR AN OCEAN MODEL: A COMPARATIVE STUDY

In this paper a comparison is carried out between three correction methods for multigrid local mesh refinement in oceanic applications: FIC, LDC and the direct method (DM) proposed by Spall and Holland. This study is based on a nested primitive equation model developed by Laugier on the basis of the code OPA (LODYC). The external barotropic problem is solved using any of the three local grid correction algorithms yielding an interactive nested grid model. The non-linear elliptic equation for the barotropic streamfunction tendency is solved on two nested grids, called the global and the zoom grid, that interact between themselves. The zoom grid is entirely embedded within the global domain with a horizontal grid step ratio of 3:1. The computation on the global grid supplies the boundary conditions for the zoom grid region and the fine grid fields are used to correct the global coarse solution. The three local correction methods are tested on two problems relevant to oceanic circulation phenomena proposed by Spall and Holland: a barotropic modon and an anticyclonic vortex. The results show that the nesting technique is a very efficient way to solve these problems in terms of a gain in precision compared with the required CPU time. The two-domain model with local mesh refinement allows one both to manage effectively the open boundary conditions for the local grid and to correct the global solution thanks to the zoom solution. In the case of the modon propagation the three local correction methods provide approximately the same results. For the baroclinic vortex it appears that the two iterative methods are more efficient than the direct one.     

AN UNFACTORED IMPLICIT MOVING MESH METHOD FOR THE TWO-DIMENSIONAL UNSTEADY N–S EQUATIONS

An unfactored implicit time-marching method for the solution of the unsteady two-dimensional Reynolds-averaged thin layer Navier–Stokes equations is presented. The linear system arising from each implicit step is solved by the conjugate gradient squared (CGS) method with preconditioning based on an ADI factorization. The time-marching procedure has been used with a fast transfinite interpolation method to regenerate the mesh at each time step in response to the motion of the aerofoil. The main test cases examined are from the AGARD aeroelastic configurations and involve aerofoils oscillating rigidly in pitch. These test cases have been used to investigate the effect of various parameters, such as CGS tolerance and laminar/turbulent transition location, on the accuracy and efficiency of the method. Comparisons with available experimental data have been made for these cases. In order to illustrate the application of the mesh generator and flow solver to more general flows where the aerofoil deforms, results for an NACA 0012 aerofoil with an oscillating trailing edge flap are also shown.     

A control volume finite element method for three-dimensional three-phase flows

A novel control volume finite element method with adaptive anisotropic unstructured meshes is presented for three-dimensional three-phase flows with interfacial tension. The numerical framework consists of a mixed control volume and finite element formulation with a new P₁DG-P₂ elements (linear discontinuous velocity between elements and quadratic continuous pressure between elements). A “volume of fluid” type method is used for the interface capturing, which is based on compressive control volume advection and second-order finite element methods. A force-balanced continuum surface force model is employed for the interfacial tension on unstructured meshes. The interfacial tension coefficient decomposition method is also used to deal with interfacial tension pairings between different phases. Numerical examples of benchmark tests and the dynamics of three-dimensional three-phase rising bubble, and droplet impact are presented. The results are compared with the analytical solutions and previously published experimental data, demonstrating the capability of the present method.     

基于局部加密纯无网格法非线性Cahn-Hilliard方程的模拟

为数值求解描述不同物质间相位分离现象的高阶非线性Cahn-Hilliard(C-H)方程,发展了一种基于局部加密纯无网格有限点集法(local refinement finite pointset method,LR-FPM).其构造过程为:1)将C-H方程中四阶导数降阶为两个二阶导数,连续应用基于Taylor展开和加权最小二乘法的FPM离散空间导数;2)对区域进行局部加密和采用五次样条核函数以提高数值精度;3)局部线性方程组求解中准确施加含高阶导数Neumann边值条件.随后,运用LR-FPM求解有解析解的一维/二维C-H方程,分析粒子均匀分布/非均匀分布以及局部粒子加密情况的误差和收敛阶,展示了LR-FPM较网格类算法在非均匀布点情况下的优点.最后,采用LR-FPM对无解析解的一维/二维C-H方程进行了数值预测,并与有限差分结果相比较.数值结果表明,LR-FPM方法具有较高的数值精度和收敛阶,比有限差分法更易数值实现,能够准确展现不同类型材料间相位分离非线性扩散现象随时间的演化过程.     

基于改进格林元的压裂水平井动态分析方法

以建立高效的动态分析方法为出发点,以边单元作为求解点,改进传统的格林元方法,减少未知数和求解矩阵维度;并提出基于改进格林元的加密网格加密方法,保证考虑复杂裂缝网络的压裂水平井动态模拟的早期精度.退化模型与半解析解、数值模拟结果进行对比,验证本文基于加密网格的改进格林元方法的准确性和动态分析的高效性.最后进行动态响应的敏感性分析,结果表明：①格林元方法是一种高精度的动态模拟方法,将求解节点设置在网格的边上可以提高压裂水平井动态模拟的速度;②改进格林元方法的加密基于叠加原理,不需要通过插值近似,其求解精度高.在相同加密网格条件下,基于本文改进格林元方法的加密效果比有限差分加密效果更佳;③复杂裂缝导流能力、改造区渗透率提高倍数、改造区大小等参数对压裂水平井动态特征影响较大,在动态分析和参数反演时,应着重考虑这些因素的影响.     

Evolution of vortices in the wake of an ARJ21 airplane: Application of the lift-drag model

Wake separation is crucial to aircraft landing safety and is an important factor in airport operational efficiency. The near-ground evolution characteristics of wake vortices form the foundation of the wake separation system design. In this study, we analysed the near-ground evolution of vortices in the wake of a domestic aircraft ARJ21 initialised by the lift-drag model using large eddy simulations based on an adaptive mesh. Evolution of wake vortices formed by the main wing, flap and horizontal tail was discussed in detail. The horizontal tail vortices are the weakest and dissipate rapidly, whereas the flap vortices are the strongest and induce the tip vortex to merge with them. The horizontal tail and flap of an ARJ21 do not significantly influence the circulation evolution, height change and movement trajectory of the wake vortices. The far-field evolution of wake vortices can therefore be analysed using the conventional wake vortex model.     

NeuDATool：支持GPU硬件加速和计算机集群跨节点并行的开源中子散射数据分析软件

实验势精修是20世纪80年代英国散裂中子源无定型材料组开发的用于分析中子散射实验数据的软件. 实验势精修的目标是根据中子散射数据重建样品的三维原子结构. 在过去的几十年,实验势精修被广泛用于中子散射实验数据分析,为实验用户提供了可靠的分析结果. 但是实验势精修是基于共享内存并行计算(OpenMP)的Fortran程序,不支持计算机服务器集群跨节点并行加速和GPU加速;这限制了它的分析速度. 随着计算机服务器集群的广泛建设和GPU加速技术的普遍使用,有必要重新编写EPSR程序以提高运算速度. 本文使用面向对象的C++语言,开发了一套实现EPSR算法的开源软件包NeuDATool;软件通过MPI和CUDA C实现了计算机集群跨节点并行和GPU加速. 使用液态水和玻璃态二氧化硅的中子散射实验数据对软件进行了测试. 测试显示软件可以正确重建出样品的三维原子结构;并且模拟体系达到10万原子以上时,使用GPU加速可以比串行的CPU算法提高400倍以上的模拟速度. NeuDATool为中子实验用户尤其是对熟悉C++编程并希望定义特殊分析算法的实验科学家提供了一种新的选择.     

Numerical and Experimental Investigation of the Conjugate Heat Transfer for a High-Pressure Pneumatic Control Valve Assembly

This paper uses heat transfer experiments and computational fluid dynamics (CFD) simulations to investigate the conjugate heat transfer (CHT) in a high-pressure pneumatic control valve assembly. A heat transfer test rig was constructed, and time–temperature histories of five test points placed on the valve assembly’s outer surface were recorded for study validation. The Unsteady Reynolds-Averaged Navier–Stokes (URANS) CFD methods with the standard k-ε turbulence closure equations were adopted in the numerical computations. Polyhedral grids were used; time step and mesh convergence studies were conducted. Simulated and measured temperatures profile comparisons revealed a good agreement. The CHT results obtained from CFD showed huge velocity fields downstream of the valve throat and the vent hole. The airflow through the valve was icy, mainly in the supersonic flow areas. Low temperatures below 273.15 K were recorded on the internal and external walls of the valve assembly. The consistency of the measured data with the numerical results demonstrates the effectiveness of polyhedral grids in exploring the CHT using CFD methods. The local entropy production rate analysis revealed that irreversibility is mainly due to viscous dissipation. The current CHT investigation provides a potential basis for thermostress analysis and optimization.     

An approach to control the spurious currents in a multiphase lattice Boltzmann method and to improve the implementation of initial condition

Multiphase lattice Boltzmann methods are known to generate spurious or parasitic currents at the fluid–fluid interfaces. This nonphysical phenomenon has to be avoided, or at least controlled, in order to achieve reliable solutions. In this article, a method to control these fictitious velocities via lattice refinement is proposed, which is based on interface thickness control for which both the spurious currents and the physical fluid–fluid interface thickness vanishes as the spatial resolution increases. It has been found that a proper interface thickness adjustment is required as the lattice refinement is applied, or an increase in spurious currents, instead of a reduction, can occur. By combining the new method with an appropriate multiphase flow initialization, the overall stability for high density O(1000) and viscosity O(100) ratios is greatly improved. Although this research has been conducted with a Rothman and Keller type lattice Boltzmann model, it is believed that other types of multiphase lattice Boltzmann models could benefit from the basic ideas underlying this research. Copyright © 2015 John Wiley & Sons, Ltd.