Accurate iteration-free mixed-stabilised formulation for laminar incompressible Navier–Stokes: Applications to fluid–structure interaction

Stabilised mixed velocity–pressure formulations are one of the widely-used finite element schemes for computing the numerical solutions of laminar incompressible Navier–Stokes. In these formulations, the Newton–Raphson scheme is employed to solve the nonlinearity in the convection term. One fundamental issue with this approach is the computational cost incurred in the Newton–Raphson iterations at every load/time step. In this paper, we present an iteration-free mixed finite element formulation for incompressible Navier–Stokes that preserves second-order temporal accuracy of the generalised-alpha and related schemes for both velocity and pressure fields. First, we demonstrate the second-order temporal accuracy using numerical convergence studies for an example with a manufactured solution. Later, we assess the accuracy and the computational benefits of the proposed scheme by studying the benchmark example of flow past a fixed circular cylinder. Towards showcasing the applicability of the proposed technique in a wider context, the inf–sup stable P2–P1 pair for the formulation without stabilisation is also considered. Finally, the resulting benefits of using the proposed scheme for fluid–structure interaction problems are illustrated using two benchmark examples in fluid-flexible structure interaction.     

改进的五阶WENO-Z+格式

WENO-ZWENO-Z$+\!$格式的性能提升依赖于新增项的作用,该项的作用是在WENO-Z格式的基础上进一步增大欠光滑子模板上的权重. 系数$\lambda$被设置用来调控该项的作用, 以避免负耗散. 本文指出了WENO-Z$+\!$格式的缺陷,其所采用$\lambda $的取值方式既不能充分发挥格式的潜力, 也未完全消除负耗散;提出$\lambda $的值应随当地流场数据变化,方能充分发挥新增项在降低数值耗散、提高分辨率上的潜力. 基于此,本文重新设计了$\lambda $的计算公式,该公式能自适应地调控新增项的作用: 只在欠光滑子模板上的权重容易过度增大的地方削弱该项的作用,以避免负耗散; 在其他地方则充分发挥新增项的作用,最大限度增大欠光滑子模板上的权重, 提高格式的分辨率.将使用该系数公式的新格式命名为WENO-Z++, 并对其数值性能进行了系统的研究.理论分析表明, 新格式在间断处具有基本无振荡(essentially non-oscillatory,ENO)特性和更低的数值耗散. 对近似色散关系(approximate dispersion relation,ADR)的研究表明,新格式有效地避免了因过度增大欠光滑子模板上的权重而带来的负耗散,其频谱特性也得到了显著提升.本文还推导了使新格式在极值点处也能保持最优阶的精度的参数设置.一系列求解Euler方程的数值试验表明,新格式的激波捕捉能力和对复杂流场结构的分辨率都显著优于原WENO-Z$+\!$格式.}     

一种提高极值点处收敛精度的三阶WENO-Z格式

为了提高三阶WENO-Z格式在极值点处的计算精度,通过理论推导给出三阶WENO格式满足收敛精度的充分条件。采用泰勒级数展开的方式,推导给出所构造格式非线性权重的计算公式,并综合权衡计算精度和计算稳定性确定所构造格式的参数。通过两个典型的精度测试,验证了改进格式在光滑流场极值点区域逼近三阶精度。进一步选用激波与熵波相互作用和Richtmyer-Meshkov不稳定性等经典算例,证实了本文提出的改进格式WENO-PZ3相较其他格式（WENO-JS3和WENO-Z3）不仅具有较高的精度,而且降低了格式的耗散,提高了对流场结构的分辨率。     

过渡金属络合物成键本质分析的常用方法

过渡金属络合物中过渡金属与配体间所形成的化学键的成键本质,可以在理论化学基础上,采用定量的方法进行分析。本文重点以铁羰基络合物为例,对常用的分析方法,如自然键轨道方法(NBO)、电荷分解分析(CDA)、分子中的原子(AIM)拓扑分析方法以及ETS和EDA能量分解方法等,在应用中的优缺点进行了分析和评述。借助于这些方法提供的电荷、能量和电子密度等配分项可以深刻认识和理解过渡金属-配体间形成的化学键的成键本质。     

Approximate Atomic Green Functions

In atomic and many-particle physics, Green functions often occur as propagators to formally represent the (integration over the) complete spectrum of the underlying Hamiltonian. However, while these functions are very crucial to describing many second- and higher-order perturbation processes, they have hardly been considered and classified for complex atoms. Here, we show how relativistic (many-electron) Green functions can be approximated and systematically improved for few- and many-electron atoms and ions. The representation of these functions is based on classes of virtual excitations, or so-called excitation schemes, with regard to given bound-state reference configurations, and by applying a multi-configuration Dirac-Hartree-Fock expansion of all atomic states involved. A first implementation of these approximate Green functions has been realized in the framework of Jac, the Jena Atomic Calculator, and will facilitate the study of various multi-photon and/or multiple electron (emission) processes.     

新高考方案下浙江省化学分类走班教学的研究

新高考方案给予学生更多学科选择权,同时也给化学学科带来了新的挑战。以化学教学为视角,在2014级学生实施分类走班教学的基础上,通过调查影响学生化学学考/选考的因素,探究新高考方案对化学教学的影响以及实践相应的教学策略。重点研究教学组织形式的改变、教学内容的重组融合、教学手段的多元互补、教学方式的选择优化、教学观念的更新发展。     

基于“模型认知”的定量实验方案设计的教学实践*——摩尔盐纯度的测定

针对高三定量实验的复习特点,以“摩尔盐纯度的测定”为例进行基于“模型认知”核心素养培养的教学实践。对教学背景、设计思路、教学过程等方面进行研究分析,并从精心选素材,引发模型认知;高质量设问,建构模型认知;点、线、面结合,丰富模型认知等3个角度对促进学生“模型认知”素养提升的化学教学进行分析和阐释。     

Solitary wave solution to Aw-Rascle viscous model of traffic flow

A traveling wave solution to the Aw-Rascle traffic flow model that includes the relaxation and diffusion terms is investigated. The model can be approximated by the well-known Kortweg-de Vries (KdV) equation. A numerical simulation is conducted by the first-order accurate Lax-Friedrichs scheme, which is known for its ability to capture the entropy solution to hyperbolic conservation laws. Periodic boundary conditions are applied to simulate a lengthy propagation, where the profile of the derived KdV solution is taken as the initial condition to observe the change of the profile. The simulation shows good agreement between the approximated KdV solution and the numerical solution.     

双颗粒沉降的动力学分析

采用格子Boltzmann-虚拟区域方法对雷诺数范围为50≤Re≤200的双颗粒自由沉降进行了直接数值模拟。首先,研究发现双颗粒最终沉降的位置分别在通道的1/4和3/4位置附近,且与颗粒的初始间距、雷诺数以及通道宽度无关。其次,重点研究了颗粒沉降过程中所受的侧向力(与沉降方向垂直),首次揭示了侧向力的振动频率与雷诺数呈二次关系,且单颗粒的结果始终小于双颗粒的结果;研究还发现侧向力的振动频率与通道宽度近似呈幂律函数关系,且幂律指数与雷诺数有关,雷诺数越大,幂律指数的绝对值越小。最后还研究了雷诺数及通道宽度对侧向力振动振幅的影响。     

非线性双曲型守恒律的高精度MmB差分格式

构造了一维非线性双曲型守恒律方程的一个高精度、高分辨率的广义G odunov型差分格式。其构造思想是:首先将计算区间划分为若干个互不相交的小区间,再根据精度要求等分小区间,通过各细小区间上的单元平均状态变量,重构各等分小区间交界面上的状态变量,并加以校正;其次,利用近似R iem ann解算子求解细小区间交界面上的数值通量,并结合高阶R unge-K u tta TVD方法进行时间离散,得到了高精度的全离散方法。证明了该格式的Mm B特性。然后,将格式推广到一、二维双曲型守恒方程组情形。最后给出了一、二维Eu ler方程组的几个典型的数值算例,验证了格式的高效性。