不可压粘性流体浸入边界直接力法及软件实现

浸入边界法通过在N-S方程中施加体积力模拟不可滑移固壁边界及动边界，避免生成复杂贴体网格及动网格，极大地节省了网格建模时间及动网格计算消耗。本文提出一种新型附加体积力简化计算方法，将简化附加体积力以源项形式嵌入动量方程迭代中，通过用户自定义函数对CFD软件FLUENT二次开发，实现了浸入边界法和通用流体力学求解器的耦合计算。通过静止圆柱和动圆柱绕流数值模拟进行了验证，并探讨了插值函数对计算精度的影响。研究表明，通过引入浸入边界模型，能够提高计算效率，并实现结构网格背景下复杂边界和动边界的高效建模。     

垂直旋转流场中单颗粒运动状态判别及受力分析

为研究单颗粒在旋转流场中的运动状态及受力情况,以毫米级球形颗粒为例,利用旋转流场颗粒运动装置,通过使用摄像机记录颗粒在流场中的运动轨迹以获取其运动参数,分析了不同转速和颗粒直径条件下颗粒的运动轨迹,拟合得到了颗粒运动状态判别公式以及颗粒运动轨迹公式,分析了颗粒在旋转流场中的受力情况。结果表明,颗粒在旋转流场平衡状态下运动状态主要分为两类,一类是未离开壁面保持静止,另一类是离开壁面保持稳定周向运动;颗粒进行周向运动的轨迹为椭圆形,并且圆心随着转速的增大靠近旋转中心,而随着粒径的增大靠近壁面;颗粒在旋转流场的运动过程中主要受到离心力和旋转科式力作用。     

Shape morphing and topology optimization of fluid channels by explicit boundary tracking

An integrated shape morphing and topology optimization approach based on the deformable simplicial complex methodology is developed to address Stokes and Navier‐Stokes flow problems. The optimized geometry is interpreted by a set of piecewise linear curves embedded in a well‐formed triangular mesh, resulting in a physically well‐defined interface between fluid and impermeable regions. The shape evolution is realized by deforming the curves while maintaining a high‐quality mesh through adaption of the mesh near the structural boundary, rather than performing global remeshing. Topological changes are allowed through hole merging or splitting of islands. The finite element discretization used provides smooth and stable optimized boundaries for simple energy dissipation objectives. However, for more advanced problems, boundary oscillations are observed due to conflicts between the objective function and the minimum length scale imposed by the meshing algorithm. A surface regularization scheme is introduced to circumvent this issue, which is specifically tailored for the deformable simplicial complex approach. In contrast to other filter‐based regularization techniques, the scheme does not introduce additional control variables, and at the same time, it is based on a rigorous sensitivity analysis. Several numerical examples are presented to demonstrate the applicability of the approach.     

Synthesis of α-fluoro-α,β-unsaturated esters monitored by 1D and 2D benchtop NMR spectroscopy

For optimization and control of pharmaceutically and industrially important reactions, chemical information is required in real time. Instrument size, handling, and operation costs are important criteria to be considered when choosing a suitable analytical method apart from sensitivity and resolution. This present study explores the use of a robust and compact nuclear magnetic resonance (NMR) spectrometer to monitor the stereo-selective formation of α-fluoro-α,β-unsaturated esters from α-fluoro-β-keto esters via deprotonation and deacylation in real time. These compounds are precursors of various pharmaceutically active substances. The real-time study revealed the deprotonation and deacylation steps of the reaction. The reaction was studied at temperatures ranging from 293 to 333 K by interleaved one-dimensional ¹H and ¹⁹F and two-dimensional ¹H–¹H COSY experiments. The kinetic rate constants were evaluated using a pseudo first-order kinetic model. The activation energies for the deprotonation and deacylation steps were determined to 28 ± 2 and 63.5 ± 8 kJ/mol, respectively. This showed that the deprotonation step is fast compared with the deacylation step and that the deacylation step determines the rate of the overall reaction. The reaction was repeated three times at 293 K to monitor the repeatability and stability of the system. The compact NMR spectrometer provided detailed information on the mechanism and kinetics of the reaction, which is essential for optimizing the synthetic routes for stepwise syntheses of pharmaceutically active substances.     

Copper-Photocatalyzed Borylation of Organic Halides under Batch and Continuous-Flow Conditions

The copper-photocatalyzed borylation of aryl, heteroaryl, vinyl and alkyl halides (I and Br) was reported. The reaction proceeded using a new heteroleptic Cu complex under irradiation with blue LEDs, giving the corresponding boronic-acid esters in good to excellent yields. The reaction was extended to continuous-flow conditions to allow an easy scale-up. The mechanism of the reaction was studied and a mechanism based on a reductive quenching (Cu^I/Cu^I*/Cu⁰) was suggested.     

Periodic,breather and rogue wave solutions for a generalized (3+1)-dimensional variable-coefficient B-type Kadomtsev–Petviashvili equation in fluid dynamics

Under investigation in this paper is a generalized (3+1)-dimensional variable-coefficient B-type Kadomtsev–Petviashvili equation, which describes the propagation of nonlinear waves in fluid dynamics. Periodic wave solutions are constructed by virtue of the Hirota–Riemann method. Based on the extended homoclinic test approach, breather and rogue wave solutions are obtained. Moreover, through the symbolic computation, the relationship between the one-periodic wave solutions and one-soliton solutions has been analytically discussed, and it is shown that the one-periodic wave solutions approach the one-soliton solutions when the amplitude $\eta \to 0$.     

基于有限体积虚拟区域方法的两相流动直接模拟

为提高计算效率，提出有限体积法离散下的虚拟区域颗粒两相流动直接模拟方法.在控制方程中加入相应的虚拟区域源项，保证了颗粒内部的刚体运动特性.该源项中含有颗粒信息部分及流体信息部分.在每次迭代后，对源项中的流体信息部分进行更新，从而更好地保证颗粒内速度的刚体分布.计算静止颗粒圆柱绕流及单个颗粒的沉降过程，验证了算法的准确性.     

An anisotropic area-preserving flow for convex plane curves

This paper will deal with an anisotropic area-preserving flow which keeps the convexity of the evolving curve and the limiting curve converges to a homothety of a symmetric smooth strictly convex plane curve.     

Implicit–explicit schemes for nonlinear nonlocal equations with a gradient flow structure in one space dimension

Nonlinear convection–diffusion equations with nonlocal flux and possibly degenerate diffusion arise in various contexts including interacting gases, porous media flows, and collective behavior in biology. Their numerical solution by an explicit finite difference method is costly due to the necessity of discretizing a local spatial convolution for each evaluation of the convective numerical flux, and due to the disadvantageous Courant–Friedrichs–Lewy (CFL) condition incurred by the diffusion term. Based on explicit schemes for such models devised in the study of Carrillo et al. a second‐order implicit–explicit Runge–Kutta (IMEX‐RK) method can be formulated. This method avoids the restrictive time step limitation of explicit schemes since the diffusion term is handled implicitly, but entails the necessity to solve nonlinear algebraic systems in every time step. It is proven that this method is well defined. Numerical experiments illustrate that for fine discretizations it is more efficient in terms of reduction of error versus central processing unit time than the original explicit method. One of the test cases is given by a strongly degenerate parabolic, nonlocal equation modeling aggregation in study of Betancourt et al. This model can be transformed to a local partial differential equation that can be solved numerically easily to generate a reference solution for the IMEX‐RK method, but is limited to one space dimension.     

Existence for evolutionary problems with linear growth by stability methods

We establish that solutions to the Cauchy–Dirichlet problem

${?}_{t}u?\mathrm{div}(D_{\xi }f(x,Du))=0$

for functionals $f:\mathrm{\Omega }\times {\mathbb{R}}^{N\times n}\to [0,\infty )$ of linear growth can be obtained as limits of solutions to flows with p-growth in the limit $p\downarrow 1$. The result can be interpreted on the one hand as a stability result. On the other hand it provides an existence result for general flows with linear growth.