Handling contacts in an Eulerian frame: a finite element approach for fluid structures with contacts

ABSTRACT

Eulerian variational formulations for deformable solids, with or without fluids around them, end up, after implicit time discretisation, as large non-linear systems for the velocities in the moving domains. Handling moving domains and moving boundaries requires careful meshing procedures; on the other hand, the detection of contact is particularly simple with a distance function. Then at every time step, a variational inequality can be used to update the velocities. This article gives new implementation details and two new complex simulations: a very soft bouncing ball in an axisymmetric flow and a disk hit by a club.     

Initialization of phase-field fracture propagation in porous media using probability maps of fracture networks.

It is well known in the geophysical community that surface deflection information/micro-seismic data are considered to be one of the best diagnostics for revealing the volume of rock fracture. However, the in-exactness of the data representing the deformation induced to calibrate and represent complex fracture networks created and connected during hydraulic fracturing presents a challenge. In this paper, we propose a technique that implements a phase-field approach to propagate fractures and their interaction with existing fracture networks using surface deflection data. The latter one provides a probability map of fractures in a heterogeneous reservoir. These data are used to initialize both the location of the fractures and the phase-field function. In addition, this approach has the potential for optimizing well placement/spacing for fluid-filled fracture propagation for oil and gas production and or carbon sequestration and utilization. Using prototype models based on realistic field data, we demonstrate the effects of interactions between existing and propagating fractures in terms of several numerical simulations with different probability thresholds, locations, and numbers of fractures. Our results indicate that propagating fractures interact in a complex manner with the existing fracture network. The modeled propagation of hydraulic fractures is sensitive to the threshold employed within the phase-field approach for delineating fractures.     

Use of stable carbon isotope ratios to determine the source of cypermethrin in so-called natural plant extract formulations used for organic farming

Some natural plant extract formulations (NPEFs, also referred to as essential oils) used in organic farming have been shown to contain synthetic pesticides. We obtained samples of four NPEFs (Muso, Hekiro, Kensogen-Ten, and Nurse Green) that were contaminated with the synthetic pyrethroid cypermethrin, and we used gas chromatography coupled with combustion, cryofocusing, and isotope ratio mass spectrometry to determine the stable carbon isotope ratios (δ¹³C) for the cypermethrin in the four NPEF samples, as well as in ten cypermethrin reagents and two commercial pesticide formulations (Agrothrin emulsion and Agrothrin water-dispersible powder). Our goal was to identify the source of the cypermethrin in the NPEFs. Cryofocusing markedly sharpened the cypermethrin peak and thus improved the accuracy and precision of the determined δ¹³C values. The δ¹³C values (±?SD) of the 16 cypermethrin samples ranged from ?28.3?±?0.2 to ?24.5?±?0.2?‰. Surprisingly, the four NPEFs showed similar δ¹³C values (?26.8 to ?27.3?‰), suggesting that the cypermethrin in all the samples came from the same source (either the same chemical reaction or the same primary material). This possibility was supported by previously published results. In addition, the δ¹³C values of the two commercial pesticides were similar to the values for the NPEFs, suggesting that the commercial pesticides had been diluted and sold as NPEFs.     

正交异性复合材料储液容器入水过程数值分析

采用多物质ALE流固耦合算法,对柔性储液容器的入水问题进行了仿真研究。该方法可以方便地考虑多种流体同时与结构耦合。首先,通过模拟平板恒速入水试验,验证了该方法的有效性,并确定了空气的影响。进而,仿真分析了复合材料柔性容器入水时的动态响应行为,结果表明,底部"空气垫"及容器内空气对冲击载荷具有一定的缓冲作用,容器底部形状、储液量等因素也具有较大影响。仿真得到的响应规律为容器的优化设计提供了重要的理论参考。     

Deformation of thin straight pipes under concentrated forces or prescribed edge displacements

The purpose of this paper is to present an efficient analytic method for obtaining the deformation of thin straight pipes, subjected to prescribed edge displacements or concentrated loads.The approach uses the mixed formulation where unknown functions are combined with trigonometric terms. A variational procedure is used to obtain the system of ordinary differential equations. For the applied load a Fourier approach is used to represent the load as an analytical function. For the prescribed displacement, three solutions for the ovalization are evaluated and a method based on energy contribution of each term is used to obtain their superposition.In contrast to finite element method the proposed method is efficient and can be applied to other boundary condition problems leading to continuous displacement and stress fields with a low number of unknowns. Comparisons with experimental and finite element procedures show good agreement that enhances the merits of the analytical solutions proposed.The value of this method is based on solving the differential equations rather than using commercial codes. So far, the solution of prescribed edge displacements has been limited to one term. This paper discusses how to add further terms using the mixed formulation, thus, presenting a novel procedure.     

Theoretical studies on the electronic and optical properties of arene‐ versus fluoroarene‐thiophene co‐oligomer

A series of regiochemically varied and core size extension‐modulated arene‐ and fluoroarene‐thiophene co‐oligomers and the unsubstituted sexithiophene α6T were investigated theoretically to explore their electronic and optical properties. These phenylene‐thiophene oligomers show great potential for application in organic light‐emitting diodes (OLEDs), organic diode lasers, and organic thin‐film transistors (OTFTs) because of their feasible tuning of optical and electronic properties by the various structural tunings. Density functional theory (DFT) and the ab initio HF were employed to investigate the geometric and electronic structures of the oligomers in the ground state, and the singles configuration interaction (CIS) methods were used to study the lowest singlet excited state. The lowest excitation energies (E_gs), the radiative lifetime τ, and the maximal absorption/emission wavelength of the oligomers were studied within time‐dependent DFT (TDDFT). All calculations were performed using the 6‐31G(d) basis set. The results show that the HOMOs, LUMOs, energy gaps, ionization potentials (IPs), electron affinities (EAs), and reorganization energies are significantly affected by the various structural tunings in these co‐oligomers, which is important for the improvement of the hole and electron injection into OLEDs. Interestingly, the LUMO energy of 1b , 2b , and 3b is lower than that of α6T and 1a , 2a , 3a by about 0.12 ～ 0.47 eV, indicating that the fluorophenyl‐substitution has significantly improved the electron injection properties of the oligomers. Copyright © 2008 John Wiley & Sons, Ltd.     

Open and traction boundary conditions for the incompressible Navier–Stokes equations

We present numerical schemes for the incompressible Navier–Stokes equations (NSE) with open and traction boundary conditions. We use pressure Poisson equation (PPE) formulation and propose new boundary conditions for the pressure on the open or traction boundaries. After replacing the divergence free constraint by this pressure Poisson equation, we obtain an unconstrained NSE. For Stokes equation with open boundary condition on a simple domain, we prove unconditional stability of a first order semi-implicit scheme where the pressure is treated explicitly and hence is decoupled from the computation of velocity. Using either boundary condition, the schemes for the full NSE that treat both convection and pressure terms explicitly work well with various spatial discretizations including spectral collocation and C⁰ finite elements. Moreover, when Reynolds number is of O(1) and when the first order semi-implicit time stepping is used, time step size of O(1) is allowed in benchmark computations for the full NSE. Besides standard stability and accuracy check, various numerical results including flow over a backward facing step, flow past a cylinder and flow in a bifurcated tube are reported. Numerically we have observed that using PPE formulation enables us to use the velocity/pressure pairs that do not satisfy the standard inf–sup compatibility condition. Our results extend that of Johnston and Liu [H. Johnston, J.-G. Liu, Accurate, stable and efficient Navier–Stokes solvers based on explicit treatment of the pressure term. J. Comp. Phys. 199 (1) (2004) 221–259] which deals with no-slip boundary conditions only.     

The mixed problem for degenerate elliptic equations of second order

The present paper deals with the mixed boundary value problem for elliptic equations with degenerate rank 0. We first give the formulation of the problem and estimates of solutions of the problem, and then prove the existence of solutions of the above problem for elliptic equations by the above estimates and the method of parameter extension. We use the complex method, namely first discuss the corresponding problem for degenerate elliptic complex equations of first order, afterwards discuss the above problem for degenerate elliptic equations of second order.     

光突发交换边缘路由器性能分析

本文详细分析了各种因素对光突发交换边缘路由器的性能的影响.结果显示,不同服务等级的时延要求可以通过控制组装的最大时延得以保证;不同等级数据包长的大范围变动会导致信道分配的不公平性;边缘节点越多,丢包率越高;在总输出容量一定的情况下,增加输出数据信道数可以在获得低的丢包率的同时达到较高的通道利用率,但随着边缘节点数的增加,增加输出信道数对丢包率的改善作用下降.     

Porous film fabricated by a thermoresponsive polymer poly(N-isopropylacrylamide-co-butylmethacrylate) with enhanced hydrophobicity

In this paper, two charge-neutral and poorly water-soluble bactericides (BC), hexaconazole and triadimenol, were first encapsulated in micelles derived from anionic surfactant, calcium dodecylbenzenesulfonate (DBS), and then were successfully intercalated into the gallery of Mg–Al layered double hydroxides (LDHs) by using ion exchange, coprecipitation and reconstruction methods, respectively, to obtain BC–LDHs nanohybrids. The loading amounts of hexaconazole-LDHs nanohybrids are obviously higher than those of triadimenol-LDHs nanohybrids. The release kinetics of bactericides from the nanohybrids was investigated. It was found that the bactericide release kinetic processes of the nanohybrids can be described with pseudo-second-order model. The initial release rates and equilibrium percent releases of the nanohybrids are obviously dependent of synthesis methods. The nanohybrids can well control the release of bactericides, showing they are a potential pesticide controlled-release formulation.