铁电材料的本构关系及相关问题研究进展

铁电材料以其力电耦合性能而在传感器、智能材料与结构等诸多领域获得广泛地应用．铁电材料的本构关系也因此成为研究热点．本文对铁电材料的本构关系以及与之相关的细观力学研究方法、宏观唯象研究方法、宏细观相结合的研究方法等问题的国内外研究进展作了一简要的评述．      

Multilayers consisting of oriented charged α-helical polypeptides

Polyelectrolyte Multilayers (PEMs) consisting of cationic α-helical poly(L-lysine) (PLL) and optionally anionic poly(vinysulfate) (PVS) (i) or α-helical poly(L-glutamic acid) (PLG) (ii) were deposited at substrates texturized by parallel nanoscopic surface grooves, respectively. Using dichroic Attenuated Total Reflexion Fourier Transform Infrared (ATR-FTIR) spectroscopy the consecutive deposition, conformation and macromolecular order of stiff polyelectrolytes within PEMs were studied. From the dichroic ratios of the Amide I and Amide II bands order parameters S ⩾ 0.6 (S = 1 for high, S = 0 for low order) were obtained suggesting a significant alignment of charged α-helical polypeptides in PEMs. For the PEM consisting of PLL/PVS the deposited amount as well as the order parameter S significantly depended on the molecular weight (contour length) of PLL. Furthermore, the related opening angle γ of a model cone consisting of α-helical PLL rods was proven to be a function of both contour length and width of the confining surface grooves. AFM pictures on PEM-PLL/PVS showed anisotropically oriented worm-like structures As a second system PEMs of PLL and PLG, both in the α-helical conformation, are introduced. A high order parameter of both spectroscopically indistinguishable polypeptides was found. A model of aligned rod/coil (i) and rod/rod (ii) structures was proposed. Finally, multilayers of stiff conductive polymers like polyaniline (PANI) alternating with poly(acrylic acid) (PAC) are introduced. Preliminary results on their deposition and alignment are given.     

Measurement of Granule Attrition and Fatigue in a Vibrating Box

This paper describes a new test machine that has been designed to measure the strength of single particles in the size range of 10²–10³ μm. The device is a vibrating box that subjects each particle in the sample to a large number of impacts of known but variable strength. By tracking the size and shape of the particles as a function of the number of impacts, their strength characteristics against the mechanisms of fracture, fatigue and attrition can be differentiated. The number of particles tested in one sample is restricted in order to make any particle‐particle interaction negligible but is sufficiently large that the distribution of these characteristics can be determined.     

Planar dynamics of inclined curved flexible riser carrying slug liquid–gas flows

Flexible risers transporting hydrocarbon liquid–gas flows may be subject to internal dynamic fluctuations of multiphase densities, velocities and pressure changes. Previous studies have mostly focused on single-phase flows in oscillating pipes or multiphase flows in static pipes whereas understanding of multiphase flow effects on oscillating pipes with variable curvatures is still lacking. The present study aims to numerically investigate fundamental planar dynamics of a long flexible catenary riser carrying slug liquid–gas flows and to analyse the mechanical effects of slug flow characteristics including the slug unit length, translational velocity and fluctuation frequencies leading to resonances. A two-dimensional continuum model, describing the coupled horizontal and vertical motions of an inclined flexible/extensible curved riser subject to the space–time varying fluid weights, flow centrifugal momenta and Coriolis effects, is presented. Steady slug flows are considered and modelled by accounting for the mass–momentum balances of liquid–gas phases within an idealized slug unit cell comprising the slug liquid (containing small gas bubbles) and elongated gas bubble (interfacing with the liquid film) parts. A nonlinear hydrodynamic film profile is described, depending on the pipe diameter, inclination, liquid–gas phase properties, superficial velocities and empirical correlations. These enable the approximation of phase fractions, local velocities and pressure variations which are employed as the time-varying, distributed parameters leading to the slug flow-induced vibration (SIV) of catenary riser. Several key SIV features are numerically investigated, highlighting the slug flow-induced transient drifts due to the travelling masses, amplified mean displacements due to the combined slug weights and flow momenta, extensibility or tension changes due to a reconfiguration of pipe equilibrium, oscillation amplitudes and resonant frequencies. Single- and multi-modal patterns of riser dynamic profiles are determined, enabling the evaluation of associated bending/axial stresses. Parametric studies reveal the individual effect of the slug unit length and the translational velocity on SIV response regardless of the slug characteristic frequency being a function of these two parameters. This key observation is practically useful for the identification of critical maximum response.     

Effects of void shape and orientation on the elastoplastic properties of spheroidally voided single-crystal and nanotwinned copper

ABSTRACT

Void nucleation, growth and coalescence have been identified as the leading cause of ductile damage in metallic materials. To understand the underlying deformation and damage mechanisms, extensive theoretical, experimental and simulation efforts have been attempted on spherically voided metals. In this work, molecular dynamics simulations are performed to analyze the uniaxial straining deformation behaviours of both single-crystal and nanotwinned copper materials embedded with a preexisting spheroidal void. The coupling effects among twin boundary, spheroidal void aspect ratio and orientation on unidirectional elastoplastic behaviours are systematically examined. The dislocation-induced plastic deformation mechanism is also examined and compared with the one due to a perfectly spherical cavity. Simulation results show that elastic modulus increases with both spheroidal void aspect ratio and orientation. So do the yield stress, the first peak stress and the plasticity index. Another peak stress exists for most cases, except for a prolate void embedded in nanotwinned specimens. The slope between peak stresses decreases with both the spheroidal aspect ratio and orientation. The incorporation of a twin boundary results in lower elastic modulus, higher yield strength and smaller plasticity index. For an oblate void, the twin boundary gives rise to more severe strain softening behaviour. The dislocation extraction algorithm illustrates that the continuous nucleation, propagation and reaction of dislocations emanated from both the void front and twin boundary are responsible for the ductile damage of spheroidally voided crystals. The lower dislocation densities found in nanotwinned specimens indicate the desired suppression effects of twin boundary on dislocation activities.     

A Modified Sequential Deposition Route for High-Performance Carbon-Based Perovskite Solar Cells under Atmosphere Condition

Carbon-based hole transport material (HTM)-free perovskite solar cells have exhibited a promising commercialization prospect, attributed to their outstanding stability and low manufacturing cost. However, the serious charge recombination at the interface of the carbon counter electrode and titanium dioxide (TiO₂) suppresses the improvement in the carbon-based perovskite solar cells’ performance. Here, we propose a modified sequential deposition process in air, which introduces a mixed solvent to improve the morphology of lead iodide (PbI₂) film. Combined with ethanol treatment, the preferred crystallization orientation of the PbI₂ film is generated. This new deposition strategy can prepare a thick and compact methylammonium lead halide (MAPbI₃) film under high-humidity conditions, which acts as a natural active layer that separates the carbon counter electrode and TiO₂. Meanwhile, the modified sequential deposition method provides a simple way to facilitate the conversion of the ultrathick PbI₂ capping layer to MAPbI₃, as the light absorption layer. By adjusting the thickness of the MAPbI₃ capping layer, we achieved a power conversation efficiency (PCE) of 12.5% for the carbon-based perovskite solar cells.     

化学结构变化对刚棒状环氧树脂相行为和热力学性能的影响

用线性酚醛树脂(PN)和4-氨基苯基氨基砜(SAA)作为固化剂, 与刚性棒状环氧树脂联苯环氧(DGEBP)、四甲基联苯环氧(DGETMBP)和传统双酚A环氧树脂(DGEBA)分别进行固化. 研究了固化剂和环氧树脂化学结构的改变对热固网络相行为和热力学性能的影响. 结果表明, 刚性环氧网络比传统的DGEBA具有更好的热力学性能. DGEBP可形成不同类型的取向网络, 而取向态的类型也直接影响了热固网络的热力学性能. 用扫描电镜(SEM)观察不同网络体系的断裂面结构, 发现取向的刚性棒状环氧网络的断裂面呈韧性断裂, 而其它无定形环氧网络则呈典型的脆性断裂.     

Robust Multi-D Transport Schemes with Reduced Grid Orientation Effects

In this paper we investigate truly multi-D upwind schemes for simulating adverse mobility ratio displacements in porous media. Due to an underlying physical instability at the simulation scale, numerical results are highly sensitive to discretization errors and hence the orientation of the underlying computational grid. We use modified equations analysis to predict preferred flow angles on structured grids for several popular methods and present a conservative, multi-D framework for designing positive upwind schemes for general velocity fields. After placing the common schemes in this framework, we go on to develop a novel scheme with “minimal” constant transverse (cross-wind) diffusion. Results for miscible gas injection into homogeneous and heterogeneous media demonstrate that truly multi-D schemes, and in particular our new scheme, greatly reduce grid orientation effects and numerical biasing as compared to dimensional upwinding.     

Recent experimental probes of shear banding

Recent experimental techniques used to investigate shear banding are reviewed. After recalling the rheological signature of shear-banded flows, we summarize the various tools for measuring locally the microstructure and the velocity field under shear. Local velocity measurements using dynamic light scattering and ultrasound are emphasized. A few results are extracted from current works to illustrate open questions and directions for future research.

Direct and mediated electron transfer catalyzed by anionic tobacco peroxidase

The properties of anionic tobacco peroxidase (TOP) adsorbed on graphite electrode have been studied in direct and mediated electron transfer in a wall-jet flow injection system. The percentage of tobacco peroxidase molecules active in directelectron transfer is about 83%, which is higher than that for horeradish peroxidase (40–50%). This observation is explained in terms of the lower degree of glycosylation of TOP compared with horseradish peroxidase and, therefore, a reduced in terference from the oligosaccharide chains with direct electron transfer. Calcium ions cause an 11% drop in the reaction rate constant toward hydrogen peroxide. The detection limit of calcium chloride has been estimated as 5 m M. The results obtained by means of bioeletrochemistry, stopped-flow kinetics, and structural modeling provide evidence for the interaction between calcium cations and negatively charged residues at the distal domain (Glu-141, heme propionates, Asp-79, Asp-80) blocking the activesite. The observation that both soluble and immobilized enzyme under go conformational changes resulting in the blockade of the active site indicates that the immobilized enzyme preserves conformational flexibility. An even stronger suppressing effect of calcium ions on the rate constant for mediated electron transfer was observed. In the case of direct electron transfer, this couldmean that there is nodirect contact between the electrode and the active site of TOP. The electrons are shuttled from the active site to the surface of the electrode through electron transfer pathways in the protein globule that are sensitive to protein conformational changes.