锂离子电池LiTi_(0.25)Fe_(0.75)SO_4F正极材料的电子结构

采用密度泛函理论平面波赝势的方法,计算了LiFeSO_4F和LiTi_(0.25)Fe_(0.75)SO_4F正极材料的电子结构。计算结果表明:当锂嵌入材料后,S、O和F的原子布居变化较小,电子主要填充在过渡金属的3d轨道,导致过渡金属被还原,成为电化学反应的活性中心。在嵌锂态中,锂和氧(氟)之间形成了离子键,而过渡金属(Ti和Fe)与氧(氟)之间则形成了共价键,S-O键的共价性最强。态密度的计算结果则表明:Ti和Fe均保持高自旋排列结构;LiFeSO_4F的两个自旋通道的带隙分别为2.88和2.29 e V,其导电性很差;Ti掺杂使体系的带隙消失,显著地提高了正极材料的导电性;LiTi_(0.25)Fe_(0.75)SO_4F系统中Ti-O和Ti-F键均比纯相中的Fe-O和Fe-F键的共价性更强,因此Ti掺杂材料具有更好的结构稳定性。     

Driving the photoluminescent and structural properties of X2-Y2SiO5 by varying the dopant Dy3+ concentration towards cool WLED applications

Dy³⁺ doped Y₂SiO₅ nanophosphors were synthesized by solution combustion technique using Calotropis gigantean milk latex and NaCl as fuel and flux respectively. Powder X-ray diffraction (PXRD) confirmed the formation of monoclinic X₂-phase Y₂SiO₅ belonging to the phase group C₂/c. Fourier transform infrared spectroscopy (FTIR) shows characteristic metal–oxygen (Y–O) vibration band at 721 cm⁻¹. Transmission electron microscopic (TEM) and Scanning electron microscopic (SEM) morphological feature exhibits non-uniform almost spherical shaped nanosized particles. The photoluminescence (PL) emission peaks, recorded at 388 nm, showed radiative emissions at 483, 575 and 636 nm respectively. Judd–Ofelt (JO) analysis was carried out to estimate the radiative (A_R) properties, radiative life time (τ_R), branching ratio (β_R) and stimulated emission crossection (σλ_p). The CIE and CCT was estimated using McCamy empirical formula. In the beginning, the CIE co-ordinate values were lying in the light blue region. However, with increase in Dy³⁺ concentration the values shifted towards white region. CCT value was found to be ∼6984 K. Therefore, Y₂SiO₅:Dy³⁺ (9 mol%) can be used for cool day light and WLED applications.     

Analysis of an elasto-piezoelectric system of hemivariational inequalities with thermal effects

In this paper we prove the existence and uniqueness of a weak solution for a dynamic electo-viscoelastic problem that describes a contact between a body and a foundation. We assume the body is made from thermoviscoelastic material and consider nonmonotone boundary conditions for the contact. We use recent results from the theory of hemivariational inequalities and the fixed point theory.     

平面应变状态下不可压缩幂硬化蠕变材料中刚性片状夹杂的奇异场和局部解

本文采用Williams特征展开方法结合Lee伪应力函数方法得到了平面应变状态下不可压缩幂硬化蠕变材料中刚性片状夹杂物的奇异场和局部解.研究发现,夹杂物尖端的应力奇性为r~(-m/2),与幂硬化指数m有关;而应变奇性为r~(-1/2),与幂硬化指数无关.本文通过选择积分路径给出了近尖的局部解,并用显函数的形式给出了近尖应力和位移的角变化.     

Stability of shells of revolution made of a damageable nonlinear elastic material

The problem of bifurcation instability of shells of revolution made of a nonlinear elastic material progressively damaged under loading is formulated and solved __________ Translated from Prikladnaya Mekhanika, Vol. 43, No. 5, pp. 35–45, May 2007.     

QUALITATIVE ANALYSIS OF DYNAMICAL BEHAVIOR FOR AN IMPERFECT INCOMPRESSIBLE NEO-HOOKEAN SPHERICAL SHELL

IntroductionIn applications, it is commonly considered that the phenomena of cavity formation,growth and run-through of adjacent cavities occur in materials as precursors to failure. Thesephenomena are mainly due to instability of materials. On the other …     

A Cosserat shell model for interphases in elastic media

This study is concerned with the modeling of interphases in elastic media in general, and in composite materials in particular. The aim is to replace a boundary value problem consisting of a three-phase configuration, say that of fiber-interphase-matrix, by a simpler problem which involves the fiber and matrix only, plus certain matching conditions which simulate the interphase. The simplest of such known representations replaces a thin interphase by a “perfect contact interface” (a single surface) across which the displacements and tractions are assumed to be continuous. Another classical model replaces a thin and soft interphase by a “spring-type interface”, across which the tractions are continuous, but the displacement field undergoes a discontinuity. In the present paper, a Cosserat shell model of the interphase is derived which successfully models the original interphase in a unified manner, for the full range of its material parameters relative to those of the neighboring media. The model is derived in the setting of three-dimensional linear elasticity with small deformations and displacements. Comparisons with an existing exact solution of a coated fiber in an infinite matrix show that it performs extremely well even for moderately thick interphases.     

Axisymmetric bifurcation analysis in soils by the tangential-subloading surface model

This article discusses localized bifurcation modes corresponding to shear band formation and diffuse bifurcation modes corresponding to bulge formation for cylindrical soil specimen subjected to an axisymmetric load under undrained conditions. We employ the tangential-subloading surface model, which exhibits the characteristic regimes of the governing equations: elliptic, hyperbolic and parabolic. Also, conditions for shear band formation, shear band inclination, diffuse bulging formation, and the long and short wavelength limits of diffuse bulging modes are discussed in relation to material properties and their state of stress, i.e. the stress ratio and the normal-yield ratio. Tangential-plastic strain rate term is required for the analyses of shear band and diffuse bulging. The shear band and the diffuse bulging are generated in not only normal-yield but also subyield states and they are severely affected by the normal-yield ratio describing the degree of approach to the normal-yield state.     

Paradoxical Bending Behavior of Shearable Nonlinearly Elastic Rods

In nonlinear elasticity the exact geometry of deformation is combined with general constitutive relations. This allows a very sophisticated interaction of deformations in different material directions. Based on the Cosserat theory for planar deformations of nonlinearly elastic rods we demonstrate some paradoxical bending effects caused by a nontrivial interaction of extension, flexure, and shear. The analytical results are illustrated by numerical examples.     

An optimisation method for separating and rebuilding one-dimensional dispersive waves from multi-point measurements. Application to elastic or viscoelastic bars

When using a classical SHPB (split Hopkinson pressure bar) set-up, the useful measuring time is limited by the length of the bars, so that the maximum strain which can be measured in material testing applications is also limited. In this paper, a new method with no time limits is presented for measuring the force and displacement at any station on a bar from strain or velocity measurements performed at various places on the bar. The method takes the wave dispersion into account, as must inevitably be done when making long time measurements. It can be applied to one-dimensional and single-mode waves of all kinds propagating through a medium (flexural waves in beams, acoustic waves in wave guides, etc.). With bars of usual sizes, the measuring time can be up to 50 times longer than the time available with classical methods. An analysis of the sensitivity of the results to the accuracy of the experimental data and to the quality of the wave propagation modelling was also carried out. Experimental results are given which show the efficiency of the method.