The effect of different lattice sites substitution on photoluminescence characteristics of Eu2+/Ce3+ doped M5(ZO4)3X

The empirical formula of Van Uitert is applied to calculating the emission wavelengths of haloapatite and silicon apatite phosphors doped with Eu²⁺/Ce³⁺. The relationship between emission wavelengths and occupied lattice sites of Eu²⁺/Ce³⁺ is discussed in haloapatite crystal. For phosphors of haloapatite and silicon apatite doped with Eu²⁺, the emission bands of the long-wave region are interpreted reasonably. Phosphors Sr₅(PO₄)₂SiO₄ doped with Eu²⁺/Ce³⁺ are synthesized by high temperature solid state reaction under two different atmospheres, the spectral characteristics of Eu²⁺/Ce³⁺ occupying different lattice sites are studied. The luminescent materials Sr₅(PO₄)₂SiO₄ doped with Eu²⁺/Ce³⁺ are promising blue-green phosphors for application in white-LEDs.     

Comments on the article ‘Comparison of calculations for interplanar distances in a crystal lattice’, by Ying Liu,Yue Liu & Michael G. B. Drew

Some statements in the review by Liu et al. [Liu Y, Liu Y, Drew GB. Comparison of calculations for interplanar distances in a crystal lattice. Cryst Rev. 2017] are corrected. The role of metric tensor to simplify calculations of interplanar spacings in crystal lattices is emphasized.     

Comparison of calculations for interplanar distances in a crystal lattice

The derivations for the general formulae of lattice interplanar distances are reviewed along with the methods using elementary geometry, intermediate Cartesian axes, and reciprocal lattice vectors. To highlight the characteristics of these three methods and the connections between them, examples for the simple cases such as orthorhombic, hexagonal, and rhombohedral systems are included. Calculations from reciprocal space are established from those from direct space with heavily involved mathematics for which details are seldom included in crystallography monographs. The only geometric method found in the literature for the interplanar distances in a crystal lattice is derived for a few specific simple cases with cos²α?+?cos²β?+?cos²γ?=?1, where α, β, and γ are the angles between the normal to the plane and the axes of a orthogonal system. However, the geometric method introduced in this work is a newly developed method and this method is complementary to other methods including the advanced contemporary reciprocal method. The connections between Cartesian and crystal coordinate systems, for angular relationships and the volume of unit cell are revealed. The interplanar spacing in non-primitive lattice and crystals are also discussed.     

Development of ultra–low highly active and durable hybrid compressive platinum lattice cathode catalysts for polymer electrolyte membrane fuel cells

A highly active and stable catalyst/support system is developed by using a two-step process. In the first step, activated carbon composite support (ACCS) is synthesized that retains its activity after accelerated stress test (AST). A 30% Pt/ACCS catalyst shows no loss of mass activity and power density after 5000 cycles at 1.0–1.5 V while the commercial Pt/C and Pt/290G catalysts show drastic mass activity losses (57.5% and 66.2%, respectively) and power density losses (88.7% and 84.0%, respectively). In the second step, Pt catalyst with a compressive Pt lattice (Pt¹) is synthesized through a USC-developed annealing procedure in which Co atoms previously embedded in the support diffuse into Pt. The 30% Pt¹/ACCS shows high initial power density (rated) of 0.174 g_Pt kW^?1 and high stability of 24 mV loss at 0.8 A cm^?2 with an electrochemical active surface area (ECSA) loss of 42% after 30,000 cycles (0.6–1.0 V). The support stability under 1.0–1.5 V potential cycling shows potential loss of 8 mV at 1.5 A cm^?2 and ECSA loss of 22% after 5000 cycles. Improved stability and activity of Pt*/ACCS catalyst are due to synergistic effect of catalytic activity and stability of ACCS and formation of compressive Pt lattice catalyst.     

The fracture process in quasi‐brittle materials simulated using a lattice dynamical model

The damage process in quasi‐brittle materials is characterized by the evolution of a micro‐crack field, followed by the joining of micro‐cracks, stress localization and crack instability. In network models, masses are lumped at nodal points which are interconnected by one‐dimensional elements with a bilinear constitutive relation, considering the energy consistency during the simulated process. In order to replicate the material imperfections, to render a realistic behaviour in damage localization, the model has not only random elastic and rupture properties, but also a geometric perturbation. In the present paper 2D plates with different levels of brittleness are simulated. The numerical results are presented in terms of global stress vs strain diagram, final network configuration, energy balance during the process and as geometric damage evolution. Therefore, the predictive potential of the lattice discrete element model to capture fracture processes in quasi‐brittle materials is demonstrated.     

Simulation of Bubble Motion under Gravity by Lattice Boltzmann Method

We describe the numerical simulation results of bubble motion under gravity by the lattice Boltzmann method(LBM), which assumes that a fluid consists of mesoscopic fluid particles repeating collision and translation and a multiphase interface is reproduced in a self-organizing way by repulsive interaction between different kinds of particles. The purposes in this study are to examine the applicability of LBM to the numerical analysis of bubble motions, and to develop a three-dimensional version of the binary fluid model that introduces a free energy function. We included the buoyancy terms due to the density difference in the lattice Boltzmann equations, and simulated single- and two-bubble motions, setting flow conditions according to the Eötvös and Morton numbers. The two-dimensional results by LBM agree with those by the Volume of Fluid method based on the Navier-Stokes equations. The three-dimensional model possesses the surface tension satisfying the Laplace's law, and reproduces the motion of single bubble and the two- bubble interaction of their approach and coalescence in circular tube. These results prove that the buoyancy terms and the 3D model proposed here are suitable, and that LBM is useful for the numerical analysis of bubble motion under gravity.     

Physical metallurgy of concentrated solid solutions from low-entropy to high-entropy alloys

The alloy world could be divided into low-entropy (LEAs), medium-entropy (MEAs) and high-entropy alloys (HEAs) based on the configurational entropy at the random solution state. In HEAs, four core effects, i.e. high entropy, sluggish diffusion, severe lattice distortion and cocktail effects, are much more significant than low-entropy alloys in affecting phase transformation, microstructure and properties. In fact, the degree of the influence from these core effects more or less increases with increased mixing entropy. The trend is gradual from low-entropy alloys to high-entropy alloys. In this article, physical metallurgy of HEAs is discussed with the bridge connected to that of conventional alloys. As disordered and ordered solid solutions are the main constituent phases of alloys, the understanding of solid solutions is fundamental for the understanding of alloys. In addition, as dilute solid solutions have been well treated in current physical metallurgy, concentrated solid solutions from low-entropy to high-entropy alloys are focused in this article. Physical properties are especially emphasized besides mechanical properties.     

基于离散单元法的群楼拆除爆破仿真模拟

基于青岛开发区一商场爆破工程,利用颗粒离散元法建立离散元网格实体模型,用多面体离散元法模拟分析拆除爆破中建筑物的倒塌过程。研发的网格实体模型详细模拟了建筑物从结构局部失稳到整体完全倒塌的整个过程,确定了爆堆轮廓线和爆堆尺寸,直观给出了爆破设计的效果。触地振动、冲击力变化分析结果表明:所给出的爆破方案可达到预期拆除爆破的效果,触地振动符合《爆破安全规程》要求;该模型可优化爆破设计,指导爆破施工,为建筑物拆除爆破的灾害预测与安全评估提供理论依据。     

Integrated study of experiment and first‐principles computation for the characterization of a corium type ZrO8 complex in a Zr‐doped fluorite UO2

We, for the first time, observe ZrO₈ complex in Zr‐doped UO₂, which is a corium structure, using experimental characterization integrated with first‐principle computational validation. Atomic level structure of U_1?yZr_yO₂ pellets (y = 0.01, 0.03, 0.05, and 0.1) is identified using Raman spectroscopy measurement and X‐ray diffraction pattern analysis. The lattice constants shrink with increasing Zr doping levels, which consistently represents in the positive shift of T_2g Raman vibration peak around 445 cm^?1. More interestingly, conventionally unknown new Raman peak appears around 598 cm^?1, which has not been observed in neither a pure ZrO₂ nor UO₂ doped with tetravalent elements other than Zr. We unveil that the new peak originates from ZrO₈‐type complex formed on the fluorite UO₂. Our study provides precise understanding on the formation mechanisms and material properties of the corium in the hypervalent oxide.     

A comparison of different geometrical elements to model fluid wicking in paper-based microfluidic devices

Recently, microfluidic paper-based analytical devices (μPADs) have outstripped polymeric microfluidic devices in the ease of fabrication and simplicity. Surface tension-based fluid motion in the paper's porous structure has made the paper a suitable substrate for multiple biological assays by directing fluid into multiple assay zones. The widespread assumption in most works for modeling wicking in a paper is that the paper is a combination of capillaries with the same diameter equal to the effective pore diameter. Although assuming paper as a bundle of capillaries gives a good insight into pressure force that drives the fluid inside the paper, there are some difficulties using the effective pore radius. The effective pore radius is totally different from the average geometrical pore radius which makes it impossible to predict wicking in μPADs based on geometrical parameters. In this article, we introduce different analytical and numerical models to investigate the possibility of determining the permeability of the paper, based on geometrical parameters rather than effective parameters. The lattice Boltzmann method is used for numerical simulations. The permeability of each of the proposed models was compared with the experimental permeability. Results indicated that assuming paper as a combination of capillaries and annuluses leads to accurate results that totally depend on average geometrical values rather than effective values. This paves the way for prediction of the fluid wicking only by considering average geometrical pore and fiber diameters.