La替代Mm对低钴AB5型贮氢合金电化学性能的影响

用XRD和SEM测试了稀土基低钻AB5型LaxMm1-x（NiMnSiAlFe）4．7Co0.2（x=0,1）贮氢合金的微观结构，并全面测试了合金在铸态及快淬态下的电化学性能。研究了La替代Mm对铸态及快淬态低钻贮氢合金微观结构及电化学性能的影响。对合金的电化学性能研究结果表明：La替代Mm使合金的放电容量提高，并使铸态合金的循环寿命由341次提高到370次；La替代Mm使得快淬态合金的循环寿命的增加幅度较小，主要原因是La替代Mm使快淬态合金的晶粒粗化。微观结构测试结果表明：La替代Mm使合金中的第二相消失，并使合金的晶格常数在a轴方向增加，在c轴方向略有减小，晶胞体积增大，这是La替代Mm使合金放电容量提高的主要原因。     

Grain boundary effect on electron-beam-induced current in La3Ga5.5Ta0.5O14 crystal

La₃Ga_5.5Ta_0.5O₁₄ crystal recently attracted more attention due to its superior electromechanical properties and high Q × f product. We report that the first electron-beam-induced current experiment on La₃Ga_5.5Ta_0.5O₁₄ single crystal. This method is employed to study the effect of the crystal's grain boundary on the incident electron beam. The experimental results clearly show that when the electron beam scans over the grain boundary of the crystal, a fraction of the carriers recombine at the grain boundary and is unavailable for the current generation. This recombination rate will be enhanced when the electron beam was close to the boundary and cause a dip in the collected current. Although the crystal is an insulator, this effect still can be observed if the coating metal is proper to be chosen. It is also pointed out that the different diffusion lengths of the crystal might be due to the tilted grain boundary.     

Large molecular dynamics simulations of collision cascades in single-crystal, bi-crystal, and poly-crystal UO2

Classical molecular dynamics simulations have been carried out to study the primary damage due to α-decay self-irradiations in single-, bi-, and poly-crystal UO₂ matrices. In all the cases no amorphization has been found, only the creation of few point defects is observed. However, in all grain boundary systems numerous point defects are created along the interfaces. Furthermore, cascade morphologies depend strongly on the grain boundary structure. For symmetrical tilt grain boundaries with small misorientation angles (lower than 20°) the structure at the grain boundaries is composed of edge dislocations, whereas for higher misorientation angles is formed by Schottky defects. The grain boundary structure in the poly-crystal is found to be highly disordered. For the last two systems, cascades seem stopped by the interfaces unlike those with edge dislocation grain boundaries. These types of interface act like sink which traps moving atoms.     

Effect of thermo-mechanical processing on microstructure and creep properties of the foils of alloy 617

The effect of rolling and annealing on the microstructure and high temperature creep properties of alloy 617 were investigated. Two types of foil specimens with different thickness reductions were prepared by thermo-mechanical processing. Recrystallization and grain growth were readily observed at specimens annealed at 950 and 1100 °C. The uniform coarse grains increase resistance against creep deformation. The grain size effect in creep deformation was dominant up to 900 °C, while dynamic recrystallization effect became dominant at 1000 °C. Dynamic recrystallization was observed in all the creep deformed foils, even though some specimens had already been (statically) recrystallized during annealing. Steady state creep rates decreased with increasing annealing temperature in the less rolled foils. The apparent activation energy Q_app for the creep deformation increased from 271 to 361 kJ/mol as the annealing temperature increased from 950 to 1100 °C.     

Thermal transport properties of uranium dioxide by molecular dynamics simulations

The thermal conductivities of single crystal and polycrystalline UO₂ are calculated using molecular dynamics simulations, with interatomic interactions described by two different potential models. For single crystals, the calculated thermal conductivities are found to be strongly dependent on the size of the simulation cell. However, a scaling analysis shows that the two models predict essentially identical values for the thermal conductivity for infinite system sizes. By contrast, simulations with the two potentials for identical fine polycrystalline structures yield estimated thermal conductivities that differ by a factor of two. We analyze the origin of this difference.     

Tensile behavior of Al−4%Mg−0.4%Sc−0.5% misch metal alloy at room temperature

The effects of strain rate and pre-deformation in Al−4 wt.%Mg−0.4 wt.%Sc−0.5 wt.%Mm (misch metal) alloy on tensile behavior and P-L effect have been investigated. Pre-deformation of Al−4 wt.%Mg−0.4 wt.%Sc−0.5 wt.%Mm alloy clearly enhances the yield strength and ultimate strength, though it decreases the fracture strain. The yield strength of pre-deformed Al−4 wt.%Mg−0.4 wt.%Sc−0.5 wt.%Mm alloy is higher than that of commercially used Al−Mg based alloys. The strength of Al−4 wt.%Mg−0.5 wt.%Sc−0.5 wt.%Mm alloy was changed slightly at a strain rate between 2×10⁻⁵s⁻¹ and 2×10⁻³s⁻¹, but changed significantly when predeformation was introduced. Tensile test results of as-cast Al-4 wt.%Mg-0.4 wt.%Sc-0.5 wt.%Mm alloy show a significant oscillation of serration during deformation at room temperature, and the critical strain (ε _c ), which is the strain at the start of serration, decreases with increasing strain rate. Pre-deformation of Al−4wt%Mg−0.4wt%Sc−0.5wt%Mm also affects the serration oscillation: it decreases the critical strain at lower strain rate and increases it at higher strain rate (>2×10⁻⁴s⁻¹).     

宽温型AB5储氢合金结构及其电化学性能研究

用高频感应熔炼法制备了Mm(NiCoAlMn)5储氢合金,采用模拟电池法测试了合金在238～323 K温度范围内的活化、放电容量和高倍率放电性能.结果表明:制备合金为典型AB5型储氢合金,303K温度条件下吸氢量达到1.38％(质量分数),氢化物生成焓为32.36 kJ ·mol-1H2.合金电极的活化性能、放电容量和高倍率性能受温度影响显著.室温预活化可有效改善电极的低温性能,经室温预活化后合金电极在238 K最大放电容量达到336 mAh·g -1,明显高于未经室温预活化的最大放电容量25 mAh·g-1.Mm(NiCoMn)5贮氢合金电极的高倍率性能随着温度的升高先升高后降低,273和303 K温度条件下合金保持高倍率性能良好,3C放电电流密度条件下容量保持率均高于80％;238 K温度条件下合金的大电流放电性能急剧降低,1C放电电流密度条件下容量保持率仅为10％; 273 K下合金电极的综合性能最佳,最大放电容量达到340 mAh·g-1,300 mA·g-1放电电流密度下的高倍率放电比率为86％.循环伏安法测试证实,在238～323 K范围内,电极的氧化峰峰值电流(Ip)与扫描速度的平方根(v1/2)之间均存在良好的线性关系,整个电极反应受氢原子扩散控制;随着温度的降低氢扩散系数急剧下降,从而导致该合金电极的低温高倍率放电性能变差.由Arrhenius公式计算出合金中的氢扩散活化能为10.56 kJ·mol -1.     

Grain boundary influence on displacement cascades in UO2: A molecular dynamics study

The influence of grain boundaries on the primary damage state created by a recoil nucleus in UO₂ matrix is studied here by molecular dynamics simulations. This study is divided in two steps: (1) the study of the structural properties of several symmetrical tilt boundaries for different misorientation angles ranging from 12.7° to 61.9°; and (2) the study of displacement cascades near these grain boundaries. For all the grain boundaries studied, the structure around the interface up to about 2 nm presents a perturbed but stable fluorite lattice. The type of defect at the interface depends directly on the value of the misorientation angles. For the small angles (12.7° and 16.3°) the interface defects correspond to edge dislocations. For higher misorientation angles, a gap of about 0.3 nm exists between the two halves of the bicrystal. This gap is composed of Schottky defects involving numerous vacancies along the interface. About 10 keV displacement cascades were initiated with an uranium projectile close to the interface. In all the cases, numerous point defects are created in the grain boundary core, and the mobility of these defects increases. However, cascade morphologies depend strongly on the grain boundary structure. For grain boundaries with edge dislocations, the evolution of the displacement cascades is similar to those carried out in monocrystals. On the other hand, cascades initiated in grain boundaries with vacancy layer defects present an asymmetry on the number of displaced atoms and the number of point defects created.     

Mg-50％Mm（NiCoMnAl）5复合材料的储氢性能

采用机械合金化制备出Mg-50％Mm(NiCoMnAl)5(质量分数，下同)复合材料，对其吸氢过程热力学、动力学研究发现：该复合材料退火后不需要活化，在250℃、0．16MPa时的吸氢量为3．53％，α-β相区退火前后的反应速度分别为3．13％／min，5．83％／min，具备良好的动力学性能。采用XRD衍射测试和分析机械合金化后产物的物相结构，实验证明：物相组成为Mm2Mg17和Mm(NiCoMnAl)5，混合粉末经过机械合金化后，晶粒细化，增加了固态扩散能力，有利于固相反应的进行，从而改善材料的氢化性能。     

Studies on the growth, structural, optical, mechanical properties of 8-hydroxyquinoline single crystal by vertical Bridgman technique

Single crystal of organic nonlinear optical material, 8-hydroxyquinoline (8-HQ) of dimension 52 mm (length) × 12 mm (dia.) was grown from melt using vertical Bridgman technique. The crystal system of the material was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. Low angular spread around 400″ of the diffraction curve and the low full width half maximum values show that the crystalline perfection is reasonably good. The recorded photoluminescence spectrum shows that the material is suitable for blue light emission. Optical transmittance for the UV and visible region was measured and mechanical strength was estimated from Vicker's microhardness test along the growth face of the grown crystal.