Co掺杂对Nb95W5二元固溶体合金结构和氢渗透性能的影响

合金化是克服第五副族金属(Nb,V,Ta)氢脆问题的有效方法.以Nb-5W为基础成分,探索第三组元(Co)掺杂(X=1,2,3,5)对Nb95-xW5Cox合金结构和氢渗透性能的影响规律.研究证实:制备的Nb95-x-W5Cox样品为Nb-bcc固溶体合金,随着Co掺杂量增加,其晶胞畸变收缩明显,形成贫Co基体区和以N...     

贮氢材料钒基固溶体合金的研究进展

钒基固溶体合金是一类重要的贮氢材料.概述了金属钒的氢化特性,讨论了钒基固溶体合金有效贮氢量低的原因;综述了合金组元及非金属杂质元素对钒基固溶体合金性能的影响,在吸氢主要元素钒基中添加其它元素(Ti、Ni、Cr、Mn、Fe、Hf、Zr、Nb、Co、Al、Si等)有利于提高合金的贮氢性能.     

Al对V-Fe-Ti三元贮氢合金电化学性能的影响

研究了V2.46TiFe0.54Alx(x=0～0.4)贮氢合金的相结构及其电化学性能.XRD分析表明,所有合金均由单一的BCC相结构组成;随Al含量的增加,BCC相的晶格常数逐渐增大.电化学测试结果显示,所有合金电极的放电容量随循环次数的增加均显著降低.由线性极化曲线可以看出,Al基本上对交换电流密度没有影响.经恒电位放电曲线分析表明,氢在合金电极中的扩散系数随Al含量的增加而增大.Al加入后,合金的高倍率放电性能也得到了一定改善.     

MgNi-TiNi0.56M0.44（M=Al、Fe）贮氢合金的制备和电化学性能研究

用机械合金化法制备出MgNi及MgNi-TiNi_0.56M_0.44（M=Al、Fe）复合合金,并研究该系列合金的相结构和电化学性能. XRD结果表明所合成的几种合金均为非晶态;充放电结果表明：MgNi-TiNi_0.56M_0.44（M=Al、Fe）复合合金的初始容量比纯MgNi合金低,但循环寿命有较大的改善,其中MgNi-TiNi_0.56Al_0.44合金放电容量最大,达380.64mAh/g,经50次循环后容量保持率是48.97％;动电位扫描结果表明复合后合金电极的抗腐蚀能力增强;循环伏安法和电化学阻抗谱法研究结果表明：复合后降低了电极表面的电子转移电阻和H原子的扩散阻抗,增强了电极表面的电化学催化性能.     

Mm合金化对Zr基贮氢合金电极性能的影响作用

本文研究探讨Ｍｍ合金化对难活化的ＡＢ２型Ｚｒ－Ｍｎ－Ｎｉ系贮氢合金的晶体结构,电化学容量及贮氢电极活化等特性的影响作用。Ｍｍ合金化加入可从根本上改善Ｚｒ系贮氢合金电极的活化性能。这与Ｍｍ合金化对贮氢电极合颗粒表面化学改性作用以及合金颗粒体内微结构改变等因素有关,ＸＲＤ分析表明Ｍｍ合金化后同氢后金晶体结构仍为Ｃ１５相,且其中的Ｃ１４型Ｌａｖｅｓ相含量明显增加,同时,也发现Ｍｍ合金化恶化了贮氢合金电化     

MgNi-TiNi0.56M0.44（M=Al、Fe）贮氢合金的制备和电化学性能研究

用机械合金化法制备出MgNi及MgNi-TiNi_0.56M_0.44（M=Al、Fe）复合合金,并研究该系列合金的相结构和电化学性能. XRD结果表明所合成的几种合金均为非晶态;充放电结果表明：MgNi-TiNi_0.56M_0.44（M=Al、Fe）复合合金的初始容量比纯MgNi合金低,但循环寿命有较大的改善,其中MgNi-TiNi_0.56Al_0.44合金放电容量最大,达380.64mAh/g,经50次循环后容量保持率是48.97％;动电位扫描结果表明复合后合金电极的抗腐蚀能力增强;循环伏安法和电化学阻抗谱法研究结果表明：复合后降低了电极表面的电子转移电阻和H原子的扩散阻抗,增强了电极表面的电化学催化性能.     

一种氢渗透模型的构建及其在Nb基渗氢合金中的应用

基于Fick第二定律,推导出了一种新的氢渗透数学模型,并成功编制了相应的Matlab计算程序。根据该模型,建立了一种计算Nb基渗氢合金氢扩散系数和溶解系数的新方法;通过对Nb基合金在不同温度下的实例计算,并与实验和文献结果相比较,证实了本模型的可行性和有效性。     

合金化对铌基固溶体合金和铌硅化物基合金室温断裂韧性影响的研究进展

Ti、Cr和Al的添加改变了铌基固溶体合金的弹性常数,从而改变了其点阵位移势(UP-N).采用表面能(γs)与点阵位移势(UP-N)之比可预测合金的室温断裂韧性.Ti的添加降低了点阵位移势、提高了位错的移动能力,从而提高了铌基固溶体合金的室温断裂韧性;而Cr和Al的作用与Ti相反.简要介绍了K.S.Chan等建立的室温断裂韧性计算模型,同时介绍了合金化元素Ti、Mo、Hf和B等对铌硅化物基合金室温断裂韧性的影响.其中Ti、Hf和B的添加能提高铌硅化物基合金的室温断裂韧性.     

Mg、Nb掺杂LiNH2体系解氢性能的机理研究

采用基于密度泛函理论"总体能量赝势平面波方法"的CASTEP总能计算软件包,通过LiNH2晶胞将Li置换成Mg和Nb及其移走H所需能量及几何、电子结构、负合金形成热的计算,发现添加Mg和Nb使LiNH2体系负合金形成热减少,表明体系相结构稳定性变差,预示着解氢能力得到改善。通过电子态密度(DOS)与电子密度的进一步分析发现,添加Mg和Nb提高LiNH2解氢能力的主要原因在于Mg和Nb与其周围的H相互作用不明显,而使NH之间的成键作用减弱,从而提高了LiNH2体系的解氢能力。     

Structure and mechanical properties of as-cast Ti–5Nb–xCr alloys

As-cast Ti–5Nb and a series of Ti–5Nb–xCr with Cr content ranging from 1 to 13 mass% prepared by using a commercial arc-melting vacuum-pressure casting system were investigated. Commercially pure titanium (c.p. Ti) was used as a control. X-ray diffraction (XRD) for phase analysis was conducted with a diffractometer. Three-point bending tests were performed to evaluate the mechanical properties of all specimens. The fractured surfaces were observed by using scanning electron microscopy (SEM). The experimental results indicated that these alloys obviously had different structures and mechanical properties with the addition of various amounts of Cr. When 1 mass% Cr was added, the structure was comprised mainly of the α′ phase, which was also found in Ti–5Nb. With the addition of 3 mass% Cr, α′ and α′′ phases were appeared. When the Cr content was increased to 5 mass% or greater, the β phase was completely retained. Moreover, the ω phase was detected in the Ti–5Nb–5Cr and Ti–5Nb–7Cr alloys. The largest quantity of ω phase and the highest bending modulus were found in the Ti–5Nb–5Cr alloy, while the Ti–5Nb–9Cr alloy had the lowest bending modulus. Moreover, the high strength/modulus ratios of the Ti–5Nb–3Cr (22.5) and Ti–5Nb–9Cr (21.3) alloys demonstrate its advantage for use as implant materials. Also, these two alloys exhibited the better elastic recovery angles of 28.3° in Ti–5Nb–3Cr and 22.2° in Ti–5Nb–9Cr. In the current search for better implant materials, α′ + α′′ phase Ti–5Nb–3Cr and β phase Ti–5Nb–9Cr alloys with low modulus, ductile property, excellent elastic recovery capability and reasonably high-strength seem to be the most feasible alloy for orthopedic and dental applications if some other necessary properties are obtained.     

热处理对Ti35Nb3.7Zr1.3Mo合金的组织与性能影响

依据钛合金相关设计理论设计了低弹性模量、中高强度、良好塑性的新型生物医用近β型Ti35Nb3.7Zr1.3Mo合金,研究了固溶温度和时效温度对合金组织和力学性能的影响。结果表明:随着固溶温度的升高,α相逐渐溶解,合金的强度和弹性模量尚未发生明显变化。在低温时效时析出脆性ω相;随着时效温度升高,逐渐析出α相,且α相逐渐粗化;合金的强度与弹性模量先升高,达到峰值后下降;延伸率先降低后升高。合金经750℃固溶和450℃时效后综合力学性能优良,可以满足生物植入材料力学性能的要求。     

改进固相法制备Li4Ti4.95Nb0.05O12及其性能研究

为提高Li4Ti5O12的导电性和倍率性能,应用二步固相法制备了Nb掺杂的Li4Ti4.95Nb0.05O12负极材料,X射线衍射、扫描电镜、激光粒度分布仪、充放电测试、循环伏安和交流阻抗等测试结果表明,合成的样品具有单一的尖晶石结构和平稳的充放电平台,粒径分布均匀,Nb掺杂改性的Li4Ti5O12具有优良的电化学性能,0.1、0.5、1和10C首次放电比容量分别为174.1、159.7、147和123.3mAh/g。10C下,循环20次后容量保持为118.1mAh/g。     

溶胶-凝胶法制备0.1BiFeO3-0.9SrBi2Nb2O9铁电薄膜的结构和光学性质研究

采用硝酸铋[Bi(NO3)3·5H2O]、硝酸锶[Sr(NO3)2]、硝酸铁[Fe(NO3)3·9H2O]和乙醇铌[Nb(OC2H5)5]作为起始原料,乙二醇甲醚[C3H8O2]作为溶剂配制掺Fe的SrBi2Nb2O9前驱体溶液,利用溶胶-凝胶法在石英衬底上制备出0.1BiFeO3-0.9SrBi2Nb2O9铁电薄膜.研究了该薄膜的表面形貌、组分、晶体结构和光学性质.结果表明,经400℃退火后薄膜为非晶结构,而在空气中经600℃退火1h后,沉积的薄膜晶化成钙钛矿结构.制备的薄膜表面平整,颗粒分布均匀,表现出良好的光透过性,该薄膜的光学能隙大约为2.5eV.     

The impact of Ti and temperature on the stability of Nb5Si3 phases: a first-principles study

Abstract

Nb-silicide based alloys could be used at T > 1423 K in future aero-engines. Titanium is an important additive to these new alloys where it improves oxidation, fracture toughness and reduces density. The microstructures of the new alloys consist of an Nb solid solution, and silicides and other intermetallics can be present. Three Nb₅Si₃ polymorphs are known, namely αNb₅Si₃ (tI32 Cr₅B₃-type, D8_l), βNb₅Si₃ (tI32 W₅Si₃-type, D8_m) and γNb₅Si₃ (hP16 Mn₅Si₃-type, D8₈). In these 5–3 silicides Nb atoms can be substituted by Ti atoms. The type of stable Nb₅Si₃ depends on temperature and concentration of Ti addition and is important for the stability and properties of the alloys. The effect of increasing concentration of Ti on the transition temperature between the polymorphs has not been studied. In this work first-principles calculations were used to predict the stability and physical properties of the various Nb₅Si₃ silicides alloyed with Ti. Temperature-dependent enthalpies of formation were computed, and the transition temperature between the low (α) and high (β) temperature polymorphs of Nb₅Si₃ was found to decrease significantly with increasing Ti content. The γNb₅Si₃ was found to be stable only at high Ti concentrations, above approximately 50 at. % Ti. Calculation of physical properties and the Cauchy pressures, Pugh’s index of ductility and Poisson ratio showed that as the Ti content increased, the bulk moduli of all silicides decreased, while the shear and elastic moduli and the Debye temperature increased for the αNb₅Si₃ and γNb₅Si₃ and decreased for βNb₅Si₃. With the addition of Ti the αNb₅Si₃ and γNb₅Si₃ became less ductile, whereas the βNb₅Si₃ became more ductile. When Ti was added in the αNb₅Si₃ and βNb₅Si₃ the linear thermal expansion coefficients of the silicides decreased, but the anisotropy of coefficient of thermal expansion did not change significantly.     

System Cu-Rh-O: Phase diagram and thermodynamic properties of ternary oxides CuRhO2 and CuRh2O4

An isothermal section of the phase diagram for the system Cu-Rh-O at 1273 K has been established by equilibration of samples representing eighteen different compositions, and phase identification after quenching by optical and scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersive analysis of X-rays (EDX). In addition to the binary oxides Cu₂O, CuO, and Rh₂O₃, two ternary oxides CuRhO₂ and CuRh₂O₄ were identified. Both the ternary oxides were in equilibrium with metallic Rh. There was no evidence of the oxide Cu₂Rh₂O₅ reported in the literature. Solid alloys were found to be in equilibrium with Cu₂O. Based on the phase relations, two solid-state cells were designed to measure the Gibbs energies of formation of the two ternary oxides. Yttria-stabilized zirconia was used as the solid electrolyte, and an equimolar mixture of Rh+Rh₂O₃ as the reference electrode. The reference electrode was selected to generate a small electromotive force (emf), and thus minimize polarization of the three-phase electrode. When the driving force for oxygen transport through the solid electrolyte is small, electrochemical flux of oxygen from the high oxygen potential electrode to the low potential electrode is negligible. The measurements were conducted in the temperature range from 900 to 1300 K. The thermodynamic data can be represented by the following equations: {fx741-1} where Δ_f(ox) G ^o is the standard Gibbs energy of formation of the interoxide compounds from their component binary oxides. Based on the thermodynamic information, chemical potential diagrams for the system Cu-Rh-O were developed.     

Investigation of Si-As solid solutions by pulsed laser heating

Si-As supersaturated solid solutions up to 12% atomic concentration have been produced by pulsed IR laser melting of As implanted Silicon single crystal. The conditions for the solidification of a crystalline or an amorphous solution have been clarified and they have been correlated with the solidification velocity and the solid-liquid interface undercooling. Moreover, the T ₀ curve, i.e., the locus of points at which the solid and the liquid phase have equal free energy, has been evaluated by remelting the solid solutions by means of pulsed UV laser irradiations. The conditions for the stability of the amorphous phase have been found.Paper presented at the Second Workshop on Subsecond Thermophysics, September 20–21, 1990, Torino, Italy.     

Thermodynamic analysis of nanocrystalline solid solutions formation in copper-lead-tin ternary immiscible system during mechanical alloying

In this paper, copper-15 wt.%-lead-1 wt.%-tin (Cu-15wt %Pb-1wt %Sn), copper-15 wt.%-lead-2 wt.%-tin (Cu-15wt %Pb-2wt %Sn) and copper-15 wt.%-lead-3 wt.%-tin (Cu-15wt %Pb-3wt %Sn) powder mixtures were mechanically alloyed in order to study the solid solubility extension during the alloying process. Nanocrystalline supersaturated solid solutions have been prepared in copper-lead-tin (Cu−Pb−Sn) ternary immiscible system by mechanical alloying (MA). Based on the thermodynamic model, the Gibbs free energy changes in these alloys during the formation of solid solutions are calculated to be positive, which means that there are no driving force to form solid solutions in copper-lead-tin ternary immiscible system. It was found that a large fraction of grain boundaries and a high density of dislocations play a significant role in the solid solubility extension in copper-lead-tin ternary immiscible system.