Eleetronie Structures and Bonding Properties of Ti2AlC and Ti3AlC2

The relation among electronic structure, chemical bond and property of Ti2AlC, Ti3AlC2 and doping Si into Ti2AlC was studied by density function and the discrete variation （DFT-DVM） method. After adding Si into Ti2AlC, the interaction between Si and Ti is weaker than that between Al and Ti, and the strengths of ionic and covalent bonds decrease both. The ionic and covalent bonds in Ti3AlC2, especially in Ti-Al, are stronger than those in Ti2AlC. Therefore, in synthesis of Ti2AlC, the addition of Si enhances the Ti3AlC2 content instead of Ti2AlC. The density of state （DOS） shows that there is mixed conductor characteristic in Ti2AlC and Ti3AlC2. The DOS of Ti3AlC2 is much like that of Ti2AlC. Ti2SiAl1-xC has more obvious tendency to form a semiconductor than Ti2AlC, which is seen from the obvious difference of partial DOS between Si and Al 3/7.     

Electronic Structure and Chemical Bond of Ti3SiC2 and Adding Al Element

The relation among electronic structure, chemical bond and property of Ti3SiC2 and Al-doped was studied by density function and discrete variation （ DFT- DVM） method. When Al element is added into Ti3 SiC2 , there is a less difference of ionic bond, which does not play a leading role to influent the properties. After adding Al, the covalent bond of Al and the near Ti becomes somewhat weaker, but the covalent bond of Al and the Si in the same layer is obviously stronger than that of Si and Si before adding. Therefore, in preparation of Ti3 SiC2 , adding a proper quantity of Al can promote the formation of Ti3 SiC2 . The density of stnte shows that there is a mixed conductor character in both of Ti3 SiC2 and adding Al element. Ti3 SiC2 is with more tendencies to form a semiconductor. The total density of state near Fermi lever after adding Al is larger than that before adding, so the electric conductivity may increase after adding Al.     

机械诱发自蔓延反应合成Ti3AlC2的机理研究

以3Ti／Al／2C粉体为原料,采用机械合金化的方法以合成Ti3AlC2材料。研究结果表明,在机械合金化过程中诱发自蔓延反应,反应会产生大量坚硬的小块体颗粒,大小约为0．2-11mm。粉体的组成相为TiC、Ti3AlC2、Ti2AlC,而块体仅含有TiC和Ti3AlC2。获得的粉体和块体产物中Ti3AlC2含量分别约为63wt％和84．8wt％。提出了一个机械诱发自蔓延反应合成Ti3AlC2的反应机制,即Ti3AlC2是从固相TiC与Ti-Al液相中形核并长大。     

可加工Ti2AlC陶瓷的研究进展

综述了可加工性Ti2AlC陶瓷的研究进展，三元碳化物Ti2AlC属于六方晶体结构，空间群为P63／mmc。它具有许多优良的性能，有较高的强度和弹性模量，在室浊下有抗损伤能力，它还有高的导热和导电系数，在高温下有良好的抗氧化性及显著的塑性变形。应用SHS、HP／HIP及SPS（等离子放电烧结）可制备该化合物。用HIP及SPS可制备高纯、致贩Ti2AlC陶瓷。     

Preparation of TiAl/Ti2AlC Composites with Ti/Al/C Powders by In-situ Hot Pressing

TiAl/Ti2AlC composites were prepared by in-situ hot pressing of TilAl/C powders mixtures and sintered at different temperatures were investigated by X- ray diffraction （ XRD ） of samples. The reaction procedure of Ti-Al-C system could be divided into three stnges. Below 900℃ , Ti reacts with Al to form TiAl intermetallics ; above 900 ℃ , C reacts with remain Ti to form TiC triggered by the exothermal reaction of Ti and Al ; TiAl reacts with TiC to produce dense TiAl/Ti2AlC compasites.In the holding stage, ternary Ti2AlC develops to layered polycrystal and composites pyknosis in the meanwhile. The mechanism of synthesis and microstructure was especially discussed.     

Fabrication of Ti_2AlC by Spark Plasma Sintering from Elemental Powders and Thermodynamics Analysis of Ti-Al-C System

A ternary-layered carbide Ti 2 AlC material could be synthesized by spark plasma sintering(SPS)technology using elemental powder mixture of Ti,Al and active carbon.By means of XRD and SEM,phases were identified and microscopically evaluated.The experimental results show that the main phase in the product was fully crystallized Ti 2 AlC with small particle size when sintered at 1200 C.The syn-thesis temperature of SPS was 200-400 C lower than that of hot pressing(HP)or hot isostatic pressing(HIP). Through thermodynamics calculations,the mechanism of Ti 2 AlC was studied by calculating changes of Gibbs free energy of reactions.     

Study on the isothermal oxidation behavior in air of Ti_3AlC_2 sintered by hot pressing

The isothermal oxidation behavior at 900―1300℃ for 20 h in air of bulk Ti3AlC2 with 2.8 wt% TiC sintered by means of hot pressing was investigated in the work. The isothermal oxidation behavior generally followed a parabolic rate law. The parabolic rate constants increased from 1.39×10-10 kg2·m-4·s-1 at 900℃ to 5.56×10-9 kg2·m-4·s-1 at 1300℃. The calculated activation energy was 136.45 kJ/mol. It was demonstrated that Ti3AlC2 had excellent oxidation resistance due to the continuous, dense and adhesive protect scales consisted of a mass of α-Al2O3 and a little of TiO2 and/or Al2TiO5. In principle, the oxide scale was grown by the inward diffusion of O2- and the outward diffusion of Ti4 and Al3 . The rapid outward diffusion of cations usually resulted in the formation of cracks, gaps, and holes.     

Synthesis of high pure Ti3AlC2 and Ti2AlC powders from TiH2 powders as Ti source by tube furnace

Titanium aluminum carbide (Ti₃AlC₂ and Ti₂AlC) powders were synthesized from TiH₂ powders instead of Ti powders as Ti source by a tube furnace under argon atmosphere without preliminary dehydrogenation. 95 wt% pure Ti₃AlC₂ powders were synthesized from TiH₂/1.1Al/2TiC at 1 450 °C for 120 min. High-purity Ti₂AlC powders were also prepared from 3TiH₂/1.5Al/C and 2TiH₂/1.5Al/TiC powders at 1 400 °C for 120 min. The as-synthesized samples were porous and easy to be ground into powders. Sn or Si additives in starting materials increased the purity of synthesized Ti₃AlC₂ obviously and expanded the temperature range for the synthesis of Ti₃AlC₂. With Si or Sn as additives, high pure Ti₃AlC₂ was synthesized at 1 200 °C for 60 min from TiH₂/x Si/Al/2TiC and TiH₂/x Sn/Al/2TiC (x = 0.1, 0.2), respectively.     

Fabrication of High-purity Ternary Carbide Ti3AlC2 by Spark Plasma Sintering （SPS） Technique

The effect of silicon on synthesis of Ti3AlC2 by spark plasma sintering （SPS） from TiC/Ti/Al powders was investigated. X-ray diffraction （XRD） and scanning electron microscope （SEM） were used for phase identification and microstructure evaluation. The results show that addition of silicon can considerably accelerate the synthesis reaction of Ti3AlC2 and fully dense, essentially single-phase （purity 〉98%） polycrystalline Ti3AlC2 could be successfully obtained by sintering 2TiC/lTi/lAl/0.2Si powders at 1 200- 1 250 ℃ under a pressure of 30 MPa. SEM photographs show that the obtained Ti3AlC2 samples from mixtures powders are in plane-shape with a size of about 2-5 μm and 10-25 μm in the thickness dimension and elongated dimension, respectively.     

Al2O3对3Ti/Si/2C体系自蔓延高温合成Ti3SiC2的影响

以3Ti/Si/2C粉体为原料,通过自蔓延高温合成技术合成了Ti3SiC2材料。研究了Al2O3助剂对自蔓延高温合成Ti3SiC2的影响。研究结果表明,3Ti/Si/2C粉体会发生自蔓延反应,产物的组成相为TiC、Ti3SiC2和Ti5Si3,产物中Ti3SiC2含量约为23%。添加适量的细粒度Al2O3可显著促进反应合成Ti3SiC2,3Ti/Si/2C/0.1Al2O3原料反应后得到的产物中Ti3SiC2含量达64%。     

Si和Al对机械合金化合成Ti3SiC2的影响

采用3Ti／Si／2C单质粉体为原料,进行机械合金化,以合成Ti3SiC2粉体。研究了Al和过量Si对机械合金化合成Ti3SiC2的影响。研究结果表明,机械合金化单质混合粉体,会诱发自蔓延反应。反应后产生大量坚硬的颗粒状产物。机械合金化3Ti／Si／2C粉体,会产生组成相为TiC、Ti3SiC2、TiSi2和Ti5Si3的粉体与颗粒产物。添过量Si并不会促进机械合金化反应合成Ti3SiC2。添适量Al可消除硅化物,明显促进反应合成Ti3SiC2。采用3Ti／Si／2C／0．15Al粉体作原料时,颗粒产物中Ti3SiC2含量最高,为92．8wt％;而采用3Ti／Si／2C／0．20Al粉体作原料时,粉体产物中Ti3SiC2含量最高,为61．9wt％。     

Fabrication of Ti2AlC by Spark Plasma Sintcring from Elemental Powders and Thermodynamics Analysis of Ti-M-C System

A ternary-layered carbide Ti2AlC material could be synthesized by spark plasma sintering（SPS） technology using elemental powder mixture of Ti, Al and active carbon. By means of XRD and SEM, phases were identified and microscopically evaluated. The experimental results show that the main phase in the product was fully crystallized Ti2AlC with small particle size when sintered at 1200℃. The synthesis temperature of SPS was 200-400℃ lower than that of hot pressing （HP） or hot isostatic pressing （HIP）. Through thermodynamics calculations, the mechanism of Ti2AlC was studied by calculating changes of Gibbs free energy of reactions.     

Preparation and Microstructural Analysis of Ti2AlC/TiAl（Nb） Composite

By using the spark plasma sintering process, Ti2AlC/TiAlcomposite with the addition of Niobium （Nb） was prepared in-situ and the microstructure of Ti2AlC/TiAl （Nb） composite was investigated by means of transmission electron microscopy （TEM） and high-resolution electron microscopy （HREM）. The results indicate that new-formed Ti2AIC particles disperse with a high degree of uniformity and well combine with the matrix. In the area of phase interface the d-spaces of Ti2AlC （100） and TiAI （110） were measured as 0.2648 nm and 0.2991 nm,respectively. The atom arrangement beside the interface was only partly corresponding, existing in semicoherent state. On the contrary, in the area of grain interface the d-spaces of TiAl （100） and TiAl （110） were measured as 0.2462 nm and 0.2631 nm,respectively and the atom arrangement beside the interface was almost corresponding, existing in coherent state.     

Ti6Al4V合金表面纳米管阵列的制备

以氢氟酸和铬酸为电解液,采用阳极氧化法在Ti6Al4V合金表面制备高密度的纳米管阵列.利用场发射扫描电镜、X射线衍射仪和X射线光电子能谱对多孔氧化膜的形貌和结构进行分析,利用极化曲线和电化学阻抗谱研究了电解液中CrO3的作用机理.结果表明:电解液种类决定能否形成多孔氧化膜,而电解液的浓度影响多孔氧化膜的形貌和孔径大小;纳米管阵列氧化膜主要由大部分非晶态组织的TiO2,Al2O3和少部分晶态的Al2TiO5,Al3Ti5O2,Al2O3组成,氧化膜内的Al,Ti原子比高于基体中的Al,Ti原子比;CrO3浓度的高低会影响氧化膜的结构.     

Effect of Ti/B Additions on the Formation of Al3 Ti of in situ TiB2/Al Composites

ParticulatereinforcedMetalMatrixComposites(MMCs)showgreatpotentialforstrUctUralmaterialsduetotheirpromisingspecificstrengthandmodlllus.AmongthenumeroustechnologiesproducingparticulatereinforcedMMCs,thoseallowinginsituproductionofthereinforcementoffer...     

三元层状氮化物Ti4AlN3的抗腐蚀性能

研究了以热压烧结合成的Ti4AlN3块体材料在浓和稀HCl,HNO3以及NaOH中浸泡100d的腐蚀行为。结果表明,Ti4AlN3在HCl中主要表现为孔蚀和晶间腐蚀,且在浓HCl中的失重要大于稀HCl;由失重曲线可见Ti4AlN3在浓HNO3中失重最大,为11．73mg／cm^2,由腐蚀面SEM照片可见较严重的全面腐蚀和剥蚀,XRD图谱显示一部分Ti4AlN3由于失去Al层从而转变为在酸碱中更为稳定的TiN。在酸溶液中,Ti4AlN3晶体的Ti—Al,Ti—Ti和Al—Al键发生断裂,Ti,Al原子溶解在溶液中。Ti4AlN3在NaOH中几乎没有失重,表现出良好的耐碱性能。     

Effects of HIPing pressure on microstructures and properties of TiAl alloy

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Physical, antioxidant and thermal shock properties of Cu/Ti2AlC conductive composites

Cu/Ti₂AlC composites were fabricated by vacuum hot-pressing technique. Phase composition was analyzed by XRD and morphology of fracture was observed by SEM. Physical performance such as density, resistivity, hardness and friction coefficient with different volume fraction of Cu/Ti₂AlC composites were studied. When the content of Ti₂AlC increased from 10% to 70%, the relative density reduced from 99.38% to 90.56% and the resistivity increased significantly. Hardness reached the maximum value when Ti₂AlC was at 60% and friction coefficient declined with the increasing of Ti₂AlC. Cu/Ti₂AlC composites, showing good conductivity properties and friction performance. Oxidation resistance enhanced obviously with the content of Ti₂AlC increasing. Cu-60%Ti₂AlC sample possessed optimum thermal shock resistance, and no cracking was found at 600 °C cycled for 10 times and 900 °C cycled for 1 time.     

Corrosion resistance of Molybdenum Nitride modified Ti6Al4V alloy in HCl solution

The Mo-N surface modified layer on Ti6Al4V alloy was obtained by the plasma surface alloying technique. The structure and composition of the Mo-N modified Ti6Al4V alloy were investigated by X-ray diffraction （XRD） and glow discharge optical emission spectroscopy （GDOES）. The Mo-N modified layer contains Mo-N coating on subsurface and diffusion layers between the subsurface and substrate. The X- ray diffraction analysis of the Mo-N modified Ti6Al4V alloy reveals that the outmost surface of the Mo-N modified Ti6Al4V alloy is composed of phase Mo2N （fcc） and Mo2N （tetr）. The electrochemical corrosion performance of the Mo-N modified Ti6Al4V alloy in 0.5 mol/L HCl solution was investigated and compared with that of Ti6Al4V alloy. The chemical corrosion performance of the Mo-N modified Ti6Al4V alloy in boiling 37% HCl solution was investigated and compared with that of Ti6Al4V alloy. Results indicate that self-corroding electric potentials and corrosion-rate of the Mo-N modified Ti6Al4V alloy are higher than that of Ti6Al4V alloy in 0.5 mol/L HCl solution. The corrosion-rate of the Mo-N modified Ti6Al4V alloy is lower than that of Ti6Al4V alloy in boiling 37% HCl solution.     

高岭土掺杂NASICON固体电解质及全固态电池性能

针对LiTi2(PO4)3基固态电解质电导率低的问题,采用浙江三门高岭土矿作为主要原料,以高温固相法制备铝、镁、硅共掺杂钠超离子导体(NASICON)型快离子导体Li1+2x+2yAlxMgyTi2-x-ySixP3-xO12.研究掺杂比例、温度对固态电解质离子电导率的影响.结果表明,组成为Li1.8Al0.1Mg0.3Ti1.6Si0.1P2.9O12固体电解质在423 K时有最高离子电导率7.86×10-4 S·cm-1.以该组成固态电解质为基片,喷雾热解原位制备Al/ Li1+xV3O8/ Li1.8Al0.1Mg0.3Ti1.6Si0.1 P2.9O12 /C全固态电池并在1.8～3.9 V电压区间进行50次充放电测试.该电池具有较好的稳定性及循环容量保持能力.30次循环以后放电容量基本稳定在190～205 mAh·g-1之间,充放电效率大于90%.