Electronic Structures and Bonding Properties of Ti_2AlC and Ti_3AlC_2

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. Ti2SixAl1-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 3p.     

Ti3AlC2的合成及热性能研究

以TiC／Ti／Al／Si粉为原料,采用热压工艺成功制备了高纯度致密的Ti3AIC2块体材料,其制备的最佳温度为(1300∽1500)℃,引入适量的Si能促进Ti3AIC2的合成．也讨论了该样品在不同温度下测定的热容和热导率,说明Ti3AlC2具有优良的导热性能。     

热压合成Ti2AlC材料及热力学分析

以Ti、Al元素粉和活性炭为原料，采用热压工艺合成了Ti2A1C块体材料。通过不同温度下合成试样的X-射线衍射分析（XRD），确定了热压合成试样的物相组成，并用扫描电子显微镜（SEM）观察了所合成试样的显微结构。结果表明：完全以元素粉为原料按2．0Ti／1．0Al／1．0C（摩尔比，下同）配比在1500℃热压60min能合成纯度高的Ti2AlC块体材料，产物中仅含有非常少的杂相TiC和Ti3AlC2。根据热力学计算结果，在Ti、Al和C三元系统中，TiC是最稳定的中间产物。另外，解释了在合成Ti2AlC过程中Ti3AlC2的产生。     

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.     

放电等离子合成Ti3AlC2/TiB2复合材料的研究

采用放电等离子烧结工艺成功地制备了Ti3AlC2/TiB2复合材料.研究表明:在1 250 ℃,30 MPa压力和保温8 min下烧结,可以得到相对密度达98%以上的致密Ti3AlC2/TiB2块体材料;在Ti3AlC2中添加TiB2能大幅度提高材料性能,Ti3AlC2/TiB2复合材料Vickers硬度随TiB2掺量的增加而增大,最大可达到10.4 GPa;当TiB2体积含量为10%时,复合材料的最大的抗弯强度为696 MPa,断裂韧性为6.6 MPa·m1/2.     

三元层状Ti_3AlC_2材料的制备及力学性能分析

分别以石墨和TiC为碳源,以微米级Ti粉、Al粉为原料,采用固-液相原位热压烧结方法制备了不同反应物合成的致密层状Ti3AlC2陶瓷材料.采用XRD、SEM分析了产物的形貌和相组成,并对其力学性能进行了分析测试.研究表明:在1 300℃、25 MPa条件下,以TiC/Al/Ti混合粉末体系为原料,热压烧结可以获得纯度较高的致密Ti3AlC2层状陶瓷材料;Ti3AlC2陶瓷材料的断裂韧度KIC为5.60 MPa.m1/2,维氏硬度在HV 400～600之间,抗弯强度为454.7 MPa,抗压强度可达764 MPa.研究表明,晶粒细化是其力学性能提高的主要原因.     

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。     

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%。     

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.     

Effect of tin on the reaction synthesis of ternary carbide Ti3AlC2

The effect of tin on synthesis of Ti₃AlC₂ by spark plasma sintering (SPS) from TiC/Ti/Al powders was investigated. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used for phase identification and microstructure evaluation. The experimental results show that addition of tin can considerably accelerate the synthesis reaction of Ti₃AlC₂ and fully dense, essentially single-phase polycrystalline Ti₃AlC₂ could be successfully obtained by sintering 2TiC/1Ti/1Al/0.2Sn powders at 1200–1250 °C under a pressure of 30 MPa. SEM images show that Ti₃AlC₂ samples in about 2–5 μm thick and 10–25 μm long platelets can be obtained. The fracture toughness and flexural strength of Ti₃AlC₂ were 6.5±0.2 MPa·m^1/2 and 560±10 MPa, respectively. Funded by the National Natural Science Foundation of China (No.20771088, No.50572080) and Doctoral Foundation of Wuhan University of Technology (No.471-38650142)     

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.     

热压TiAl/Ti2AlC复合材料的相形成规律

采取原位热压方法，利用Ti、Al、TiC为原料合成了TiAl／Ti2AlC复合材料。通过X衍射图谱，分析了从600℃到1300℃该合成过程的相形成规律。Ti、Al、TiC的反应大致可分为2个阶段：900℃之前，Ti和Al反应生成TiAl金属化合物；900℃之后，TiAl金属间化合物和TiC反应并合成致密TiAl／Ti：AlC复合材料。讨论了这2个阶段的反应机及烧结产物的微观结构特点。     

Synthesis of Cr_2AlC from Elemental Powders with Modified Pressureless Spark Plasma Sintering

We introduced a modified pressureless sintering strategy by SPS with a new T-shape die and tapered punches, which helps the evaporation of melted Al and reduces the sample sticking with the inner wall of the die. Thus, the die breaking risk in the sintering process or the de-molding process is avoided at all. At a low temperature and short holding time, a high purity of Cr_2 AlC was obtained in this SPS process from the optimization of different molar ratios of raw materials. Simultaneously, the high porosity of the as-obtained sample was also a distinguishing feature worth noticing. The reaction mechanism for this process was also discussed in detail. This study presented a new venue for future development of high purity "MAX" materials and others related materials by a modified pressureless sintering strategy.     

Synthesis and tribological behaviors of Ti3SiC2 material prepared by vacuum sintering technique

The bulk Ti₃SiC₂ specimens with less than 1 wt% TiC impurity were prepared by vacuum sintering technique, and the average grain size was about 5–6 μm in the elongated direction. When the sintering temperature, soaking time and heating rate were 1 400 °C, 1 h and 10 °C·min^?1, respectively, the highest relative density of Ti₃SiC₂ specimens could reach 97.8%. Meanwhile, the lowest coefficient of friction (COF) and wear rate (WR) of the Ti₃SiC₂ samples were 0.55 and 1.37×10^?3 mm³(Nm)^?1 at a sliding speed of 0.35 m/s, load pressure of 10 N and ambient condition, respectively. The COF of the Ti₃SiC₂ sample reduced with the increasing of the load pressure, while the WRs fluctuated little. The WR increased with the increasing of the sliding speed, and weakly influenced the COF. These changing behaviors could be attributed to the presence and coverage of the amorphous mixture oxide film of Ti, Si, Al, and Fe on the Ti₃SiC₂ friction surface. The self-antifriction mechanism led to reducing of the COF. The increasing of the WR was attributed to the wearing consumption.     

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.     

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.     

层状三元碳化物Ti3SiC2及其制备研究

三元碳化物Ti3SiC2属于层状六方晶体结构，空间群为P63／mmC；它同时具有金属和陶瓷的优良性能，有良好的导电和导热能力，在室温下可切削加工，在高温下有良好的热稳定性和塑性变形能力，还具有优异的抗氧化性能，抗热震等；应用CVD、SHS、HP／HIP等方法可制备该化合物，用HIP方法能制备高纯、致密的Ti3SiC2陶瓷。最近，以元素单质粉为原料，采用放电等离子烧结工艺成功制备了高纯Ti3SiC2材料。     

Synthesis of Ti3SiC2/TiB2 Composite by In-situ Hot Pressing (HP) Method

Ti3SiC2/TiB2 composite was successfully obtained by hot pressing Ti/TiC/Si/B4C power mixtures.Volume fraction of TiB2 in Ti3SiC2/TiB2 composite can not exceed 10%.Incorporation of excessive TiB2 will affect the reactions process.TiC and Ti5Si3 were two important intermediate phases during the whole reactions.The microstructure characteristics of the Ti3SiC2/TiB2 composites were analyzed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM).The experimental results show that the grains of Ti3SiC2/TiB2 composite are structured in a layered form,and the formation of TiB2 particles as reinforcements with elongated or equiaxed shape distributes in Ti3SiC2 matrix.     

THE PROCESS AND MECHANISM OF TiAl－BASED ALLOY SYNTHESIZED FROM Ti AND AlP OWDERS

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