层状结构陶瓷制备工艺与增韧机理的研究

层状结构增韧陶瓷能够较好的解决陶瓷的脆性问题,是陶瓷增韧的有效方法之一,层状结构陶瓷具有广阔的应用前景。文中归纳了层状结构陶瓷的成型工艺、合成工艺,综合评述了其增韧机理,并对该领域的研究方向进行了展望。     

插层化合物LiVO2的合成及物理性能的研究

本文用固态反应方法成功地合成了插层化合物LiVO₂。进行了成分配比实验、元素定量化学分析和X射线粉末衍射分析。最后对结果进行了讨论。 关键词：     

Ce∶YAG透明陶瓷的制备及性能研究

以高纯Al_2O_3、Y_2O_3和CeO_2为原料,采用固相法制备Ce∶YAG(掺铈钇铝石榴石)透明陶瓷,研究了稀土离子掺杂浓度以及烧结温度对陶瓷样品光学性能的影响。结果表明:陶瓷片透过率随着烧结温度的升高而增大,1750℃烧结获得的0.5%Ce∶YAG陶瓷片的透过率高达81.7%。Ce∶YAG陶瓷片的激发峰和发射峰分别位于350nm和530nm处,在白光LED领域具有极大的应用价值。     

固相法制备Ce,Cr∶YAG透明陶瓷及其荧光性能研究

以高纯Al_2O_3、Y_2O_3、Cr_2O_3和CeO_2为原料,采用固相法制备了Ce,Cr∶YAG透明陶瓷。通过XRD测试和荧光测试,研究了0.5%Ce~(3+),0.1%Cr~(3+)掺杂的YAG透明陶瓷片的晶相结构和光学性能。结果表明:1 750℃烧结获得的该陶瓷片为YAG纯相,在可见光区的透过率达到了70%以上。在430 nm的光激励下,透明陶瓷同时表现出了Ce~(3+)、Cr~(3+)的特征发射峰,在补充白光LED的红光部分方面具有一定的实际应用价值。     

PLZST反铁电陶瓷电场诱导相变与相稳定性的研究

在三方铁电(FE)-四方反铁(AFE)的准同型相界附近制备了一系列组份为(Pb_0.97La_0.02)(Zr_1-x-ySn_yTi_x)O₃(x=0.09或0.1;0.16≤y≤0.38)的反铁电陶瓷.研究了Sn含量y对电场诱导AFE→FE相变电场E_c、反铁电双电滞回线损耗ΔE、以及温度诱导FE→AFE相变温度T_FE，AFE→顺电(PE)相变温度T_c的影响.沿AFE-FE相界Ti含量一定的条件下，E_c随着Sn含量y的增加而增大，ΔE减小，T_FE与T_c均降低.场诱相变的回线参量E_c，ΔE与相变温度T_FE和T_c相关联.在直流偏压下用原位X-射线衍射表征了相变时晶格结构的变化，结果表明，当电场达到AFE→FE相变临界场时，伴随相变的发生，晶格结构由四方相转变为三方相，晶胞体积增大. 关键词：     

AlNBN复相纳米陶瓷的高温高压合成与表征

利用直流电弧等离子体方法制备了氮化铝纳米粉,用行星式球磨机制备纳米级的氮化硼粉,将这两种纳米粉均匀混合,经过5 GPa、1500 ℃的高温高压处理,最终制备出AlN/BN纳米复相陶瓷,对合成的产物进行了X射线衍射（XRD）、透射电子显微镜(TEM)和扫描电子显微镜(SEM)的分析,得到样品的结构和形貌特征,结果表明合成产物为AlN/BN纳米复相陶瓷.      

相界附近Pb(Zn1/3Nb2/3)O3-PbZrO3-PbTiO3固溶体的弛豫相变研究

利用常规电子陶瓷工艺在相界附近合成得到纯钙钛矿相的Pb(Zn1/3Nb2/3)O3PbZrO3PbTiO3(PZNPZT)三元系固溶体,其相界位于Zr/Ti比37/33处.在实验中发现和证实了相界附近PZNPZT三元系固溶体存在铁电弛豫顺电相变.在极化后Zr/Ti比为37/33及39/31PZNPZT样品的介电温度谱观测到菱方四方相相变,认为PZNPZT固溶体相界是向富Zr区弯曲. 关键词：     

Bl结构MoN_x薄膜的制备及物理性能研究

我们对以反应性溅射法制备的MoN_x薄膜测量了超导转变温度T_c,电阻率ρ(T)(从T_c起始到300K)。用X射线衍射技术、卢瑟福背散射(RBS)、俄歇谱仪和X射线光电子能谱(XPS)技术对这些样品进行了分析。实验结果表明T_c和ρ(T)随N含量改变而变化。当样品是B1结构时,T_c小于4.2K,而且样品内还有过量的N存在。俄歇分析表明,样品内有O,C杂质存在。这些因素都可能导致T_c很低,ρ(T)呈负的温度系数。     

铈掺杂钆镓铝石榴石相玻璃陶瓷的光学及光谱参数

根据X射线衍射图谱对铈掺杂的钆镓铝石榴石相玻璃陶瓷的晶体结构进行分析,采用直径10英寸积分球结合CCD(charge coupled device)探测器系统,对蓝色半导体发光二极管激发下铈掺杂钆镓铝石榴石相玻璃陶瓷的荧光光谱进行测试,解析出样品发光的绝对光谱功率分布,推导出光量子数分布,求得荧光量子产率和组合白光的色坐标及其相关色温。结果表明,所调查的铈掺杂钆镓铝石榴石相玻璃陶瓷在蓝光LED激发下的荧光量子产率为29.2%,所获得组合白光的色坐标x=0.319,y=0.349,相关色温为6 086K。尽管该混晶陶瓷的荧光量子产率稍小于铈掺杂YAG玻璃陶瓷,但其与蓝光LED组合后发光的色温也明显低于后者,从而为舒适型LED照明玻璃陶瓷的进一步优化提供了新思路。     

Er^3＋：Y2O3透明陶瓷制备及发光性质研究

以Y2O3为基质材料,掺杂不同含量的Er3 ,采用共沉淀法制备出性能良好的Er3 :Y2O3纳米粉,并将粉体在1 700℃和真空度为1×10-3Pa下烧结8 h得到Er3 :Y2O3透明陶瓷.用X射线衍射仪(D/MAX-RB)、透射电子显微镜(EM420)、自动记录分光光度计(DMR-22)、荧光分析仪(F-4500)和发射波长为980 nm的半导体激光器分别对样品的结构、形貌和发光性能进行了研究.结果表明:Er3 完全固溶于Y2O3的立方晶格中,Er3 :Y2O3粉体大小均匀,近似球形,尺寸约40～60 nm左右.Er3 :Y2O3透明陶瓷相对密度为99.8%,在长波长范围内其透光率超过60%,在波长为980 nm的激光下有两个上转换发光带,其中绿色发光中心波长位于562 nm,红色发光中心波长位于660 nm,分别对应4S3/2/2H11/2→4I15/2和4F9/2→4I15/2的跃迁;随着铒浓度的提高颜色从绿色向红色转变,Er3 的掺杂浓度不宜超过2%,超过这个范围,对材料发光强度的增强作用反而很小.     

Synthesis and characterization of arc deposited magnetic (Cr,Mn)2AlC MAX phase films

(Cr_1–xMn_x)₂AlC MAX phase thin films were synthesized by cathodic arc deposition. Scanning transmission electron microscopy including local energy dispersive X‐ray spectroscopy analysis of the as‐deposited films reveals a Mn incorporation of as much as 10 at% in the structure, corresponding to x = 0.2. Magnetic properties were characterized with vibrating sample magnetometry, revealing a magnetic response up to at least room temperature. We thus verify previous theoretical predictions of an antiferromagnetic or ferromagnetic ground state for Cr₂AlC upon alloying with Mn. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Pressure-enforced plasticity in MAX phases: from single grain to polycrystal investigation

Ti₄AlN₃, Ti₃AlC₂ and Ti₃Al_0.8Sn_0.2C₂ MAX phases were plastically deformed at room temperature (RT) under gaseous confining pressure. Microstructures of as-grown and deformed samples are carefully analysed using scanning electron microscopy (SEM), atomic force microscopy (AFM) and transmission electron microscopy (TEM). It is demonstrated that high level of plastic deformation can be reached under confining gas pressure; the later suppresses the brittle failure at RT to the profit of plasticity. Multiscale characterization techniques are shown to provide a unique insight into all the scales of the plastic deformation; in particular, the effect of the mesoscale. Indeed, grain shape and orientation relative to the compression axis are shown to play a key role in the deformation process, intergranular stresses leading to a complex stress field in the polycrystalline samples. The TEM results show that dislocation activity highly depends on the grain orientation. The observation of dislocation entanglements unambiguously demonstrates that dislocations may be organized in such a configuration so that their glide in the basal plane can be hindered when deep plastic regime is reached.     

Theoretical stability,thin film synthesis and transport properties of the Mon +1GaCn MAX phase

The phase stability of Mo_{n +1}GaC_n has been investigated using ab‐initio calculations. The results indicate stability for the Mo₂GaC phase only, with a formation enthalpy of –0.4 meV per atom. Subsequent thin film synthesis of Mo₂GaC was performed through magnetron sputtering from elemental targets onto Al₂O₃ [0001], 6H‐SiC [0001] and MgO [111] substrates within the temperature range of 500 °C and 750 °C. High structural quality films were obtained for synthesis on MgO [111] substrates at 590 ºC. Evaluation of transport properties showed a superconducting behavior with a critical temperature of approximately 7 K, reducing upon the application of an external magnetic field. The results point towards the first superconducting MAX phase in thin film form. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Density Functional Theory Study of Mn+1AXn Phases: A Review

M_n+1AX_n phases (MAX phases for short with M: transition metal, A: A group elements, X: C or N, and n = 1–3) have attracted considerable attention due to the unique combination of the ceramic- and metal-like properties. The density functional theory (DFT) has emerged as a powerful theoretical approach that complements experimental testing and serves as a predictive tool in the identification and characterization of MAX phases. After the beginning with a brief introduction of the MAX phase and DFT, we review the DFT study on this class of materials, including crystal structure, electronic structure, point defects, lattice dynamics, and related properties, phase stability, compressibility, and elastic properties. Comparison between the theoretical values and available experimental ones shows that they are in decent agreement for most part, especially in the lattice constants, elastic properties, and compressibility. This article is concluded with an outlook of future research on DFT study of MAX phases, major challenges to be met and possible solutions in some cases.     

An ab initio investigation of vibrational,thermodynamic, and optical properties of Sc_2AlC MAX compound

The structural vibrational, thermodynamical, and optical properties of potentially technologically important, weakly coupled MAX compound, Sc2 Al C are calculated using density functional theory(DFT). The structural properties of Sc_2AlC are compared with the results reported earlier. The vibrational, thermodynamical, and optical properties are theoretically estimated for the first time. The phonon dispersion curve is calculated and the dynamical stability of this compound is investigated. The optical and acoustic modes are observed clearly. We calculate the Helmholtz free energy(F), internal energy(E), entropy(S), and specific heat capacity(Cv) from the phonon density of states. Various optical parameters are also calculated. The reflectance spectrum shows that this compound has the potential to be used as an efficient solar reflector.     

Structural, electronic and elastic properties of Ti2TlC, Zr2TlC and Hf2TlC

Using First-principle calculations, we have studied the structural, electronic and elastic properties of M₂TlC, with M = Ti, Zr and Hf. Geometrical optimization of the unit cell is in good agreement with the available experimental data. The effect of high pressures, up to 20 GPa, on the lattice constants shows that the contractions are higher along the c-axis than along the a axis. We have observed a quadratic dependence of the lattice parameters versus the applied pressure. The band structures show that all three materials are electrical conductors. The analysis of the site and momentum projected densities shows that bonding is due to M d-C p and M d-Tl p hybridizations. The M d-C p bonds are lower in energy and stiffer than M d-Tl p bonds. The elastic constants are calculated using the static finite strain technique. We derived the bulk and shear moduli, Young’s modulus and Poisson’s ratio for ideal polycrystalline M₂TlC aggregates. We estimated the Debye temperature of M₂TlC from the average sound velocity. This is the first quantitative theoretical prediction of the elastic properties of Ti₂TlC, Zr₂TlC, and Hf₂TlC compounds that requires experimental confirmation.      

Theoretical study of the structural, elastic, electronic and thermal properties of the MAX phase Nb2SiC

Structural, elastic, electronic and thermal properties of the MAX phase Nb₂SiC are studied by means of a pseudo-potential plane-wave method based on the density functional theory. The optimized zero pressure geometrical parameters are in good agreement with the available theoretical data. The effect of high pressure, up to 40 GPa, on the lattice constants shows that the contractions along the c-axis were higher than those along the a-axis. The elastic constants C_ij and elastic wave velocities are calculated for monocrystal Nb₂SiC. Numerical estimations of the bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, average sound velocity and Debye temperature for ideal polycrystalline Nb₂SiC aggregates are performed in the framework of the Voigt-Reuss-Hill approximation. The band structure shows that Nb₂SiC is an electrical conductor. The analysis of the atomic site projected densities and the charge density distribution shows that the bonding is of covalent-ionic nature with the presence of metallic character. The density of states at Fermi level is dictated by the niobium d states; Si element has a little effect. Thermal effects on some macroscopic properties of Nb₂SiC are predicted using the quasi-harmonic Debye model, in which the lattice vibrations are taken into account. The variations of the primitive cell volume, volume expansion coefficient, bulk modulus, heat capacity and Debye temperature with pressure and temperature in the ranges of 0-40 GPa and 0-2000 K are obtained successfully.     

Structural,elastic, electronic and thermal properties of M2SbP (M = Ti,Zr and Hf)

The structural, elastic, electronic and thermal properties of M₂SbP (M = Ti, Zr and Hf) were studied by means of a pseudo-potential plane-wave method based on the density functional theory within both the local density approximation and the generalised gradient approximation. The optimised zero-pressure geometrical parameters, i.e. the two unit cell lengths (a, c) and the internal coordinate (z), were in good agreement with available experimental and theoretical data. The effect of high pressure, up to 20 GPa, on the lattice constants shows that the contractions along the a-axis were higher than along c-axis. The anisotropic independent elastic constants were calculated using the static finite strain technique. Numerical estimations of the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, average sound velocity and Debye temperature for ideal polycrystalline M₂SbP aggregates were performed in the framework of the Voigt–Reuss–Hill approximation. The calculated band structures show that all studied materials are electrical conductors. Analysis of the atomic site projected densities showed that the bonding is of covalent–ionic nature with the presence of metallic character. The density of states at the Fermi level is dictated by the transition metal d–d bands; the Sb element has little effect. Thermal effects on some macroscopic properties of M₂SbP were predicted using the quasi-harmonic Debye model, in which the lattice vibrations are taken into account. The variations of the volume expansion coefficient, heat capacity and Debye temperature with pressure and temperature in the ranges 0–50 GPa and 0–2000 K were obtained successfully.     

Structural parameters, electronic structures, elastic stiffness and thermal properties of M2PC (M=V, Nb, Ta)

Using pseudo-potential plane-wave method based on the density functional theory in conjunction with the generalized gradient approximation, structural parameters, electronic structures, elastic stiffness and thermal properties of M₂PC, with M=V, Nb, Ta, were studied. The optimized zero pressure geometrical parameters are in good agreement with the available results. Pressure effect, up to 20 GPa, on the lattice parameters was investigated. Electronic properties are studied throughout the calculation of densities of states and band structures. The elastic constants and their pressure dependence were predicted using the static finite strain technique. We performed numerical estimations of the bulk modulus, shear modulus, Young's modulus, Poisson's ratio and average sound velocity for ideal polycrystalline M₂PC aggregates in framework of the Voigt-Reuss-Hill approximation. We estimated the Debye temperature and the theoretical minimum thermal conductivity of M₂PC.