Analysis of electron structure of γ/α2 phase boundaries in ternary TiAl intermetallics

The electron structure of γ/α2 phase boundaries in lamellar colonies in Ti-47Al-2M（M=Nb, Cr, V） （mole fraction, %） alloys was theoretically investigated by Empirical Electron Theory of Solid and Molecules （EET） and the bond-length-difference （BLD） method. Average-Atom-Model was employed to calculate valence electron structure of TiAI intermetallics containing site substitution elements. On this basis, the boundary condition of electron movement was employed in the improved Thomas-Fermi-Dirac （TFD） theory to decide the continuity of the electron density of the lamellar colonies interface and it is found that of γ/α2 interface is continuous（△ρ〈10%）. Furthermore, it is found that adding alloying elements （including Nb, Cr, and V） can improve the electron density （ρ） of ）γ/α2 interfaces, and decrease the electron density difference（△ρ） of γ/α2 interfaces. Adding V element decreasing △ρ is more remarkable than other site substitution elements. According to electron structure study of γ/α2 interfaces in Ti-47Al-2M alloys, the added elements improve mechanical properties of the alloy in the following order： V〉Cr〉Nb.     

Primary study of the isothermal phase diagram of the Cu2O-Al2O3-SiO2 ternary system at 1150℃ in air

The isothermal phase diagram of the Cu2O-Al2O3-SiO2 ternary system at 1150℃ was reported for the samples which were prepared from sol-gel method and quenched by water after being heated at 1150℃ for 12 h. Based on the conventional X-ray powder diffraction （XRD） and in situ high-temperature XRD quantitative analysis,in addition to scanning electron microscopy measurement,the phase identification was achieved. Combining the deduction from the component phase diagrams of the binary systems using the phase equilibrium theorem,the primary isothermal phase diagram was plotted over the composition area Cu2O-mullite-SiO2. In this area,the approximate composition areas of two two-phase regions and one three-phase region,（L2＋Cr）,（L2＋M）,and （L1＋L2＋Tr）,were determined. Moreover,the precise composition areas of both of the three-phase regions （L2＋Cr＋M） and （L2＋M＋A） were determined according to the results of conventional and in situ high-temperature XRD quantitative analysis by Rietveld method.     

Thermodynamic analysis of β → α(α_2) phase transformation temperature in a Ti-Al-H alloy system

The T0 face equation of a Ti-Al-H alloy system was set up by the regular solution model,and the relationship between the β phase stabilizing parameter of hydrogen and the equilibrium phase compositions was attained.According to the T0 face equation and the thermodynamic parameters from literature,the effect of hydrogen on the β→α(α2) transformation temperature was evaluated.The calculated results were in a better consistence with the measured ones.     

Computer simulation of order-disorder phase transition in the intercalation compounds M1／2TiS2 （M = Fe, Co, Ni）

Based on cluster variation method (CVM) and natural iteration method (NIM), order-disorde phase transition inthe intercalation compounds M_(1/2)TiS_2 is simulated by computer. The favorble conditions, under which 3a_0~(1/2)×a_0 super-structure is formed, are given, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.     

Effect of AI content on the phase structure and the hydrogenation characteristic of La（Mg1-xAlx） alloys

La（Mg1-xAlx） （x=0.2, 0.4, 0.6, 0.8） alloys have been prepared using induction melting followed by annealing. It is found that partial substitution of Mg by Al does not lead to a change in crystal structure, and the alloys have a single LaMg phase when x 〈 0.4. The lattice parameter of the LaMg phase decreases obviously after the partial substitution of Mg by Al. However, further substitution of Mg by Al leads to the coexistence of multiple phases when x ≥ 0.6. The alloys consist of the LaMg, LaAl, LaAl2, and La5Al4 phases. The LaMg phase decreases, whereas the La5Al4 phase increases with the increase in x. The Al-substituted La（Mgo.6Al0.4） alloy can be hydrogenated into the tetragonal LaH3, cubic LaH3, MgH2, and LaPd under 5 MPa at 473 K for 5 d.     

Cu对Al-Zn系a1／（a1＋a2）边界走向的影响

对平衡处理(300℃～340℃)后的Al-Zn及Al-Zn加Cu合金a1相成分进行了电子探针微区分析。确定了Cu对a1 a2溶解度间隙形状，即a1/(a1 a2)边界走向的影响。该边界随着Cu含量的增加，向低Zn侧偏移，而不是此前所确定的向高Zn侧偏移。这一结果支持近年的热力学计算结果，溶解度间隙呈“隧道形”，而不支持根据实测相图推测的“钟罩形”。     

Al2O3／Al2（1-0．2）Mg0．2Ti（1＋0．2）O5基复相陶瓷的制备及其性能

以工业级α-Al2O3、金红石型TiO2和轻质MgO粉体为原料，过量配置α-Al2O3，采用固相反应法于1400℃煅烧实现了Al2O3／Al2（1-0．2）Mg0．2Ti（1＋0．2）O5基复相粉体的原位合成，实现两相的均匀混合，原位制备出性能良好的Al2O3／Al2（1-0．2）Mg0．2Ti（1＋0．2）O5基复相陶瓷。利用XRD对原位合成的复相陶瓷粉体的相组成进行了表征，利用FESEM观察了复相陶瓷的断口形貌，测量了复相陶瓷的烧结密度、抗弯强度和热膨胀系数，研究了第二相Al2O3的引入量对钛酸铝基陶瓷的微观结构、抗弯强度和热膨胀性能的影响。结果显示，当复相Al2O3的引入量为15％（质量分数）时，钛酸铝基复相陶瓷的抗弯强度提高到108MPa，并且具有较低地热膨胀系数0．7×10^-6／℃。     

Influence of substitution of Nd^3＋ for Bi^3＋ on structure and piezoelectric properties of SrBi2-xNdxNb2O9 （x=0, 0.1, 0.2 and 0.4）

SrBi_2?χNd_χNb₂O₉ (χ=0, 0.1, 0.2 and 0.4) bismuth layer-structured ferroelectric ceramics were prepared by the solid-state reaction sintering method. The accurate position of Nd element in SrBi_2?χNd_χNb₂O₉ ceramics was determined by the X-ray Rietveld method and Synchrotron radiation X-ray absorption fine structure (XAFS) technology. The partial substitution of Nd³⁺ for Bi³⁺ leads to the decrease in the distortion of NbO₆ octahedron for SrBi_2?χNd_χNb₂O₉ ceramics and also lowers the piezoelectric properties of SrBi_2?χNd_χNb₂O₉ ceramics. Meanwhile, the temperature coefficient of resonant frequency (TCF) decreases when Nd element partially replaces Bi element in SrBi_2?χNd_χNb₂O₉ ceramics.     

Effect of second introduced phase on magnetotransport properties of La2/3Sr1/3MnO3/0.33（CuO,ZnO, Al2O3） composites

The structure, magnetic and magnetotransport properties of La2/3Sr1/3MnO3（LSMO）/0.33（CuO, ZnO, Al2O3） composites were investigated to explore the role of second introduced phase. The microstructural analysis shows two kinds of grain boundaries： LSMO/LSMO and LSMO/second phase/LSMO. Two maximal resistivities appear in LSMO/0.33CuO and LSMO/0.33ZnO composites while the resistivity of LSMO/0.33Al2O3 decreases monotonically with increasing the temperature from 200 K to 400 K. Moreover, the temperature dependence of magnetoresistance（MR） of LSMO/0.33A1203 that decreases monotonically with increasing the temperature is different from that of LSMO/0.33CuO and LSMO/0.33ZnO. A developed two-channel model consisting of scattering model and tunneling model was proposed to fit the resistivity—temperature curves of these composites. The role of second introduced phase and the magnetotransport mechanism of these composites were elucidated.     

Magnetoresistance and magnetization of La2／3 （Ca0. 60 Ba0. 40 ） 1／3 MnO3 in different temperature ranges

A polycrystalline La2/3 (Ca0. 60 Ba0. 40 ) 1/3 MnO3 was prepared by standard solid reaction method. Magnetization(M) and magnetoresistance of the sample were measured between T= 77 K and 350 K. It is found that some correlations exist in the external field dependency of the magnetoresistance magnetoresistance and M in the low and high temperature regions. Moreover, there are different magnetic field dependence of magnetoresistance and magnetization in different temperature ranges, which indicates the presence of different magnetoresistance mechanisms.Based on the models of spin-polarized tunneling and percolation model, the simulated magnetoresistance obtained using Monte Carlo method well explains the experimental fact.