Effects of inclusion on the creep rate of piezoelectric films

This paper presents an analytical method to study the effect of inclusions in piezoelectric materials on the creep rate. The driven force for the creep rate of piezoelectric materials with inclusion is from diffusional mass transport along the inclusion interface. The results show that the creep rate of piezoelectric materials containing the rigid inclusion with the shape parameter m = 0.8 appears at the minimum, and the effect of inclusion volume fraction on the creep rate of piezoelectric materials with soft inclusion becomes the smaller and smaller, as the stiffness of soft inclusion decreases. Thus, the effect of inclusion on creep characteristics can be improved by controlling the material property, the sizes, shapes, and volume ratio of inclusions.     

CaO-SiO2-FeO-Cr2O3-MgO-MnO渣系物相组成的热力学计算

摘要：在含铬铁水转炉冶炼过程中，Cr很容易被氧化成Cr2O3进入渣中，并与渣中其他成分反应生成高熔点含铬尖晶石。采用FactSage热力学软件计算了CaO-SiO2-FeO-Cr2O3-MgO-MnO转炉渣系在冶炼温度1300～1700℃下的物相组成，研究了Cr2O3、FeO和碱度对炉渣中尖晶石相含量的影响规律。研究结果表明，温度和渣系成分都会影响炉渣的物相组成。渣系中含有Cr2O3时，物相中均含有MgCr2O4、FeCr2O4和MgFe2O4尖晶石相，尖晶石相的总含量随着Cr2O3和碱度的增加而增加，随着炉温的升高而减少。温度为1300～1500℃时，炉渣中尖晶石含量随着FeO的增加而增加；温度为1500～1700℃时，尖晶石含量随着FeO的增加而略有减少。在温度小于1500℃的转炉冶炼前中期，炉渣物相组成中尖晶石相所占比例较大，易造成化渣不良或者炉渣粘稠，影响转炉冶炼工艺的顺行。     

水电工程下泄生态基流常用计算方法及软件开发

为了分析及确立生态基流,为水电工程环境影响评价提供依据,针对水电工程生态基流估算及决策过程繁复等问题,以2001—2015年水电工程环境影响评价及相关法律法规为基础,分析我国生态基流管理实践中使用最广泛的4种计算方法,即Tennant法、月基本流量法、最小流量法及7Q10法,并编制生态基流决策支持软件,并应用软件在汉江流域进行实例验证。结果表明,该软件能够提供多种计算方法及对比分析功能,可为水电工程下泄生态基流计算及决策提供计算平台。4种计算方法在汉江流域计算结果差异较大。总体而言,干流适合最小流量法及Tennant法,支流适合Tennant法。研究成果具有较大的实际应用和推广价值。     

原始钻孔轨迹模型的建立及模拟方法的精度对比

建立原始钻孔轨迹模型,可以为各种轨迹模拟方法计算精度分析及误差因素量化分析提供数据基础。测点要素间的关系可以看作顶角、方位关于深度的函数关系,将这种函数关系模型化,可获得模型曲线的切向量关于深度的函数关系。以此为基础,用微分方法得到曲线三维坐标关于深度的导函数,再用积分方法即可得到原始钻孔轨迹模型曲线。该模型提供了不同弯曲强度条件下的原始钻孔测点要素和三维坐标,对全角半距法和最小曲率法2种模拟方法进行误差计算、对比和分析,验证了在计算精度上最小曲率法优于全角半距法。根据计算结果得出了2种方法在计算误差上的差异,并针对勘查钻孔和定向钻孔2种实际应用条件得出相应的计算精度。     

Simultaneous extraction of gold and zinc from refractory carbonaceous gold ore by chlorination roasting process

A novel process based on chlorination roasting was proposed to simultaneously recover gold and zinc from refractory carbonaceous gold ore by using NaCl as chlorination agent. The effects of roasting temperature, roasting time and NaCl content on the volatilization rates of gold and zinc were investigated. The reaction mechanism and the phase transition process were also analyzed by means of SEM, EDS and XRD. The results demonstrated that under the optimal conditions of NaCl content of 10%, roasting temperature of 800 °C, roasting time of 4 h and gas flow rate of 1 L/min, the rates of gold and zinc were 92% and 92.56%, respectively. During low-temperature chlorination roasting stage, a certain content of sulfur was beneficial to the chlorination reactions of gold and zinc; and during high-temperature chlorination roasting stage, the crystal structure of vanadium-bearing mica was destroyed, and the vanadium-containing oxides were beneficial to the chlorinating volatilization of gold and zinc. Eventually, the chlorinated volatiles of gold and zinc could be recovered by alkaline solution.     

Study on the interfacial properties of active Ti element/ZrO2 by using first principle calculation

Ti element is an important active element in brazing Zirconia ceramic (ZrO₂) ceramic. Therefore, the interface bonding mechanism of Ti and ZrO₂ was studied by using first principles calculation. Two kinds of interfaces with different termination and stacking sequence were established, and the interfacial bonding mechanism was studied using work of adhesion (W_ad), electronic behavior and interface energy. The results show that in the O-terminated interface, Ti and O form a strong ion-covalent bond at the interface, and the W_ad can reach 13.61 J/m². In the Zr-terminated interface, Ti and Zr form a metal-covalent bond, and the W_ad is 5.56 J/m². At a temperature of 1123K, when the lnP_O2 is larger than e⁻¹⁷, the O-rich interface is more stable in thermodynamics. Therefore, under the experimental condition, the interface tends to form Ti-O compounds when ZrO₂ is brazed using Ag(Ti) filler metal.     

Predictions of structural,electronic, mechanical,and thermodynamic properties of TMBCs (TM = Ti,Zr, and Hf) ceramics

In the present work, we have investigated the structural, electronic, elastic, and thermodynamic properties of transition-metal boron-carbon compounds (TMBCs) (TM = Ti, Zr, Hf) using the first-principles calculations. The results showed that TMBCs are energetically and thermodynamically stable, and the sequence of phase stability is HfBC > ZrBC > TiBC. B-C bonds can be formed in TMBCs ceramics due to the strong hybridization between B-2p and C-2p states. The elastic anisotropies of TMBCs were illustrated by elastic anisotropy indexes, 3D surface constructions, and 2D projections, and the results indicated that the sequence of elastic anisotropy is ZrBC > TiBC > HfBC. Finally, the calculated minimum thermal conductivities, based on the Clarke's and Cahill's models, of all TMBCs are anisotropic with the sequence of ZrBC > TiBC > HfBC.     

Defect chemistry of A site nonstoichiometry and the resulting dielectric behaviors in SrxTi0.985(Nb2/3Zn1/3)0.015O3 ceramics

Defect chemistry of Sr site nonstoichiometry in Sr_xTi_0.985(Nb_2/3Zn_1/3)_0.015O₃ ceramics and the resulting effects on the structure and dielectric behavior are systematically investigated by experiment and density functional theory (DFT) methods. The results indicate that, appropriate Sr deficiency benefits the dielectric properties and grain growth due to the creation of Sr vacancy. While Sr excess deteriorates the dielectric properties and inhibits the grain growth by forming a Ruddlesden-Popper structure. In Sr-deficient sample, more point defects arise and aggregate into defect clusters, resulting in great changes in local structures and the enhancement of dielectric properties. The Sr vacancy benefits the generation of oxygen vacancy, thus facilitating the localization of electrons and the decrease in dielectric loss. Besides, the electronic polarization and structural polarization are also improved by Sr vacancy and the resultant oxygen vacancy, leading to the further enhanced dielectric properties. These findings may facilitate the development of defect engineering towards novel multifunctional electronic materials.     

Analytical attractive functions and their derivatives in bulk and nanoconfined pores

In this paper, two new analytical attractive (alpha) functions and their derivatives in bulk and nanoconfined pores are developed based on the virial equation of state (EOS) and statistical thermodynamics and are evaluated at different conditions for the first time. A cubic EOS is modified to nanometer scale and applied to predict the thermodynamic and phase properties in bulk and nanoconfined pores coupled with the new analytical alpha functions. The nanoscale-extended EOS coupled with the analytical alpha functions are validated to be accurate by means of the experimental data for the thermodynamic and phase calculations. The alpha functions and dimensionless attractive term A for the O₂, Ar, CO₂, N₂, and C₁-C₁₀ are always positive and monotonically decrease with the temperature increases at T ≤ 2000 K in the bulk phase, whereas the second virial coefficients (B₂) are always negative and increase with the temperature increases. Moreover, the alpha functions, A, and B₂ for all of components remain constant with the decreasing pore radius until r_p = 50 nm, the former two of which decrease while the latter one increases by further reducing the pore radius. It should be noted that the intermolecular attractive force (ie, A) is a function of the pressure, which is gradually increased at P ≤ 10 MPa though drastically increases afterwards. Also, the enhanced confinement effects lead the same-component intermolecular attractive forces to be smaller. The analytical formulations in the SRK type slightly outperform in the gaseous or light component cases, while those in the PR type are better for the heavy component cases in terms of the thermodynamic property calculations, both of which are compatible with the modified EOS and analytical alpha functions.