Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Fabrication of crescent-shaped ceramic microparticles based on single emulsion microfluidics

Ceramic microparticles have great potentials in various fields such as materials engineering, biotechnology, microelectromechanical systems, etc. Morphology of the microparticle performs an important role on their application. To date, it remains difficult to find an effective and controllable way for fabricating nonspherical ceramic microparticles with 3D features. This work demonstrates a method that combines UV light lithography and single emulsion opaque-droplet-templated microfluidic molding to prepare the crescent-shaped ceramic microparticles. By tailoring the intensity of UV light and flow rate of fluid, the shapes of microparticles are accordingly tuned. Therefore, varieties of crescent-shaped microparticles and their variations have been fabricated. After sintering, the crescent-shaped alumina ceramic microparticles were obtained. Benefitting from the light absorption and scattering behavior of most ceramic nanoparticles, this system can serve as a general platform to produce crescent-shaped microparticles made from different materials, and hold great potentials for applications in microrobotics, structural materials in MEMS, and biotechnology.     

掺钪AlN材料特性及HBAR器件性能研究

该文基于掺钪AlN薄膜制备了高次谐波体声波谐振器(HBAR),研究了钪(Sc)掺杂浓度对AlN压电薄膜材料特性及器件性能的影响。研究表明,当掺入Sc的摩尔分数从0增加到25%时,压电应力系数e₃₃增加、刚度 下降,导致Al₁-_xSc_xN压电薄膜的机电耦合系数 从5.6%提升至15.8%,从而使HBAR器件的有效机电耦合系数 提升了3倍。同时,当Sc掺杂摩尔分数达25%时,Al₁-_xSc_xN(x为Sc掺杂摩尔分数)压电薄膜的声速下降13%,声学损耗提高,导致HBAR器件的谐振频率和品质因数降低。     

基于发展科学探究能力的高中化学教学实践 ——以"元素周期律"章节为例

基于学生在学习元素周期律时存在的普遍问题改进了教学实践,分析了元素周期律发展学生科学探究能力的价值,设计了四个教学环节——趣味导入,成果展示;分析规律,做出猜想;设计方案,收集证据;梳理模型,迁移应用,并提出了三点针对学生探究能力发展的教学建议.     

Phase constitution,microstructure and mechanical properties of a Ni-based superalloy specially designed for additive manufacturing

In this study, a kind of Ni-based superalloy specially designed for additive manufacturing (AM) was investigated. Thermo-Calc simulation and differential scanning calorimetry (DSC) analysis were used to determine phases and their transformation temperature. Experimental specimens were prepared by laser metal deposition (LMD) and traditional casting method. Microstructure, phase constitution and mechanical properties of the alloy were characterized by scanning electron microscopy (SEM), transmission scanning electron microscopy (TEM), X-ray diffraction (XRD) and tensile tests. The results show that this alloy contains two basic phases, γ/γ', in addition to these phases, at least two secondary phases may be present, such as MC carbides and Laves phases. Furthermore, the as-deposited alloy has finer dendrite, its mean primary dendrite arm space (PDAS) is about 30-45 μm, and the average size of γ' particles is 100-150 nm. However, the dendrite size of the as-cast alloy is much larger and its PDAS is 300-500 μm with secondary and even third dendrite arms. Correspondingly, the alloy displays different tensile behavior with different processing methods, and the as-deposited specimen shows better ultimate tensile stress (1,085.7±51.7 MPa), yield stress (697±19.5 MPa) and elongation (25.8%±2.2%) than that of the as-cast specimen. The differences in mechanical properties of the alloy are due to the different morphology and size of dendrites, γ', and Laves phase, and the segregation of elements, etc. Such important information would be helpful for alloy application as well as new alloy development.     

基于有限元的区域分解方法在永磁聚焦系统仿真中的应用

随着计算机技术以及并行求解技术的发展,区域分解方法越来越多地应用于计算电磁学的各个领域.针对微波管中的永磁聚焦系统仿真,该文提出一种基于有限元的非重叠区域分解方法,其引入一种新型传输条件,并采用内罚的方式推导出有限元弱形式.该区域分解法的最大优势是不需要引入多余的未知量,并且最终集成的有限元矩阵满足对称正定性,适合采用预处理共轭梯度法进行矩阵方程的求解.该文仿真了多个微波管永磁聚焦系统,并与商业软件Maxwell进行了详细的对比,结果表明所提出的区域分解方法和Maxwell精度相当,却拥有着更加优越的计算性能.