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.     

基于形态特征提取的急性下壁心肌梗死BiLSTM网络辅助诊断算法

急性下壁心肌梗死是一种病发急、进展快、致死率高的心脏疾病,该文提出一种新颖的基于形态特征提取的BiLSTM神经网络分类的急性下壁心肌梗死辅助诊断算法,可大幅度提高医生对急性下壁心肌梗死疾病的诊断效率并有助于及时确诊.算法包括:对胸痛中心数据库心拍信号进行降噪及心拍分割;根据临床心内科医学诊断指南提取了12导联波形距离特征和分导联波形幅值特征;依据提取的特征搭建LSTM与BiLSTM神经网络进行心拍的分类识别;使用PTB公开数据库和胸痛中心数据库多临床中心进行交叉验证.实验结果表明,加入胸痛中心真实临床数据后,基于形态特征提取BiLSTM神经网络的急性下壁心肌梗死辅助诊断算法准确率达到99.72％,精度达到99.53％,灵敏度达到100.00％,同时F1-Score达到99.76.该算法比其他现有算法准确率提高至少1％,该项研究具有非常重要的临床应用价值.     

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.     

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.     

主存高效的公交网络路径规划索引

在公交时间表下给定起始和目标站点,路径规划查询返回一组到达时间早和换乘次数少的帕雷托最优路径.现有的索引方法需要大量运行时内存.本文提出主存空间高效的索引方法(a-)PAINT.(a-)PAINT对每个站点v预计算一组标签,使得对于从站点s到站点d的查询可以通过匹配s和d相关的标签高效地生成查询结果的一条路径.PAINT对任意查询返回最优路径.a-PAINT只需要很小的预处理开销,但可能返回多一趟换乘的次优路径.用真实的公交时间表与模拟查询测试,PAINT具有合理的预处理开销.a-PAINT需要更少量的预处理开销,在大规模公交网络下准确率达90％.     

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.     

Tempering–preservation treatment inactivated lipase in wheat bran and retained phenolic compounds

Wheat bran is rich in functional ingredients, but the high level of lipase limits its applications. Tempering–preservation treatment (at 70–90 °C with moisture of 20%–40% for 1–4 h) was exploited for stabilising wheat bran and its effect on polyphenols was investigated. The results showed that more lipase was inactivated at higher tempering moisture, temperature and longer time. The optimum condition for inactivation of wheat bran lipase was 30% moisture and 90 °C for 4 h. The inactivation rate reached 93.8% with a residual enzyme activity of 0.264 U g⁻¹. Under the optimum condition, the sum of free phenolic acids rose from 25.4 to 55.8 µg g⁻¹. As for bound phenolic acids, there was a slight increase of hydroxybenzoic acid derivatives but a slight decrease of hydroxycinnamic acid derivatives. The total contents of phenolic acids before and after stabilisation were not significantly different. This study showed the possibility of using tempering–preservation as an efficient method for inactivation of wheat bran lipase while maintaining its phenolic compounds, which could be used in the production of whole wheat flour.