摘要：CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.

摘要：针对图神经网络(graph neural network,GNN)模型缺乏相应的探针这一问题,提出面向图神经网络表征学习的知识探测框架,基于不同领域数据的类别属性设计2种类别感知的知识探针,分别为聚类探针和对比聚类探针。2种探针分别探测不同模型的表征效果并给出相应的分数。在引用网络、社交网络和生物网络等3个邻域的8个数据集上,对7个经典的图神经网络模型的表征学习实现了系统性地知识探测和评估实验,归纳出探测和评估结论。

摘要：质子交换膜(PEM)电解水制氢技术是可再生能源存储与转化的重要技术手段。目前,国内外研究者在非贵金属析氧反应(OER)催化剂方面开展了大量的工作。但是,在PEM电解水阳极的强酸性条件下,催化剂仍难以兼顾催化活性和稳定性。为此,本文对PEM电解水用非贵金属酸性介质OER催化剂的研究进行了系统总结和分析。首先,基于PEM装置的工作特点提出了PEM电解水用OER催化剂的性能指标;第二,阐述了OER催化过程的基本原理;第三,系统介绍了碳基材料、过渡金属氧化物、过渡金属硫化物、过渡金属磷化物和多金属氧酸盐等非贵金属OER催化剂的研究进展,重点分析了其催化活性和稳定性的改进策略;最后,从PEM电解水需求和材料改性两方面对OER催化剂的设计进行了展望。

摘要：为解决现有护理床器械背板牵扯患者背部衣物而造成其不适难题,设计了一款护联动式理床抬背结构。该机构主要采用联动连杆滑块结构,实现患者起背过程中靠背板跟随患者背部的位姿变化而改变。依据矢量方程建立联动机构运动理论模型,并通过MATLAB仿真模块对联动机构进行了运动仿真实验,实验结果表明:仿真实验数据与理论计算结果整体趋势性较好,验证了结构设计的正确性和可行性。

摘要：利用TRNSYS瞬时仿真模拟软件建立地源热泵低温地板辐射供冷供热系统模型,对严寒地区办公建筑地源热泵低温地板辐射系统长期运行情况进行模拟,结合连续性实验,对软件模拟和实验得到的数据进行分析,并用实验得到的数据对数值模拟得到的结果进行验证.通过对不同机组选型、不同地埋管换热器钻孔个数、不同单位井深换热量工况下,系统长时间连续运行时机组平均COP以及土壤温度场进行模拟,发现机组容量越接近37.5 kW,COP越高,钻孔15~20个、单位井深换热量18~24 W时可以达到最佳运行效率.