Rate equation theory for the hydrogenation kinetics of Mg-based materials

A uniform solid product layer normally assumed in the shrinking-core model cannot predict the kinetic transition behavior of the H₂ adsorption reactions. In this study, the concept of a uniform solid product layer has been replaced by that of the inward growth of solid products on the solid surface. A rate equation is established to calculate the inward growth of the solid product and was implemented into the shrinking-core model to calculate the H₂ adsorption kinetics for various shapes of Mg-based materials. The prediction accuracy of the developed model is verified from the detailed experimental data. To account for the external gas diffusion around the particle and the intraparticle gas diffusion, an analytical equation is derived using the Thiele modulus method. This model can be used to analyze various kinetic aspects and to analyze the effect of change in the particle microstructure on intraparticle diffusion.     

Hydrogen storage and electrochemical properties of annealed low-Co AB5 type intermetallic compounds

The structure, hydrogen storage and electrochemical properties of annealed low-Co AB₅-type intermetallic compounds have been investigated. La-alloy, Nd-alloy and Cr-alloy are used to represent La_0.8Ce_0.2Ni₄Co_0.4Mn_0.3Al_0.3, La_0.6Ce_0.2Nd_0.2Ni₄Co_0.4Mn_0.3Al_0.3 and La_0.6Ce_0.2Nd_0.2Ni_3.8Co_0.4Mn_0.3Al_0.3Cr_0.2, respectively. The XRD results indicated that annealed samples are all single-phase alloys with CaCu₅ type structure. The maximum of both hydrogen content and discharge capacity is obtained for La-alloy 1.23 wt%H₂ and 321.1 mA h/g, respectively. All the investigated alloys are quiet stable with ΔH of hydrogen desorption about 36–38 kJ/mol H₂. Cycle life of alloy electrode has been improved by partial substitution of La for Nd and Ni for Cr. The highest capacity retention of 92.2% after 100 charge/discharge cycles at 1C has been observed for Nd-alloy. The hydrogen diffusion coefficient measured by PITT is higher at the start of charging process and dramatically reduces by 2–3 order of magnitude with saturation of β-hydride. The highest value 6.9 × 10^?13 cm²/s is observed for La alloy at 100% SOC. Partial substitution La for Nd and Cr for Ni in low-Co AB₅ metal hydride alloys slightly reduces maximum discharge capacity, HRD performance and hydrogen diffusion kinetics. Low-Co alloys show good overall electrochemical properties compared to high-Co alloys and might be perspective materials for various electrochemical applications.     

On chemical and diffusional interactions between PCBN and superalloy Inconel 718: Imitational experiments

During a metal cutting process, chemical wear can become the dominant mechanism of tool degradation under the high temperatures and contact pressures that arise between the tool and the metal workpiece. This study focuses on the chemical and diffusional interactions between superalloy Inconel 718 and cubic boron nitride (cBN) tool material with and without TiC binder. It covers thermodynamic modeling and experimental tests in the pressure range of 0.1 Pa to 2.5 GPa at temperatures up to 1600 °C. The methods used include diffusion couples under both vacuum and high pressure, transmission electron microscopy (TEM) analysis and in-situ synchrotron observations. It is shown that cBN is prone to diffusional dissolution in the metal and to reactions with niobium, molybdenum, and chromium from Inconel 718. Adding TiC binder changes the overall degradation process because it is less susceptible to these interaction mechanisms.     

Comprehensive numerical study of molecular diffusion effects and Eddy Dissipation Concept model in MILD combustion

Moderate or Intense Low-oxygen Dilution (MILD) combustion is a clean combustion technology with high thermal efficiency and low levels of emissions. In this paper, by employing Adelaide Jet-in-Hot-Co-flow (AJHC), several approaches are examined to increase the numerical solution accuracy. First, molecular diffusion effects are investigated in MILD combustion. Second, adjusting the Eddy Dissipation Concept (EDC) coefficients is comprehensively discussed, and finally, the reaction fraction coefficient and EDC formulation are investigated. The results show that the effect of enthalpy transport caused by molecular diffusion on the energy equation must be considered in the low oxygen concentration regions. Also, the maximum temperature in the MILD region can be kept constant by adjusting EDC coefficients. Furthermore, it is shown that applying the reaction fraction factor increases the accuracy of the numerical solution in the MILD region.     

Effect of fiber orientation on Liquid–Gas flow in the gas diffusion layer of a polymer electrolyte membrane fuel cell

In this study, the lattice Boltzmann method was used to simulate the three-dimensional intrusion process of liquid water in the gas diffusion layer (GDL) of a polymer electrolyte membrane fuel cell (PEMFC). The GDL was reconstructed by the stochastic method and used to investigate fiber orientation's influence on liquid water transport in the GDL of a PEMFC. The fiber orientation can be described by the angle between a single fiber and the in-plane direction; three different samples were simulated for three different fiber orientation ranges. The simulated permeability correlated well with the anisotropic characteristics of reconstructed carbon papers. It was concluded that the fiber orientation had a significant effect on the liquid invasion pattern in the GDL by changing the pore shape and distribution of the GDL. The results indicated that the stochastically reconstructed GDL, taking into account the fiber orientation, better demonstrates the mass transport properties of the GDL.     

大型MOX燃料快堆钠空泡反应性微扰理论研究

钠空泡反应性效应是钠冷快堆核设计和安全分析的重要内容。本文基于多群节块扩散法，采用微扰理论推导出钠空泡反应性的计算方法，对1 000 MWe钠冷快堆MOX燃料堆芯的总钠空泡反应性、空间分布、物理分项进行了计算。结果表明，钠空泡反应性主要来源于中子泄漏的增加和能谱的硬化，两者一正一负，且空间分布规律相反，导致钠空泡反应性具有强烈的空间依赖性；对于所计算的MOX燃料堆芯钠空泡反应性高达3 $左右。计算和分析结果阐明了钠空泡反应性的产生机理和分布规律，可为低钠空泡的设计提供参考。     

基于MOOSE开发的中子扩散问题求解程序

基于MOOSE平台，开发了用JFNK方法求解中子扩散本征值、瞬态问题的程序。在程序中实现了反照率边界条件和真空边界条件的设置。通过基准题TWIGL对程序进行了验证，发现对于本征值和瞬态问题，模拟解和参考解都是一致的。程序中采用全隐式Newton法求解中子本征值问题，并与经典幂迭代法进行了对比，发现Newton法能极大减少非线性步的步数，大幅加快收敛速度。采用全空间时空动力学对中子瞬态问题进行求解，可精确跟踪空间中任何一点在瞬态过程中的变化，时间项处理采用向后欧拉差分，时间步长为0.01 s和0.05 s的计算结果和采用0.001 s为时间步长的参考解吻合得很好，说明程序在较大的时间步长下也能保证问题的收敛性和精度。     

Solid-state joining of SiC using a thin Ti3AlC2, TiC,or Ti filler

SiC monoliths containing 5 wt.% Al₂O₃-Y₂O₃ additive were joined using a thin Ti₃AlC_2, TiC, or Ti filler. After joining at 1900 °C for 5 h under 3.5 MPa, the joint properties were compared in terms of the microstructure, phase evolution, joining strength, and possible elimination of the joining layer. Although all samples showed a sound joint, the microstructure differed according to the filler. SiC joined with Ti₃AlC₂ filler showed an indistinguishable joining interface due to the filler decomposition followed by solid-state diffusion into the SiC base, whereas TiC filler remained at the interface without showing decomposition or diffusion. In contrast, the Ti filler showed a possible elimination of the joining layer because of the diffusion of Ti and the formation of TiC. The mean joining strengths for the Ti₃AlC₂, TiC, and Ti fillers were 300, 234, and 248 MPa, respectively, which were comparable to that of the base SiC material (250 MPa).     

马氏体-奥氏体复合钢复合层数对组织性能的影响

 开发更高性能的钢铁材料是促进“双碳”目标达成的有效途径之一。引入碳扩散是制备超高强度-高塑性复合钢的有效方法。在课题组前期研究基础上,利用真空热轧的方式制备不同层数的复合钢。通过增加层数,减小了复合钢内各层的厚度,复合钢在1 150 ℃热轧复合后继续保温过程,实现碳元素从高碳层向低碳层的扩散。利用扫描电子显微镜、FEI-透射电子显微镜及X射线衍射仪对组织及相组成进行了分析,利用电子探针显微分析仪测量了元素分配情况,并进行了硬度和拉伸性能测试。结果表明,随着层数的增加,复合钢内碳元素分布发生了明显的变化,马氏体层内部的碳含量逐渐升高,奥氏体层内部的碳含量逐渐降低,碳元素浓度差逐渐降低。同时,复合钢的屈服强度、抗拉强度和总伸长率呈现出先增加后降低的趋势。当复合钢内层数为9、11层时,其强度和塑性均超过单层马氏体钢;均匀伸长率随复合钢层数的增加而逐渐提高,15层复合钢取得了最大值(约10.1%)。9层复合钢获得了最佳的强度和塑性组合,与单层马氏体钢相比,抗拉强度(1 733 MPa)和伸长率(23.6%)分别提高了60 MPa和7.1%;同时其塑性也超过了单层奥氏体钢。此外,随着层数的增加,也导致奥氏体层比例逐渐提高,导致15层复合钢的强度低于单层马氏体钢的强度。     

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.