Numerical investigation on heat transfer characterization of liquid lithium metal in pipe

Liquid Li metal is a promising nuclear reactor coolant; however, relevant research regarding its heat transfer characteristics remains insufficient. In this study, a steady-state two-dimensional mathematical model is established to describe the heat transfer process of liquid Li in a straight pipe. A numerical analysis is conducted to investigate the effects of inlet velocity, inlet temperature, and wall heat flux on heat transfer in liquid Li. The results indicate the advantage of using liquid Li for improving heat transfer at high inlet temperatures (> 1000 K) compared with using liquid sodium and lead–bismuth eutectic. Considering the mechanism of the outlet radial heat flow model, the ratio of turbulent to molecular diffusion coefficients presents a parabolic distribution along the radius of the pipe. Increasing the inlet velocity, decreasing the inlet temperature, and decreasing the wall heat flux can effectively weaken the dominant role of molecular heat transfer owing to the low Prandtl number of liquid Li. The heat transfer of liquid Li is investigated comprehensively in this study, and the results provide a basis for the practical application of liquid Li as a promising coolant.     

单原子Co修饰TiO2(101)面的结构和析氢性能的第一性原理研究

通过基于密度泛函理论（DFT）+U的第一性原理方法研究了单原子Co在TiO₂（101）面的掺杂位置和方式、几何结构和整体能量以及掺杂后产物的制氢反应机制，得到了稳定且易出现的单原子修饰结构，即单原子Co吸附在4个O组成的表面空隙的中心位，记为Co/TiO₂（101）。进一步对Co/TiO₂（101）的析氢反应过程和性能进行研究，确定了当且仅当TiO₂（101）面完成表面羟基化反应后，H原子全覆盖的TiO₂（101）表面才能进行后续的析氢反应；此时单原子Co是唯一的反应位点，整体的制氢反应自由能ΔG_H*比Co（111）面更加趋近于0，显示出其具有远优于金属Co的催化性能。此外，Co和TiO₂间的电荷转移和相互作用使TiO₂带隙出现新的掺杂能级，可带来作为光催化基材的TiO₂光吸收性能的改善。     

The landing zone – Ground for model transfer in chemistry

This essay proposes a new notion - the landing zone - in order to identify conceptual features that allow modelers to transfer mathematical tools across disciplinary borders. This discussion refers to the transferable models as ‘templates’. Templates are functions, equations, or computational methods that are capable of being generalized from a particular subject matter. There are formal and conceptual prerequisites for the transfer of a template to a new domain. A landing zone is an ontology that contributes to the satisfaction of these conditions for successful transfer. This paper presents a case study on a model in chemistry - the Quantum Theory of Atoms in Molecules (QTAIM) - that makes use of transferred templates from physics - the virial theorem and the wave function. The landing zone in this case is a new ontological notion, that of the topological atom, which prepares ground for the use of the virial theorem and the wave function in chemistry. The virial theorem requires that there exists in-principle stability to the system that it represents, and the wave function requires transformation in its representation that is justified. The ontology of QTAIM - the landing zone for these templates - grounds the scientific use of these templates in the context of chemistry.     

R型半胱氨酸体系电荷转移百分数的理论计算

采用密度泛函理论中的CAM-B3LYP方法, 在6-31G(d)基组水平上优化气相条件下R型半胱氨酸(R-Cys)分子的几何构型, 理论研究电子激发过程中R-Cys体系片段间的电荷转移特征, 并基于弛豫与非弛豫激发态密度计算片段间的电荷转移百分数. 结果表明: 对于SH片段, S0到S3的电荷转移百分数为57.96%； 对于COOH片段, S0到S1~S5各激发态的电荷转移百分数均为负值, 二者电荷转移的定性结果一致； 对于NH2片段, S0到S1和S4的电荷转移百分数分别为6.98%和31.45%.     

基于改进多目标遗传算法的连铸二冷过程优化

采用一种改进的多目标遗传算法对二冷工艺进行优化.改进的多目标遗传算法应用概率法选取选择算子，根据适应度值来动态计算交叉和变异概率，能够得到更好的全局最优解，提高算法精度和整体性能.在基于凝固传热模型的二冷优化过程中，采用变间距差分法离散求解传热方程，对比粒子群算法、多目标遗传算法，改进的多目标遗传算法搜索效率高，得到的价值函数最小.在实际生产中，采用优化后的二冷工艺，使得总用水量减少约10%，提高了铸坯质量，达到了节能降耗的要求.     

粉末冶金法制备混杂增强铜基复合材料的增强体竞争析出行为研究

Copper matrix composites reinforced by in situ-formed hybrid titanium boride whiskers (TiB_w) and titanium diboride particles (TiB_2p) were fabricated by powder metallurgy. Microstructural observations showed competitive precipitation behavior between TiB_w and TiB_2p, where the relative contents of the two reinforcements varied with sintering temperature. Based on thermodynamic and kinetic assessments, the precipitation mechanisms of the hybrid reinforcements were discussed, and the formation of both TiB_w and TiB_2p from the local melting zone was thermodynamically favored. The precipitation kinetics were mainly controlled by a solid-state diffusion of B atoms. By forming a compact compound layer, in situ reactions were divided into two stages, where Zener growth and Dybkov growth prevailed, respectively. Accordingly, the competitive precipitation behavior was attributed to the transition of the growth model during the reaction process.     

贵州山核桃ISSR-PCR反应体系建立及优化

为建立贵州山核桃ISSR-PCR最佳反应体系,采用单因素试验的方法,对影响ISSR-PCR反应体系的模板DNA浓度、MgCl2浓度、d NTPs浓度、Taq酶用量、引物浓度等各因素进行了研究,确立了贵州山核桃ISSR-PCR的最佳反应体系。结果显示:最优反应体系的模板DNA浓度为40ng/u L、引物浓度为0.3umol/L、Mg2+的浓度2.9mmol/L、酶浓度0.3U、d NTPs浓度0.2mmol/L,退火温度为54℃。建立该反应体系可为贵州山核桃ISSR标记开发、物种分类鉴定、遗传图谱构建等后续分析奠定基础。     

Synthesis of aluminum nitride in a coke-calcium reduction bed using nitrogen in air

An experimental study on the heating of a mixture of aluminum and lithium hydroxide (LiOH) powders in a reductive bed under air atmosphere is reported. The formation of aluminum nitride (AlN) during this process was the focus of this study. The formation of AlN was achieved using LiOH as an additive and heating the sample in a resistance furnace in a specially designed double crucible within a bed of a mixture of coke and filamentous calcium. The temperature range of the reaction was between 700°C and 1100°C. The optimum tem-perature of 1100°C and the optimum LiOH amount (5wt%) required to achieve maximum yield were determined by powder X-ray diffrac-tion (XRD) analysis. Scanning electron microscopy (SEM) micrographs clearly indicated the transformation of grain structures from rods (700°C) to cauliflower shapes (1100°C).     

同心双扭旋元件内外叶片数量对管内传热性能的影响

为探究同心双扭旋元件组合方式变化对换热管传热特性的影响规律，采用数值模拟方法对雷诺数Re=200~1 800范围内恒壁温条件下的管内传热进行了分析，并进行了实验验证。研究结果表明：在Re=200~1 800的范围内，含有4-4同心双扭旋元件换热管的努赛尔数Nu值最大，其次为3-3同心双扭旋元件，2-4与2-2同心双扭旋元件的Nu相差不大，最大仅相差5%；4-4同心双扭旋元件换热管的阻力系数f最大，其次为3-3同心双扭旋元件，2-4同心双扭旋元件的阻力系数略高于2-2同心双扭旋元件；2-2同心双扭旋元件换热管的综合传热性能评价因子（PEC）值最大，为1.50，且明显高于其他3种换热管，其余3种换热管的PEC值相差不大；4-4同心双扭旋元件换热管的场协同数F_c值最大，其余3种换热管的F_c值相差不大。     

考虑超固结比与泊松效应的荷载传递模型

为了分析超固结状态及泊松效应对砂土管桩界面剪切特性的影响，在传统双曲线荷载传递模型的基础上，采用考虑超固结比的侧向土压力系数，计入由泊松效应引起的侧向土压力增加值，建立能同时考虑砂土超固结比及管桩泊松效应的界面荷载传递模型，对其可靠性进行验证。通过算例对极限摩阻力影响因素进行分析，结果表明：超固结比从1.0增大到3.0，抗压桩和抗拔桩极限摩阻力近似呈线性增大，抗压桩提高约83.6%，抗拔桩提高约92.9%；泊松比从0.1增大到0.3，抗压桩极限摩阻力呈线性增大，提高约3.5%；抗拔桩极限摩阻力呈线性减小，降低约3.6%；桩土模量比从300增大到1 500，抗压桩极限摩阻力降低约7.6%；抗拔桩极限摩阻力提高约9.6%。