基于温度冲击的冷冻靶氘氘冰层结晶生长行为研究

惯性约束聚变冷冻靶中氘氘（D₂）冰层的质量对聚变实验的成功与否起重要作用。目前文献报道的制备冷冻靶D₂冰层的方法并不具备好的可操作性，且技术、工艺不定型，制约了高质量冰层的形成。因此，本文采用将温度梯度、降温速率和温度冲击相结合的技术实现燃料冰层在靶丸内的均化。通过温度控制以及施加温度冲击可控地形成残留冰，并在残留冰的控制技术基础上，实现了高质量冰层的可控结晶生长。同时，研究了温度控制对靶丸内D₂冰层品质的影响和D₂冰层结晶生长的过程，并应用晶体生长动力学理论分析了D₂冰层结晶生长行为。从背光阴影图像中的D₂冰层亮环可知，D₂冰层均匀度为85.2%、厚度为40.35 μm、内表面粗糙度为2.15 μm。本方法拓宽了超低温下D₂冰籽晶控制、晶体生长技术，为DT冷冻靶中冰层均化打下了坚实基础，并形成了一定的技术储备。     

Effect of annealing on the structural and optical properties of laser ablated nanostructured barium tungstate thin films

High quality BaWO₄ thin films are successfully deposited on quartz substrate for a duration of 30 min using pulsed laser ablation technique and using a laser radiation of wavelength 355 nm and the effect of thermal annealing on the structural and optical properties is studied by using techniques like X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy, micro-Raman, FTIR and UV–visible spectroscopy. All the films show monoclinic crystalline structure with (2 0 2) plane as the preferred orientation of crystal growth. From the XRD analysis it is found that the optimum annealing temperature for better crystallization of the BaWO₄ film is 700 °C and there is no phase change observed with annealing temperature. The presence of the characteristic bands for the BaWO₄ in the Raman spectra of the films suggests the formation of BaWO₄ crystalline phase in all the films. SEM and AFM analyses show that as the annealing temperature increases the connectivity between individual grains increases and shows an ordered packing. The geometrical optimization and energy calculation of the title compound were done using the Gaussian 09 software package and the calculations were carried out using the CAM-B3LYP functional combined with standard Lanl2Dz basis set. The thickness of the films was calculated using lateral SEM images and also from optical transmission spectral data using PUMA software.     

Formation of ST12 phase Ge nanoparticles in ZnO thin films

In this work, we focus on the Ge nanoparticles (Ge-np) embedded ZnO multilayered thin films. Effects of reactive and nonreactive growth of ZnO layers on the rapid thermal annealing (RTA) induced formation of Ge-np have been specifically investigated. The samples were deposited by sequential r.f. and d.c. sputtering of ZnO and Ge thin film layers, respectively on Si substrates. As-prepared thin film samples have been exposed to an ex-situ RTA at 600 °C for 60 s under forming gas atmosphere. Structural characterizations have been performed by X-ray Diffraction (XRD), Raman scattering, Secondary Ion Mass Spectroscopy (SIMS), and Scanning Electron Microscopy (SEM) techniques. It has been realized that reactive or nonreactive growth of ZnO layers significantly influences the morphology of the ZnO: Ge samples, most prominently the crystal structure of Ge-np. XRD and Raman analysis have revealed that while reactive growth results in a mixture of diamond cubic (DC) and simple tetragonal (ST12) Ge-np, nonreactive growth leads to the formation of only DC Ge-np upon RTA process. Formation of ST12 Ge-np has been discussed based on structural differences due to reactive and nonreactive growth of ZnO embedding layer.     

Insight into enhanced hydrogen evolution of single-atom Cu1/TiO2 catalysts from first principles

Developing efficient catalysts of low-cost transition metals for hydrogen production is of great importance but remains a huge challenge. Motivated by the idea of engineering local atomic configuration, we propose to focus on single metal atom confined in the lattice oxygen environment, as a class of non-Pt catalysts for hydrogen production. By first principles calculations, we study the characteristics and mechanism of hydrogen evolution reaction of single-atom Cu supported on anatase TiO₂ catalysts, Cu₁/TiO₂. Cu preferentially sits on the bridge-centre site between two 2-fold coordinated O atoms (O_2c) on the surface. Cu and coordinated O_2c function as copper oxide species (-Cu-O-) in the reaction. The reaction starts with two isolated H respectively positioned on Cu and O_2c, proceeds with a transfer of H from O_2c to Cu, and eventually forms a H₂ molecule. The free energy profiles indicate that Cu₁/TiO₂ exhibits excellent hydrogen evolution activity even better than Pt and MoS₂. This study not only shows that single-atom Cu₁/TiO₂ is an excellent hydrogen evolution catalyst, but also expands the understanding of oxide species in single-atom catalysis and proposes an engineering local atomic configuration strategy for optimizing the design of single-atom catalysts for enhanced hydrogen production.     

A molecular model for ion dehydration in confined water

Although ion dehydration in confined water is ubiquitous in many important processes concerning ion adsorption, transport and separation, and so forth, few theoretical models have been developed to unravel the mechanism of dehydration in confined space. Herein, a molecular model is proposed by weighing the molecular orientation of surrounding water within the first hydration shell, and then this model is applied to predict the hydration numbers and hydrated radii of simple ions with the help of molecular density functional theory. The predictions are rationalized not only with parallel simulations but also with relevant experimental measurements. We find that the ion hydration in confined water is depressed owing to the confinement, and thus the multilayer hydration shell is disturbed, which results in the decline of hydration number and hydrated radius, favoring the ion dehydration. This work provides an insightful route toward the quantitative understanding and prediction of ion dehydration in confined water.     

Molecule-confined modification of graphitic C3N4 to design mesopore-dominated Fe-N-C hybrid electrocatalyst for oxygen reduction reaction

To design inexpensive carbon catalysts and enhance their oxygen reduction reaction (ORR) activity is critical for developing efficient energy-conversion systems. In this work, a novel Fe-N-C hybrid electrocatalyst with carbon nanolayers-encapsulated Fe₃O₄ nanoparticles is synthesized successfully by utilizing the molecular-level confinement of graphitic C₃N₄ structures via hemin biomaterial. Benefiting from the Fe-N structure prevalent on the carbon nanosheets and large mesopore-dominated specific surface area, the synthesized catalyst under optimized conditions shows excellent electrocatalytic performance for ORR with an E_ORR at 1.08 V versus reversible hydrogen electrode (RHE) and an E_1/2 at 0.87 V vs. RHE, and outstanding long-term stability, which is superior to commercial Pt/C catalysts (E_ORR at 1.04 V versus RHE and E_1/2 at 0.84 V versus RHE). Moreover, the low hydrogen peroxide yield (<11%) and average electron transfer number (~3.8) indicate a four-electron ORR pathway. Besides, the maximum power density of the home-made Zn-air battery using the obtained catalyst is 97.6 mW cm⁻². This work provides a practical route for the synthesis of cheap and efficient ORR electrocatalysts in metal-air battery systems.     

钢管混凝土核心柱轴压组合性能分析

对于钢管混凝土核心柱,核心钢管混凝土和外围普通混凝土的受压性能存在明显差异,本文分析了外围混凝土体积配箍率等因素对柱协同工作的影响,推导出了临界状态时外围混凝土柱的配箍率,并与试验值进行对比,吻合良好。     

预应力高强混凝土管桩基础若干实践问题

考察了广东地区预应力高混凝土管桩 (PHC桩 )在工程实践中存在的问题 ,对不同的地质状况下制定打桩收锤标准、桩约束设计、承载力计算、估算桩长等争议问题进行了论证 ,提出了修正技术方案     

FRP约束混凝土圆柱无软化段时的应力-应变关系研究

在国内外大量试验研究的基础上,比较分析了FRP、箍筋及钢管约束混凝土圆柱性能的差异。指出FRP约束混凝土圆柱的极限强度主要与FRP侧向约束强度、未约束混凝土强度及FRP形式等有关,并提出FRP约束圆柱后极限强度计算方法。指出已有的FRP约束混凝土圆柱极限应变计算方法误差均较大,本文提出新的极限应变计算方法:首先,发现FRP约束混凝土圆柱的极限泊松比趋向一恒定值,并建议了极限泊松比的计算公式,然后根据应变相容可确定FRP约束混凝土圆柱的极限应变。最后,建议了确定FRP约束混凝土圆柱无软化段时应力-应变关系的三折线模型,与已有的试验结果比较表明,模型简单且精度高,能适用于AFRP、GFRP、CFRP等不同类型及FRP管和FRP布等不同形式FRP约束的混凝土圆柱。