First-principles investigation on stability and electronic structure of Sc-doped θ′/Al interface in Al−Cu alloys

The properties of Sc-doped θ′ (Al₂Cu)/Al interface in Al−Cu alloys were investigated by first-principles calculations. Sc-doped semi-coherent and coherent θ′ (Al₂Cu)/Al interfaces (Sc doped in Al slab (S1 site), Sc doped in θ′ slab (S2 site)) were modeled based on calculated results and reported experiments. Through the analysis of interfacial bonding strength, it is revealed that the doping of Sc at S1 site can significantly decrease the interface energy and increase the work of adhesion. In particular, the doped coherent interface with Sc at S1 site which is occupied by interstitial Cu atoms has very good bonding strength. The electronic structure shows the strong Al—Cu bonds at the interfaces with Sc at S1 site, and the Al—Al bonds at the interfaces with Sc at S2 site are formed. The formation of strong Al—Cu and Al—Al bonds plays an important role in the enhancement of doped interface strength.     

Enhanced inhibition on hydrogen permeation during electrodeposition process by rare earth (RE = Ce) salt additive

High-strength steel parts are electroplated with corrosion-resistant coatings and then subjected to hydrogen removal annealing to prevent hydrogen embrittlement. This approach has become the standard in the industry. However, it is not beneficial to energy conservation and emission reduction. Herein, a rare earth salt (Ce salt) additive is determined to be efficient for inhibiting hydrogen permeation during electroplating process. A modified Devanathan-Stachurski method was applied to investigate the hydrogen permeation behavior. Results demonstrated that the hydrogen permeation during direct current (DC) and pulsed current (PC) electrodeposition was considerably inhibited by the Ce salt additive. The amount of permeated hydrogen increased in the following order: PC electrodeposition with Ce＜PC electrodeposition＜DC electrodeposition with Ce＜DC electrodeposition. Therefore, the environmentally friendly additive has great potential for energy saving and emission reduction in the electrodeposition or pickling industry.     

Development of Ferromagnetic Superspins in Bare Cu Nanoparticles by Electronic Charge Redistribution

We report on the results of investigating the ferromagnetic properties of bare Cu nanoparticles. Three sets of bare Cu nanoparticle assemblies with mean particle diameters of 6.6, 8.1, and 11.1 nm were fabricated, employing the gas condensation method. Curie-Weiss paramagnetic responses to a weak driving magnetic field were detected, showing the appearance of particle superspins that overcomes the diamagnetic responses from the inner core. The isothermal magnetization displays a Langevin field profile together with magnetic hysteresis appearing even at 300 K, demonstrating the existence of ferromagnetic superspins in the Cu nanoparticles. Shifting of a noticeable amount of electronic charge from being distributed near the lattice sites in bulk form toward their neighboring ions in nanoparticles was found. The extended 3d and 4s band mixture are the main sources for the development of localized 3d holes for the development of ferromagnetic particle superspins in Cu nanoparticles.     

Modeling of the viscosity in the AL–Cu–Mg–Si system: Database construction

The viscosity database for the Al–Cu–Mg–Si system was constructed using the CALPHAD (CALculation of PHAse Diagram)-type formalism. Viscosities of pure elements were described with the Arrhenius formula based on the experimental data. Subsequently, viscosities of the Al–Cu, Al–Si, Al–Mg and Cu–Si binary systems were assessed via CALPHAD technique and compared with the corresponding experimental data. Due to the lack of experimental data, viscosities in the Mg–Si and Cu–Mg systems were estimated by means of the Hirai's equation. The viscosities of the ternary Al–Cu–Si system were then predicted based on the binary parameters and compared with the experimental results. Using the established viscosity database for the quaternary Al–Cu–Mg–Si system, the viscosities of some commercial aluminum alloys were predicted. The reasonable agreement between calculations and experiments in Al-rich corner indicates that the CALPHAD-type database for the viscosity is valid and the database is suitable for predicting the viscosity of the commercial Al–Cu–Mg–Si based alloys.     

Effect of Constant‐Rate Reduction on the Performance of a Ternary Cu/ZnO/Al2O3 Catalyst in Methanol Synthesis

A multi‐functional flow set‐up was developed for the rate‐ and temperature‐controlled reduction of copper catalysts, their application in high‐pressure methanol synthesis and the determination of the copper surface area by N₂O frontal chromatography. The influence of constant‐rate reduction on the catalytic properties of a ternary Cu/ZnO/Al₂O₃ catalyst was investigated. The temperature during the constant‐rate reduction was found to decrease, indicating autocatalytic kinetics, but no significant catalytic effect of the milder reduction conditions was observed compared with a slow linear heating ramp.     

Synthesis and thermal behavior of Cu/Y2W3O12 composite

Cu metal matrix composite with Y₂W₃O₁₂ as a thermal expansion compensator was fabricated by high energy ball milling followed by compaction and sintering, and its thermal properties were explored for the potential applications as heat sinks in electronic industries, high precision optics, and space structures. The volume fraction of reinforcement was varied from 40% to 70% in order to tailor the composite for the simultaneous accomplishment of low thermal expansion and high thermal conductivity. The synthesis technique was optimized by varying the parameters like milling time from 1 to 20 h and sintering temperature from 600 to 1000 °C in order to achieve densified composites. The relative density of the composites is found to be around 90% for the 10 h milled powders followed by compaction at a pressure of 700 MPa and sintering at a temperature of 1000 °C. The thermal expansion of the composites exhibits linear behavior in the temperature range 200 to 800 °C and the low coefficient of thermal expansion (CTE) is found to be for Cu–70%Y₂W₃O₁₂ composite whose value, 4.32±0.75×10⁻⁶/°C, matches with that of Si substrate. The thermal conductivities are found to increase with a decrease in the volume fraction of the reinforcement and decrease with an increase in the temperature for all the samples. The experimentally determined CTE and thermal conductivity values are found to be comparable to those predicted by the thermal expansion based Kerner and Turner model and the thermal conductivity based Maxwell model, respectively.     

四肽Trp-Gly-Gly-His的合成及其对铜离子的检测

用固相合成法,将能特异性识别Cu2+的三肽Gly-Gly-His(GGH)与具有荧光发射功能的Trp(W)偶联,得到了由天然氨基酸组成的Cu2+分子探针Trp-Gly-Gly-His(WGGH)。该探针具有水溶性好,响应时间快、无毒安全、检测窗口宽、高灵敏度和高选择性等优点。实验优化得到的最佳检测pH为7.5。该探针对Cu2+的检测范围为10~1500 nM,检测限为2 nM。     

二水偶氮四唑四氨合铜(Ⅱ)的合成及性能

以5-氨基四唑为原料,经氧化、配位反应合成了含能配位化合物二水偶氮四唑四氨合铜(Ⅱ)[Cu(NH3)4]ATZ·2H2O。用元素分析和红外光谱分析对目标化合物的结构进行了表征,测量了不同合成条件下所得该配位化合物的形貌及性能,用DSC和TG-DTG考察了目标化合物的热性能。结果表明,最佳合成条件为:n(偶氮四唑钠)∶n(硫酸铜)∶n(氨水)=1.0∶1.2∶7.9,反应温度为55℃,目标化合物的收率为70%,产物呈颗粒状,具有良好的流散性。[Cu(NH3)4]ATZ·2H2O经脱水敏化后的产物为[Cu(NH3)4]ATZ,[Cu(NH3)4]ATZ具有良好的火焰感度和撞击感度,可用作起爆药和击发药。[Cu(NH3)4]ATZ·2H2O的机械感度比[Cu(NH3)4]ATZ低,不能用作起爆药和击发药。     

微波消解-光谱法测定果蔬中的砷和铜

针对伊犁地区出口水果、蔬菜,采用微波消解仪一次性消解前处理,利用原子荧光法、火焰原子吸收法分别测定砷、铜两种微量元素。经过回收率和精密度试验,并以由地球物理地球化学勘探研究所生产的苹果（ GBW10019）标准品和菠菜（GBW10015）标准品进行回收试验,结果表明：标准样品的测定值均在参考值范围内,砷、铜两种微量元素的相对标准偏差在2.16％～6.96％之间。该方法实现了铜、砷元素的快速检测,且准确可靠能够满足实验要求。     

加料方式对共沉淀法制备的Cu/MnO/Al2O3催化剂性能的影响

采用共沉淀法制备Cu/MnO/Al₂O₃催化剂,运用N₂吸附-脱附、XRD、XRF和H₂-TPR等对其进行表征,并用于乙酸甲酯加氢制乙醇反应,考察共沉淀加料方式对催化剂结构及其催化性能的影响。结果表明,共沉淀时采用的加料方式显著影响制备的Cu/MnO/Al₂O₃催化剂的织构性质、CuO晶粒大小、还原性能和化学组成,这些因素共同作用决定了催化剂在乙酸甲酯加氢反应中的催化性能。其中,反加法制得的催化剂Cu和Mn组分含量相对比值接近理论值,且具有较高的比表面积和较佳的还原性能,因而表现出最佳的催化性能,在反应温度200 ℃、压力6.5 MPa、空速0.6 h^-1和氢酯物质的量比50条件下,乙酸甲酯转化率和乙醇选择性分别达98.9%和98.1%。