Zr70Cu30非晶合金退火时结构弛豫过程的压力效应

 本文研究了Zr₇₀Cu₃₀非晶合金在压力下低于玻璃化温度退火时，表征结构中几何短程有序化过程的超导转变温度（T_c）的弛豫行为。结果表明，结构弛豫使T_c下降。压力退火则阻碍T_c的热弛豫下降趋势，但过程的动力学仍保持和常压弛豫相似的对数特征。作者应用压力促使非晶结构中局域张应力减小的观点来解释上述现象。     

CuZnAl记忆合金有序转变的固体电子论分析

应用固体经验电子理论,并联系 G.Inden 的有序转变温度与原子间作用能的关系式,计算了 CuZnAl 记忆合金的 A_2到 B_2,B_2到 DO_3两种有序转变温度随合金元素变化的规律。计算得出的变化趋势与实验结果符合得相当好,表明所采用的理论模型可以说明 CuZnAl 合金的记忆性能和用来指导探索新的记忆合金。     

A density functional theoretic study of novel silicon-carbon fullerene-like nanostructures: Si40C20, Si60C20, Si36C24, and Si60C24

Fullerene-like silicon nanostructures with twenty and twenty-four carbon atoms on the surface of the Si₆₀ cage by substitution, as well as inside the cage at various orientations have been studied within the generalized gradient approximation to density functional theory. Full geometry optimizations have been performed without any symmetry constraints using the Gaussian 03 suite of programs and the LANL2DZ basis set. Thus, for the silicon atom, the Hay-Wadt pseudopotential with the associated basis set is used for the core electrons and the valence electrons, respectively. For the carbon atom, the Dunning/Huzinaga double zeta basis set is employed. Electronic and geometric properties of these nanostructures are presented and discussed in detail. Optimized silicon-carbon fullerene like nanostructures are found to have increased stability compared to the bare Si₆₀ cage and the stability depends on the number and the orientation of carbon atoms, as well as on the nature of silicon-carbon and carbon-carbon bonding.     

Research on the Raman properties of NiFe/cicada wing composite SERS platform modified by silver nanoparticles

Composite structures have been widely concerned in the preparation of surface enhanced Raman scattering (SERS) substrates. In this paper, by solving the problem that the magnetic material was difficult to glow in magnetron sputtering, ferro-nickel (NiFe) alloy was deposited on the cicada wing (CW) and the NiFe/CW substrate was obtained. The results of sliver nanoparticles (Ag NPs) modified on the substrate were subsequently compared, and the SERS properties of the new Ag/NiFe/CW substrate were analyzed. Obviously, the intensity of SERS signals has been greatly improved after the modification of Ag NPs, and the substrate exhibits excellent reproducibility. The Ag NPs modified substrates were also applied to the detection of toxic crystal violet (CV) solution, which showed remarkable SERS activity. It has been proved that the strategy of modifying Ag NPs on the substrate to form a composite structure has great potential for improving the SERS performance of the substrate.     

Iron Oxychloride/Bovine Serum Albumin Nanosheets as Chemodynamic Therapy Agents

Iron oxychloride (FeOCl) is known for reactive oxygen species (ROS) generation through Fenton chemistry. The activity of FeOCl is preserved in the slightly acidic pH value of the tumor microenvironment (pH 6.5−6.9). Such property can be advantageous in biobased systems, where ROS generation can be modulated in slightly acidic conditions, which is characteristic of the solid tumor microenvironment. In the present study, BSA-stabilized FeOCl nanosheets (NSs) are synthesized and characterized by transmission electron microscope, Fourier transform infrared spectroscopy, zeta potential analysis, dynamic light scattering, and UV–vis spectroscopy. The morphology of the nanoparticles is flake-like, and their hydrodynamic diameter is around 200 nm. MTT, apoptosis assay, and trypan blue staining evaluate the toxicity of FeOCl NSs toward the 4T1 cell line. It is found that the toxicity of the NSs is higher in physiological conditions of solid tumors (pH 6.5, H₂O₂ 100 × 10⁻⁶ m ) than in the conditions of healthy organs (pH 7.4). Specifically, cancer cells are in their late apoptotic stage by more than eight times higher at pH 6.5 than pH 7.4. The toxicity results are in agreement with the in vitro catalytic assay of the NSs. Therefore, the FeOCl NSs can be the building blocks for constructing chemodynamic therapy agents.     

MgCu4Sn型稀土镁合金相力学和热力学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,系统研究了典型立方结构合金相LaMgX4(X=Co, Ni, Cu)的力学特性和热力学特性。根据广义胡可定律计算了合金相的单晶弹性常数;根据单晶弹性常数和Hershey’s averaging方法计算了合金相的多晶弹性模量、泊松比、Zener各向异性因子和德拜温度。采用基于准谐近似的Gibbs2代码计算了LaMgX4(X=Co, Ni, Cu)合金相的吉布斯自由能、熵和等体热容与温度的关系。LaMgNi4的计算结果与其他文献计算结果及实验结果符合的很好。结果表明：LaMgX4 (X= Co, Ni, Cu)合金均为延展性、塑性和弹性各向异性材料。德拜温度按以下顺序递减：LaMgNi4>LaMgCu4>LaMgCo4。     

High Entropy Alloys as Filler Metals for Joining

In the search for applications for alloys developed under the philosophy of the High Entropy Alloy (HEA)-type materials, the focus may be placed on applications where current alloys also use multiple components, albeit at lower levels than those found in HEAs. One such area, where alloys with complex compositions are already found, is in filler metals used for joining. In soldering (<450 °C) and brazing (>450 °C), filler metal alloys are taken above their liquidus temperature and used to form a metallic bond between two components, which remain both unmelted and largely unchanged throughout the process. These joining methods are widely used in applications from electronics to aerospace and energy, and filler metals are highly diverse, to allow compatibility with a broad range of base materials (including the capability to join ceramics to metals) and a large range of processing temperatures. Here, we review recent developments in filler metals relevant to High Entropy materials, and argue that such alloys merit further exploration to help overcome a number of current challenges that need to be solved for filler metal-based joining methods.     

A rational design of bimetallic PdAu nanoflowers as efficient catalysts for methanol oxidation reaction

Methanol fuel cells have been intensively developed as clean and high-efficiency energy conversion system due to their high efficiency and low emission of pollutants. Here, we developed a simple aqueous synthetic method to prepare bimetallic Pd Au nanoflowers catalysts for methanol oxidation reaction(MOR) in alkaline environment. Their composition can be directly tuned by changing the ratio between Pd and Au precursors. Compared with commercial Pd/C catalyst, all of the Pd Au nanoflowers catalysts show the enhanced catalytic activity and durability. In particular, the Pd Au nanoflowers specific activity reached 0.72 m A/cm2, which is 14 times that of commercial Pd/C catalyst. The superior MOR activity could be attributed to the unique porous structure and the shift of the d-band center of Pd.