复合固体推进剂中固体填料的安息角测试与仿真

复合固体推进剂含有固体颗粒较多，离散单元法是一种适合固体推进剂生产过程数值仿真的有效方法，颗粒物料的接触参数是保证离散单元法仿真精度的关键。本文以复合固体推进剂的主要组分铝粉和高氯酸铵固体颗粒为研究对象，通过实验测试获得了相关物料的安息角，利用专业离散元软件EDEM仿真模拟了安息角测试实验过程，建立了物料安息角与接触参数之间的联系。研究表明，滚动摩擦系数和滑动摩擦系数越大，安息角越大，物料流动性越差。对比仿真与实验结果，通过逆向反推法确定了物料的滑动摩擦系数和滚动摩擦系数两个关键接触参数。铝粉与高氯酸铵1∶2混合颗粒的滑动摩擦系数为0.2，滚动摩擦系数为0.05。为固体推进剂加工生产过程离散元数值仿真提供了关键基础数据。     

Grain refinement and superplasticity of pipes processed by high-pressure sliding

ABSTRACT

The high-pressure sliding (HPS) process was applied for grain refinement of a pipe form of an Al-3wt%Mg-0.2wt%Sc alloy by developing two types of straining techniques (called in this study anvil sliding and mandrel sliding). To achieve a homogeneous microstructure throughout the cross-section of the pipe, the sample is rotated around the longitudinal axis every after sliding operation by introducing multi-pass technique, named multi-pass HPS (MP-HPS) as developed earlier for rods. The MP-HPS-processed sample shows ultrafine-grained structures with an average grain size of ～260 and ～300?nm after the HPS processing using anvil sliding and mandrel sliding. The samples also exhibit superplasticity with total elongations well more than 400%, respectively. A finite-element method is used to simulate the evolution of strain in the HPS processing and demonstrates that the simulation well represents the experimental results.     

Corrosion of pure and milled Mg17Al12 in “model” seawater solution

The corrosion behavior of pure Mg₁₇Al₁₂ and the effect of ball milling in presence of additives (i.e. graphite (G) and magnesium chloride (MgCl₂)) are evaluated in 3.5 wt% NaCl aqueous solution using electrochemical polarization and impedance measurements. Pure Mg₁₇Al₁₂ and milled Mg₁₇Al₁₂ without additives and with MgCl₂ present an open current potential (OCP) of −1.2 V/SCE while Mg₁₇Al₁₂ + G shows a slightly higher OCP (+10% maximum). Mg₁₇Al₁₂ corrodes with low kinetics and an increase of corrosion rate for the milled Mg₁₇Al₁₂ is observed. The corrosion current densities (J_corr) derived from the Tafel plots, exhibit their corrosion reactivity as follow: Mg₁₇Al₁₂ < Mg₁₇Al₁₂ 5h < Mg₁₇Al₁₂ + G 5h < Mg₁₇Al₁₂ + MgCl₂ 5h. Electrochemical impedance spectroscopy (EIS) results are in good agreement with the measured J_corr. Randles circuit models are established for all samples to explain their surface behavior in the aqueous NaCl solution. The variation of the fitted parameters is attributed either to the effect of ball milling or to the effect of the additive. Our results are helpful in elucidating the effect of ball milling and the additives.     

几种多态含能材料构型转变的DFT研究

为了从分子层面上对含能材料不同分子构型间的转变情况有一个直观认识,借助Gaussian 09软件,运用密度泛函理论(DFT),采用TS算法搜寻β-RDX→α-RDX、γ-HMX→β-HMX、ε-CL-20→β-CL-20及β-FOX-7→α-FOX-7在分子构型转变过程中的过渡态结构,确定了它们的构型转变过程;并通过计算吉布斯自由能随构型转变路径的变化,比较多态含能材料分子构型转变的难易程度。结果表明,由亚稳晶型到稳定晶型的转变首先会越过过渡态,克服自由能能垒转变为亚稳态结构,实现β-RDX→α-RDX、γ-HMX→β-HMX、ε-CL-20→β-CL-20及β-FOX-7→α-FOX-7分子构型转变分别需要克服的自由能能垒分别为5.25、22.21、9.69和10.24kJ/mol。因此,常温常压下β-RDX→α-RDX、γ-HMX→β-HMX、ε-CL-20→β-CL-20及β-FOX-7→α-FOX-7构型转变的难度大小排序为:HMX>>FOX-7>CL-20>RDX。     

New observations on wear characteristics of solid Al2O3/Si3N4 ceramic tool in high speed milling of additive manufactured Ti6Al4V

Additive Manufacturing (AM) technologies applied to the titanium alloys have attracted attention from industries in recent years. Despite one of the main goals of AM is the reduction of manufacturing steps, semi-finish/finish machining operations are still required so as to obtain the desired geometrical tolerance and surface features. In this study, the solid end mill was manufactured by Al₂O₃/Si₃N₄ (Sialon) ceramic materials and employed in high-speed slot milling of Ti6Al4V alloy fabricated by the Direct Metal Laser Sintering (DMLS) AM technology to study the tool wear characteristics during processing. The Raman spectroscopic method was employed to characterize the molecular structures of Sialon ceramics for the manufacturing of the cutting tool. The morphologies and elemental maps of wear region of the ceramic tool were examined by scanning electron microscope and energy dispersive spectroscopy techniques. The results show that the adhesion wear and diffusion wear are the dominant wear mechanisms, and the chemical stability of Al₂O₃/Si₃N₄ (Sialon) ceramics fabricated as the solid ceramic tool to the attack of the atoms from additive manufactured Ti6Al4V is relatively weak under the atmosphere. The difference of thermal expansion coefficients of diffusion layer and tool substrate accelerates the initiation and propagation of thermal cracks formed on the diffusion interface. Moreover, fracturing and crater-like groves near the tool edge were finally formed due to the removal of adhered workpiece material.     

Effect of ZrO2 nanoparticles addition to PEO coatings on Ti–6Al–4V substrate: Microstructural analysis,corrosion behavior and antibacterial effect of coatings in Hank's physiological solution

In this study, plasma electrolyte oxidation (PEO) method was employed to modify the surface of Ti–6Al–4V. Effects of different concentrations of ZrO₂ nanoparticles (0, 1, 3 and 5 g/l) into a phosphate-based electrolyte on the morphology, wettability, antibacterial and corrosion behaviors of coatings were investigated. Microstructural analyses of coatings were evaluated using scanning electron microscopy with an energy dispersive spectrometer. Also, X-ray diffraction, contact angle instrument and profilometry were respectively used to perform phase analysis, wettability, and surface roughness of the coatings. The antibacterial test was conducted with spot inoculation method on four pathogenic bacteria. Polarization and impedance spectroscopy measurements were performed in Hank's solution to investigate the corrosion behavior of coatings. The results revealed that PEO coatings without nanoparticles and by increasing the concentration of the ZrO₂ nanoparticles up to 3 g/l in the electrolyte led to a significant improvement in the antibacterial activities of gram-negative bacteria (P. aeruginosa and E. Coli). In the case of gram-positive bacteria, the PEO coated samples demonstrated improved antibacterial effects but addition of ZrO₂ nanoparticles in the PEO coatings resulted in deterioration of antibacterial effect. The sample coated with 3 g/l ZrO₂ nanoparticles showed the peak corrosion resistance compared to its counterparts.     

Unraveling the effect of alumina-supported Y- doped ceria composition and method of preparation on the WGS activity of gold catalysts

The demands for high-purity hydrogen required in fuel-cell applications impose new goals and challenges for design of well performing water-gas shift (WGS) catalysts. Gold-based catalysts have exhibited high activity in the WGS reaction at low temperature. Preparation of appropriate and economically viable supports with complex composition by various synthesis procedures is an attractive approach to WGS performance improvement. The effect of two different preparation methods (wet impregnation or mechanical mixing) and ceria content (10, 20 or 30 wt%) on textural, structural, surface and reductive properties and WGS activity of gold catalysts was studied. Additionally, the role of Y₂O₃ as a promoter of ceria was examined. Long-term stability test was carried out at 260 °C over the most active catalyst. The composition of the best performing sample (composed of about 70 wt% alumina), prepared by mechanical mixing, was considered promising in case of practical applications because of its cost efficiency. The combination of gold nanoparticles and alumina supported Y-doped ceria proved an advantageous approach for developing new catalytic formulations with high effectiveness in clean hydrogen production.     

Mechanical behavior of electrochemically hydrogenated electron beam melting (EBM) and wrought Ti–6Al–4V using small punch test

The influence of electrochemical charging of hydrogen at j = ?5 mA/cm² for 6, 12, 48 and 96 h on the structural and the mechanical behavior of wrought and electron beam melting (EBM) Ti–6Al–4V alloys containing 6 wt% β and similar impurities level was investigated. The length of the α/β interphase boundaries in the EBM alloy was larger by 34% compared to that in the wrought alloy. The small punch test (SPT) technique was used to characterize the mechanical behavior of the non-hydrogenated and hydrogenated specimens. It was found that the maximum load and the displacement at maximum load of the wrought alloy remained nearly stable after 6 h of charging, showing a maximum decrease of ～32% and 11%, respectively. Similarly, hydrogenation of the EBM alloy resulted in a gradual degradation in mechanical properties with charging time, up to ～81% and 86% in pop-in load and displacement at the “pop-in” load, respectively. The mode of fracture of the wrought alloy changed from ductile to semi-brittle with mud-cracking in all hydrogenated specimens. In contrast, the mode of fracture of the EBM alloy changed from a mixed mode ductile-brittle fracture to brittle fracture with star-like morphology. The degraded mechanical properties of the EBM alloy are attributed to its α/β lamellar microstructure which acted as a short-circuit path and enhanced hydrogen diffusion into the bulk as well as δ_a and δ_b hydride formation on the surface. In contrast, a surface layer with higher concentration of δ_a and δ_b hydrides in the wrought alloy served as a barrier to hydrogen uptake into the bulk and increased the alloy resistivity to hydrogen embrittlement (HE). This study shows that EBM Ti–6Al–4V alloy is more susceptible to mechanical degradation due to HE than wrought Ti–6Al–4V alloy.