Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Covalent triazine framework with efficient photocatalytic activity in aqueous and solid media

Covalent triazine frameworks (CTFs) have been recently employed for visible light-driven photocatalysis due to their unique optical and electronic properties. However, the usually highly hydrophobic nature of CTFs, which originates from their overall aromatic backbone, leads to limitations of CTFs for applications in aqueous media. In this study, we aim to extend the range of the application media of CTFs and design hybrid material of a CTF and mesoporous silica (SBA-15) for efficient photocatalysis in aqueous medium. A thiophene-containing CTF was directly synthesized in mesopores of SBA-15. Due to the high surface area and the added hydrophilic properties by silica, the hybrid material demonstrated excellent adsorption of organic molecules in water. This leads not only to high photocatalytic performance of the hybrid material for the degradation of organic dyes in water, but also for efficient photocatalysis in solvent-free and solid state. Furthermore, the reusability, stability and easy recovery of the hybrid material offers promising metal-free heterogeneous photocatalyst for broader applications in different reaction media.     

面向流屑角突变建模的切削状态参数经验公式的获得及应用

从提高流屑角突变模型的预测精度出发,建立了切削状态参数与3个切削控制参数之间关系的新经验公式。提出了一种通过迭代法准确设定有限元仿真软件刀-屑摩擦因数的方法,并通过直角切削Al6061-T6工件的有限元仿真试验,获得了一组不同切削控制参数组合条件下的切削状态参数数据。根据该数据拟合出剪切角φ、刀-屑摩擦角β、剪切应力τs关于刀具前角γ0、进给量f和切削速度v的经验公式,并通过一组直角切削试验,验证了所得经验公式的有效性。将新建经验公式应用于流屑角突变建模过程后,所得模型关于突变临界切削宽度的平均预测误差减小了27.2%。     

Extending SSD Lifespan with Comprehensive Non-Volatile Memory-Based Write Buffers

Journal of Computer Science and Technology - New non-volatile memory (NVM) technologies are expected to replace main memory DRAM (dynamic random access memory) in the near future. NAND flash...     

基于状态观测器的电镀液温度状态反馈控制系统

针对电镀液温度控制系统,引入状态反馈控制。相对于传统的反馈控制,本方法可以获得更优异的性能。另外,考虑到镀液温度控制具有纯迟延的特点,提出了一种消去纯迟延的方法。仿真验证结果显示,控制效果良好。     

Calorimetric study of ytterbium orthovanadate YbVO4 polycrystalline ceramics

The heat capacity of ytterbium orthovanadate was first measured by adiabatic calorimetry in the temperature range T?=?12.28–344.06?K. No obvious anomalies were observed on the curve obtained. The values of standard thermodynamic functions in the temperature range T?=?0–400 K were calculated. Based on low-temperature calorimetry data obtained, previously published data on the high-temperature heat capacity of ytterbium orthovanadate were corrected. The anomalous contribution to heat capacity for YbVO₄ was compared with the data known for YbPO₄.     

The influence of activated carbon as an additive in anode materials for low temperature solid oxide fuel cells

The effects of activated carbon (AC) as an additive in multi-oxide nano composite LiNiCuZn–O for application as anode in solid oxide fuel cell (SOFC) is reported. The composite was synthesized using solid state reactions method with varying content of AC in range 0.1%–0.9% for use as anode in the cell. The cell was composed of the synthesized composite as anode, LiNiCuZn–O as cathode and Samaria doped ceria (SDC) as electrolyte. The prepared composites were characterized for morphology and crystal structure by scanning electron microscope (SEM) and x-ray diffraction (XRD) respectively. Furthermore, the crystallite sizes of LiNiCuZn–O and LiNiCuZn–O with AC as an additive have been found in the range from 50 nm to 70 nm. The prepared composite materials were observed porous and the porosity of the sample having 0.5% additive was found highest. The conductivity and power density of the SOFC were studied at temperature of 600 °C. The maximum value of conductivity was found as 4.79 S/cm for the composite containing 0.5% AC as measured by using 4-probe method. The maximum value of power density of the fuel cell with anode comprising of 0.5% AC along with the mentioned cathode and the electrolyte was 455 mW/cm². Therefore, out of the compositions studied, the composite comprising of LiNiCuZn–O with 0.5% AC offered best performance for anode in the cell. This oxide composite is reported as a potential candidate for use as anode in low temperature SOFCs.     

A mixed collector system for phosphate flotation

Flotation has been used in industry for more than a half century as the primary technique for upgrading phosphate. While the flotation of phosphate was inefficient when oleic acid was used alone as a collector, therefore a mixed collector of oleic acid (HOl), linoleic acid (LA) and linolenic acid (LNA) was employed to improve the recovery of phosphate flotation. The batch flotation results showed that the optimal composition of the mixed collector was 54 wt.% HOl, 36 wt.% LA and 10 wt.% LNA. Additionally, the effect of pH on the mixed collector application was studied while considering the surface tension, contact angle and micro-flotation. The results showed that the mixed collector should be used at a pH of 9.5. Above a pH of 9.5, the adsorption of fatty acids dimers on the apatite surface hindered phosphate flotation. The influence of the mixed collector assembly on apatite flotation was also investigated. It was demonstrated that due to its low critical micelle concentration, a sufficiently hydrophobic apatite surface could be generated at a collector concentration of 60 mg/L. In addition, zeta potential experiments suggested that collector adsorption was governed by chemisorption. FTIR and XPS spectra studies further indicated that the chemical reaction involved the carboxyl groups of fatty acids and Ca species at the apatite surface for each fatty acid in the mixed collector.     

Classification and regression models of audio and vibration signals for machine state monitoring in precision machining systems

We present a data-driven method for monitoring machine status in manufacturing processes. Audio and vibration data from precision machining are used for inference in two operating scenarios: (a) variable machine health states (anomaly detection); and (b) settings of machine operation (state estimation). Audio and vibration signals are first processed through Fast Fourier Transform and Principal Component Analysis to extract transformed and informative features. These features are then used in the training of classification and regression models for machine state monitoring. Specifically, three classifiers (K-nearest neighbors, convolutional neural networks and support vector machines) and two regressors (support vector regression and neural network regression) were explored, in terms of their accuracy in machine state prediction. It is shown that the audio and vibration signals are sufficiently rich in information about the machine that 100% state classification accuracy could be accomplished. Data fusion was also explored, showing overall superior accuracy of data-driven regression models.     

Solid state reactions between SiC and Ir

Reactivity between SiC and Ir as a function of SiC-crystallinity was investigated by diffusion bonding technique under a vacuum and over the temperature range of 1200–1450 °C. As reaction products, various Ir-silicides and free unreacted-C were detected. Reactivity is strongly affected by the temperature and SiC-crystallinity involving a series of interactions, from “no reaction” to “massive exothermic reactions”. In particular, interfacial phenomena are more pronounced by the presence of defects and grain boundaries.Solid state reactions result in formation of fine C-precipitates rearranged in a quasi-periodic microstructure. On the contrary, clustering of highly ordered C-precipitates (C-graphitized) occurs after “massive reactions” take place.A relationship between the degree of graphitization (from 1 to multi-layers of graphene), temperature and SiC crystallinity was found by Raman spectroscopy. 2D-layering phenomenon is enhanced in polycrystalline SiC at high temperature.