Fabrication of high-purity HfSi2 powder via molten salt-assisted magnesium thermal reduction

In this work, high-purity HfSi₂ powders were successfully fabricated via a molten salt-assisted magnesium thermal reduction method using HfO₂ and Si as raw materials. The effects of reaction temperature and time on the formation of HfSi₂ were systemically investigated. The morphological and phase composition of as-prepared HfSi₂ powders were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, and nitrogen/oxygen determinator. The results indicated that as-obtained HfSi₂ powders possess the orthorhombic structure with approximately 6.4 μm in size and the oxygen content as low as 0.20%. This work can provide a novel route to fabricate the high-purity transition metal silicides powders.     

Predictive association of metal–organic systems in the solid-state: the molecular electrostatic potential based approach

Designing crystalline solids with improved properties or performances remains a challenging task, despite great strides that have been made within the field of crystal engineering since its birth several decades ago. Herein, we are bringing examples that illustrate recent successes in taking supramolecular synthetic guidelines from the organic crystal engineering and adjusting those to metal-containing systems, particularly to the lower-dimensional ones. The versatility of calculated molecular electrostatic potential (MEP) as a new crystal engineering tool is demonstrated.     

Theoretical and experimental studies of a new aniline derivative corrosion inhibitor for mild steel in acid medium

4-Chloro-N-(pyridin-2-ylmethyl)aniline (CPYA) was synthesized by a simple and inexpensive method and tested as a corrosion inhibitor in acid medium for mild steel by using gravimetric studies and electrochemical measurements. An average maximum efficiency of 96.0% was achieved at 4.59 mmol/L. Corrosion kinetic and thermodynamic parameters were also analyzed. Surface analyses (atomic force microscopy and scanning electron microscopy) show that protection is enabled by adsorption on the metal, forming a film. Quantum chemical calculations were performed to access information regarding the molecular structure in the corrosive medium and to support interpretation of the results obtained by experimental methods.     

Application of the sampling moiré method to shallow open-channel flows with circular roughness elements

This research presents an application of the sampling moiré method, a novel technique originally developed for measuring slight deformation of a static object such as a plate, to fluctuating free water surface in rough open channel flows. The method was used to capture the two-dimensional water surface deformation at a high sampling rate by dyeing the color of water white. The target flow was a very shallow subcritical flow with a depth of 1.5 times the height of the roughness. As a result, a series of instantaneous water surface profiles with non-uniform rough planes were successfully measured at a sampling rate of 100 Hz.It has become clear that the effect of dispersive gravity waves traveling on the water surface is greater than that of non-dispersive waves driven by the turbulence, and that this feature becomes more pronounced as the Froude number increases in such shallow flow conditions. Furthermore, it was experimentally and theoretically verified that the intensity of water surface fluctuation increases with the square of the Froude number. The decomposition of surface fluctuations due to gravity waves and subsurface turbulence using the wavenumber frequency spectrum revealed that the effects of subsurface turbulence are about 20%. This is much less than the contribution from gravity waves in very shallow flows as in this experiment.     

Morphological and optical properties of PdxAg1-x alloy nanoparticles

Alloy nanoparticles (NPs) can offer a wide range of opportunities for various applications due to their composition and structure dependent properties such as multifunctionality, electronic heterogeneity, site-specific response, and multiple plasmon resonance bands. In this work, the fabrication of self-assembled Pd_xAg_1-x NPs alloy nanostructures with distinct size, density, shape, and composition is demonstrated via the solid-state dewetting of sputtered Pd/Ag thin films on c-plane sapphire. The initial stage of bilayer dewetting exhibits the nucleation of voids, followed by the expansion of voids and cluster breakdown and finally shape transformation along with the temperature control. Bilayer composition shows a substantial influence on the dewetting such that the overall dewetting is enhanced along with the increased Ag composition, i.e. Pd_0.25Ag_0.75 > Pd_0.5Ag_0.5 > Pd_0.75Ag_0.25. On the other hand, the size and density of NPs can be efficiently controlled by varying the initial thickness of bilayers. Reflectance peaks in UV and near-infrared (NIR) regions and a wide absorption band in the visible region arisen from the surface plasmon resonance are observed in reflectance spectra. The peak intensity depends on the composition of Pd_xAg_1-x NPs and the NIR peaks gradually blue-shift with the size decrement.     

Nonlinear performance evaluation model for throughput of AQM scheme using full factorial design approach

The performance of active queue management (AQM) is measured in terms of throughput, delay, queue size, and loss rate. We have carried out the optimized performance measure of throughput for AQM scheme random early detection (RED) using full factorial design (FDD) technique that is a new approach of performance analysis particularly for congestion control algorithms. We have considered the input factors, viz, buffer size, maximum threshold, and the number of file transfer protocol (FTP) sources for the evaluation of RED that can be used for other AQM schemes, viz, adaptive RED, three‐section RED (TRED), and adaptive queue management with random dropping (AQMRD). The effect of each input factor as well as their interactions are evaluated using factorial design technique that results to obtain the nonlinear equation for performance measure in terms of input factors buffer size, maximum threshold, and the number of FTP sources. Finally, we show the contour plots for variation of performance measure throughput (steady state) from minimum to maximum values with respect to the different setting of input parameters.     

基于等切共轭的弧齿锥齿轮差曲面建立与解析

对弧齿锥齿轮提出了一种新的共轭求解方法，来更方便地求解共轭小轮的齿面方程，在此基础上进行了齿面接触分析。在分析过程中提出了一种新的ease-off差曲面计算方法，即用对应点的转角误差替代直线误差进行差曲面求解，使得传动误差解析、齿面修形量的确定更为直观和准确。提取了ease-off曲面上的差曲线，以方便地确定出接触路径和边缘接触点。根据全程差曲线得到了齿面接触印痕分布情况。     

相场法模拟GaAs衬底上InGaAs异质结表面形貌

本工作采用相场法模拟GaAs衬底上生长的In_(0.3)Ga_(0.7)As多层异质结构薄膜表面。通过引入多序参量,使用半隐性傅里叶谱方法求解Cahn-Hilliard方程可以求得带缓冲层结构的薄膜表面形貌。计算结果模拟了薄膜生长过程,研究显示,使用In0.15-Ga0.85As缓冲层,厚度从1nm增加到4nm,薄膜表面临界波长从34nm提升到80nm。随着缓冲层的厚度从1nm增加到10nm,使用正弦波表面的模拟结果显示,薄膜表面粗糙度从2.87nm下降到0.43nm,随机叠加波表面的模拟结果也类似,表面粗糙度从1.21nm下降到0.18nm。热力学分析和应变分布分析可以解释缓冲层对薄膜表面形貌演化的作用。该模拟计算方式对设计缓冲层结构有很大的帮助,模拟计算的结果可以与实验相比对。     

某铅锌矿的三维地质模型及储量估算

针对矿山现有的地质信息数据等，建立了以利用Surpac软件的三维地表模型、矿体模型及地质数据库，对矿山资源储量进行计算。基于地质统计学的理论，建立某铅锌矿地表模型、钻孔数据库、矿体模型、块体模型，对矿体内样品进行组合分析统计，采用幂次距离反比法对块体品位进行估值，最后根据国内对地质矿产资源的分类方法，按照不同边界品位、工业品位等分类依据，得出资源储量核实报告，为铅锌矿的后续生产，提供了可靠保证。结果表明：通过构建该矿地质数据库，建立的三维模型，可对地质工程、采矿工程、储量估算、矿石品位动态管理等提供技术支持。     

采动影响区抽采钻井井身固化及抽采效果考察

为提高地面瓦斯抽采效果,对抽采期间钻井进行了窥视,发现当回采工作面推过地面钻井位置后,钻井井壁迅速破坏,无法充分发挥其应有的瓦斯抽采效应。通过对煤层顶板岩层受采动影响顶板活动过程的分析,优化地面抽采钻井井身结构,在原有的施工工艺上增加三开下筛管,增强钻孔的防护强度,抽采浓度提高了1.54.5倍,抽采纯量提高了1.55倍,工作面回风流和回风隅角瓦斯浓度显著下降,抽采效果明显提高。