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.     

基于MF-R和AWS密钥管理机制的物联网健康监测大数据分析系统

带有传感器的可穿戴式医疗设备不断生成大量数据，由于数据的复杂性，难以通过处理和分析大数据来找到有价值的决策信息。为了解决这个问题，提出了一种新的物联网体系结构，用于存储和处理医疗应用的可扩展传感器数据（大数据）。所提出的架构主要由两个子架构组成：Meta Fog重定向（MF-R）架构和AWS密钥管理机制。MF-R架构使用Apache Pig和Apache HBase等大数据技术来收集和存储不同传感器设备生成的传感器数据，并利用卡尔曼滤波消除噪声。AWS密钥管理机制使用密钥管理方案，目的是保护云中的数据，防止未经授权的访问。当数据存储在云中时，所提出的系统能够使用随机梯度下降算法和逻辑回归来开发心脏病的预测模型。仿真实验表明，和其他几种算法相比，提出的算法具有更小的误差，且在吞吐量、准确度等方面具有一定的优越性。     

A design of experiments investigation into dry separation using a Knelson Concentrator

Enhanced gravity, or centrifugal, separators have revolutionised gold processing over the past decades, significantly increasing the recovery of fine (−100 μm) free gold. One of the main drawbacks of centrifugal gravity concentrators is the large volume of water required (even if it is all recycled). With water becoming an ever increasingly important “commodity”, reducing this is of importance both from an environmental and a monetary point of view. This work investigated operating a laboratory scale Knelson Concentrator with a dry feed and using air as the fluidising medium. The feed used was a synthetic mixture of tungsten and quartz, used to mimic a gold ore. The response surface method and central composite design techniques were used to design the experiments and to model the results, with the experimental variables being the bowl speed (G-Level), air fluidising pressure and the feed rate. The models corresponded well to the experimental results, indicating that for this experimental setup, the optimal conditions were a bowl G-Level of 40 G, a feed rate of 220 g/min and an air fluidising pressure of 8 psi.     

Improved method for roadside barrier length of need modeling using real-world trajectories

The 2011 AASHTO Roadside Design Guide (RDG) contains perhaps the most widely used procedure for choosing an appropriate length of need (LON) for roadside barriers. However, this procedure has several limitations. The procedure uses a highly simplified model of vehicle departure, and the procedure does not allow designers to specify an explicit level of protection. A new procedure for choosing LON that addresses these limitations is presented in this paper. This new procedure is based on recent, real-world road departure trajectories and uses this departure data in a more realistic way. The new procedure also allows LON to be specified for a precisely known level of protection – a level which can be based on number of crashes, injury outcomes or even estimated crash cost – while still remaining straightforward and quick to use like the 2011 RDG procedure.     

Development and monitoring of an integrated bioprocess for production of a potential malaria vaccine with Pichia pastoris

An engineered variant of the yeast Pichia pastoris was used to produce the potential malaria vaccine D1M1. This paper describes the implementation of an expanded bed adsorption chromatography step into a sequential cultivation process of the yeast in order to link protein expression, cell release, and product capture of the secreted protein in a fully automated plant. The process is operated with a semi-continuous strategy for an integrated production. Process improvements have been achieved using design of experiments. Resulting purities of product achieved up to 87% with recoveries of 51% in a single downstream operation. Furthermore, a multivariate analysis of historical batch data was used to develop a golden batch model for process monitoring.     

嵌入式盲文单手输入系统设计与实现

计算机录入编辑盲文是信息处理的特殊应用领域，是特殊教育中的重要研究课题。文中将盲文制作为特殊符号，通过制作字库，编写个性化码表，然后嵌入到主流输入法，从而实现盲文与汉字混排以及实现单手盲文输入。该系统具有易学易记性、盲文编码多样性、嵌入性强等优点，并通过实验证明输入盲文效率能提高5~6倍，在盲文出版、盲文印刷、盲文教学等领域有重要的应用价值。但盲文字符在不同平台(如智能手机)与不同操作系统兼容性问题还有待进一步研究开发。     

基于云概率密度分布估计的大坝监测数据分析

大坝运行监测易受自然环境和监测条件影响，存在时间和空间上的变异性，监测数据具有不确定性。以云理论的随机性和不确定性分析方法为基础，并与空间数据辐射思想相结合，建立了云滴概率密度分布估计模型，然后导出云概率密度分布函数，依据样本监测数据推求母体空间数据的分布特征，并设计了基于逆向云算法云变换的计算程序。分析陆浑水库1979~1999年测压管监测数据和位移变形数据的云概率密度分布特征和云数字特征，得出了20 a来大坝的数据分布特征和运行状态。监测数据分析结果表明，云概率密度分布估计不仅能有效合理地分析大坝的运行状态，而且能够依据云数字特征来判断监测状态和监测环境的异常变化。      

Role of Co in formation of Ni-Ti clusters in maraging stainless steel

The effect of Co addition on the formation of Ni-Ti clusters in maraging stainless steel was studied by three dimensional atom probe (3DAP) and first-principles calculation. The cluster analysis based on the maximum separation approach showed an increase in size but a decrease in density of Ni-Ti clusters with increasing the Co content. The first-principles calculation indicated weaker Co-Ni (Co-Ti) interactions than Co-Ti (Fe-Ti) interactions, which should be the essential reason for the change of distribution characteristics of Ni-Ti clusters in bcc Fe caused by Co addition.     

Effect of microstructure on the fatigue crack growth behaviour of a near-α Ti alloy

Fatigue crack growth behaviour of Ti–6Al–2Zr–1.5Mo–1.5V (VT-20 a near-α Ti alloy) was studied in lamellar, bimodal and acicular microstructural conditions. Fatigue crack growth tests at both increasing and decreasing stress intensity factor range values were performed at ambient temperature and a loading ratio of 0.3 using compact tension samples. Lamellar and acicular microstructures showed lower fatigue crack growth rates as compared to the bimodal microstructure due to the tortuous nature of cracks in the former and the cleavage of primary α in the latter. The threshold stress intensity factor range was highest for acicular microstructure.     

卤水井测试工艺研究

卤水井测试的最大技术难题是井筒结晶堵塞问题。为解决这个问题,以四川邛崃平落坝构造高浓度卤水井测试为例,从卤水组分、温度、流速及管材等方面,分析卤水井开采测试中结晶产生的影响因素;从卤水的化学性质出发,探讨工具防腐技术;结合现场应用效果,进一步优化管柱结构。