Carbon corrosion mechanism on nitrogen-doped carbon support — A density functional theory study

In this work, density functional theory (DFT) calculations were used to investigate the mechanism of carbon corrosion on nitrogen-doped carbon support. Free energy diagrams were generated based on three proposed reaction pathways to evaluate corrosion mechanisms. The most energetically preferred mechanism on nitrogen-doped carbon was determined. The results show that the step of water dissociation to form ^#OH was the rate-determining step for gra-G-1N (graphene doped with graphitic N) and pyrr-G-1N (graphene doped with pyrrolic N). As for graphene doped with pyridinic N, the step of C^#OC^#O formation was critical. It was found that the control of nitrogen concentration was necessary for precisely designing optimized carbon materials. Abundance of nitrogen moieties aggravated the carbon corrosion. When the high potential was applied, specific types of graphitic N and pyridinic N were found to be favorable carbon modifications to improve carbon corrosion resistance. Moreover, the solvent effect was also investigated. The results provide theoretical insights and design guidelines to improve corrosion resistance in carbon support through material modification by inhibiting the adsorption of surface oxides (OH, O, and OOH).     

基于双目标优化遗传算法和支持向量机的旋转机械退化状态识别

退化特征提取是机械健康状态监测的重要组成部分,伴随旋转机械长时间连续运转,退化特征出现性能波动甚至下降,给退化特征提取和选择造成了困难.首先利用一个特征映射算法库对振动信号提取特征,并基于Kolnogorov-Smirnov (KS)检验和Benjamini-Yekutieli过程对原始特征集进行过滤,然后利用双目标优化遗传算法(Bi-objective Optimization Genetic Algorithm,BOGA)结合支持向量机分类器(Support Vector Classifier,SVC),在有监督的环境下搜索出最佳特征子集,其中BOGA设置了SVC分类精确度和特征子集维数两个目标函数,前者进行最大化,后者进行最小化.通过在液压泵退化状态数据集上进行实验和在凯斯西楚大学轴承数据集与FRESH_PCAa、ReliefF、JMIM三种方法进行对比,验证了该方法在退化状态识别上的较好性能.     

Low complexity quantum private queries protocol

Private information retrieval(PIR) is an important privacy protection issue of secure multi-party computation, but the PIR protocols based on classical cryptography are vulnerable because of new technologies,such as quantum computing and cloud computing. The quantum private queries(QPQ) protocols available, however, has a high complexity and is inefficient in the face of large database. This paper, based on the QKD technology which is mature now, proposes a novel QPQ protocol utilizing the key dilution and auxiliary parameter. Only N quits are required to be sent in the quantum channel to generate the raw key, then the straight k bits in the raw key are added bitwise to dilute the raw key, and a final key is consequently obtained to encrypt the database. By flexible adjusting of auxiliary parameters θ and k, privacy is secured and the query success ratio is improved. Feasibility and performance analyses indicate that the protocol has a high success ratio in first-trial query and is easy to implement, and that the communication complexity of O(N) is achieved.     

基于二元水循环的水量-水质-水效联合调控模型开发与应用

为将我国最严格水资源管理制度的实践与二元水循环理论相结合，提高“三条红线”控制指标的科学性与合理性，本文以SWAT模型为基础，通过改进子流域划分方法、添加经济社会模块和人工用水模块，对其人工侧支循环模拟进行了系统的完善，开发了基于SWAT的水量-水质-水效联合调控模型SWAT_WAQER。以广西南流江流域为例，从国民经济用水量、河道径流与水质等方面对模型进行校验，并在此基础上划分了2030年“三条红线”控制指标。结果表明：该模型性能良好，能够用于不同节水情景下的国民经济用水量、污染物排放量、水功能区水质达标结果分析，可以作为科学制定“三条红线”控制指标的有力支撑工具。     

一种实用的多数据库量子信息检索协议

针对目前量子私有信息检索不能适用与云存储的多数据库问题,基于现在成熟的量子密钥分发方法,提出了一种适合在多数据库环境下,实用的量子私有信息检索协议。对于不同大小的数据库,协议可通过调节参数θ和k,在保证数据库安全及用户隐私的情况下,完成信息的检索。性能分析结果表明,协议的通信复杂度低,检索成功率高、易于实施。     

Theoretical Prediction of Chiral 3D Hybrid Organic–Inorganic Perovskites

Hybrid organic–inorganic perovskites (HOIPs), in particular 3D HOIPs, have demonstrated remarkable properties, including ultralong charge‐carrier diffusion lengths, high dielectric constants, low trap densities, tunable absorption and emission wavelengths, strong spin–orbit coupling, and large Rashba splitting. These superior properties have generated intensive research interest in HOIPs for high‐performance optoelectronics and spintronics. Here, 3D hybrid organic–inorganic perovskites that implant chirality through introducing the chiral methylammonium cation are demonstrated. Based on structural optimization, phonon spectra, formation energy, and ab initio molecular dynamics simulations, it is found that the chirality of the chiral cations can be successfully transferred to the framework of 3D HOIPs, and the resulting 3D chiral HOIPs are both kinetically and thermodynamically stable. Combining chirality with the impressive optical, electrical, and spintronic properties of 3D perovskites, 3D chiral perovskites is of great interest in the fields of piezoelectricity, pyroelectricity, ferroelectricity, topological quantum engineering, circularly polarized optoelectronics, and spintronics.     

电子行业用高纯钯的制备研究

高纯钯在电子行业等领域应用广泛，需求迫切。以氯化钯为原料，提出采用氯化铵沉淀-氨水配合联合工艺净化钯溶液，水合肼还原纯净钯溶液制备高纯钯。结果表明，固体氯化钯溶解后，在合适的条件下，该钯溶液经过氧化-氯化铵沉淀、氨水配合有效去除杂质元素，获得纯净二氯四氨合钯溶液，再经水合肼还原后，获得纯度99.999%高纯钯，其碳、氧、氮等杂质元素总含量小于355×10^-6。     

基于宏观经济结构合理化的宁夏水资源合理配置

本文分析了宁夏目前经济结构下水资源利用效率及产出效益，研究在一定经济发展水平下，当资源配置最优时，最优的经济均衡增长途径。区域最优经济结构是由国民经济各部门相互依存的关联关系技术矩阵所决定的，其均衡增长率和均衡增长产出结构分别等于非负矩阵的弗罗比尼斯特征根和相对应的弗罗比尼斯向量。本文根据联合国经济发展统计数据，分析出宁夏未来调整第一产业与第二产业结构的比例，认为应适当减少宁夏高耗水水稻种植面积，逐渐把农业用水量向工业用水量转移。转变经济增长方式，从水资源的高效利用及配置出发走内涵式、节水型的社会发展道路，以解决宁夏水资源严重不足的问题。