不同表面活性剂对CoSb_3纳米粉体的影响及其非晶化研究

分别选用不同的表面活性剂(SDBS、CTAB、EDTA、PVP),采用水热法成功制备CoSb_3纳米粉体.对制备的纳米粉体分别进行XRD和SEM表征,研究了不同表面活性剂对制备的CoSb_3纳米粉体的影响.结果表明不同表面活性剂对制备的CoSb_3纳米粉体形貌有显著的影响.并将水热法制备的CoSb_3纳米粉体,采用脉冲激光非晶化技术进行处理,结果表明纳米粉体实现了部分非晶化.通过样品的XRD分析研究了影响CoSb_3纳米粉体部分非晶化的条件,结果表明扫描重复次数的增加可以提高CoSb_3基方钴矿热电材料的非晶化能力,适当提高扫描速度有利于CoSb_3基方钴矿热电材料的非晶化.     

贵州山核桃ISSR-PCR反应体系建立及优化

为建立贵州山核桃ISSR-PCR最佳反应体系,采用单因素试验的方法,对影响ISSR-PCR反应体系的模板DNA浓度、MgCl2浓度、d NTPs浓度、Taq酶用量、引物浓度等各因素进行了研究,确立了贵州山核桃ISSR-PCR的最佳反应体系。结果显示:最优反应体系的模板DNA浓度为40ng/u L、引物浓度为0.3umol/L、Mg2+的浓度2.9mmol/L、酶浓度0.3U、d NTPs浓度0.2mmol/L,退火温度为54℃。建立该反应体系可为贵州山核桃ISSR标记开发、物种分类鉴定、遗传图谱构建等后续分析奠定基础。     

基于APAS的篮球技术链攻防时空特征研究

运用三维影像解析系统软件对持球顺步突破后跨步急停跳投这一技术链的攻守影像进行解析.研究结果表明,篮球技术链中每一项技术的运用都有其时间和空间适用性,如果运用得当,链内技术可以产生互为运用手段、互相创造时空条件的效果;经测试,高水平篮球运动员脚的简单反应时和动作反应时高度相关,但在持球队员运用该技术链向左侧突破时,技术链前端技术不能为末端的投篮技术创造时空优势.     

Synthesis of aluminum nitride in a coke-calcium reduction bed using nitrogen in air

An experimental study on the heating of a mixture of aluminum and lithium hydroxide (LiOH) powders in a reductive bed under air atmosphere is reported. The formation of aluminum nitride (AlN) during this process was the focus of this study. The formation of AlN was achieved using LiOH as an additive and heating the sample in a resistance furnace in a specially designed double crucible within a bed of a mixture of coke and filamentous calcium. The temperature range of the reaction was between 700°C and 1100°C. The optimum tem-perature of 1100°C and the optimum LiOH amount (5wt%) required to achieve maximum yield were determined by powder X-ray diffrac-tion (XRD) analysis. Scanning electron microscopy (SEM) micrographs clearly indicated the transformation of grain structures from rods (700°C) to cauliflower shapes (1100°C).     

Synergetic effect of multiple phases on hydrogen desorption kinetics and cycle durability in ball milled MgH2–PrF3–Al–Ni composite

A new MgH₂–PrF₃–Al–Ni composite was prepared by ball milling under hydrogen atmosphere. After initial dehydrogenation and rehydrogenation, Pr₃Al₁₁, MgF₂, PrH₃ and Mg₂NiH₄ nanoparticles formed accompanying the main phase MgH₂. The hydrogen absorption-desorption properties were measured by using a Sieverts-type apparatus. The results showed that the MgH₂–PrF₃–Al–Ni composite improved cycle stability and enhanced hydrogen desorption kinetics. The improvement of hydrogen absorption-desorption properties is ascribed to the synergetic effect of the in situ formed Pr₃Al₁₁, MgF₂, PrH₃ and Mg₂NiH₄ nanoparticles. This work provides an important inspiration for the improvement of hydrogen storage properties in Mg-based materials.     

单原子Co修饰TiO2(101)面的结构和析氢性能的第一性原理研究

通过基于密度泛函理论（DFT）+U的第一性原理方法研究了单原子Co在TiO₂（101）面的掺杂位置和方式、几何结构和整体能量以及掺杂后产物的制氢反应机制，得到了稳定且易出现的单原子修饰结构，即单原子Co吸附在4个O组成的表面空隙的中心位，记为Co/TiO₂（101）。进一步对Co/TiO₂（101）的析氢反应过程和性能进行研究，确定了当且仅当TiO₂（101）面完成表面羟基化反应后，H原子全覆盖的TiO₂（101）表面才能进行后续的析氢反应；此时单原子Co是唯一的反应位点，整体的制氢反应自由能ΔG_H*比Co（111）面更加趋近于0，显示出其具有远优于金属Co的催化性能。此外，Co和TiO₂间的电荷转移和相互作用使TiO₂带隙出现新的掺杂能级，可带来作为光催化基材的TiO₂光吸收性能的改善。     

粉末冶金法制备混杂增强铜基复合材料的增强体竞争析出行为研究

Copper matrix composites reinforced by in situ-formed hybrid titanium boride whiskers (TiB_w) and titanium diboride particles (TiB_2p) were fabricated by powder metallurgy. Microstructural observations showed competitive precipitation behavior between TiB_w and TiB_2p, where the relative contents of the two reinforcements varied with sintering temperature. Based on thermodynamic and kinetic assessments, the precipitation mechanisms of the hybrid reinforcements were discussed, and the formation of both TiB_w and TiB_2p from the local melting zone was thermodynamically favored. The precipitation kinetics were mainly controlled by a solid-state diffusion of B atoms. By forming a compact compound layer, in situ reactions were divided into two stages, where Zener growth and Dybkov growth prevailed, respectively. Accordingly, the competitive precipitation behavior was attributed to the transition of the growth model during the reaction process.     

双水作用Met过渡态电子激发特性的图解分析

采用密度泛函理论(DFT)中的B3LYP方法, 在6-311+G(2df)基组水平上优化气相条件下甲硫氨酸(Met)分子的几何构型, 分析Met+2H₂O分子体系手性转变过程中各基元反应物的特征, 并在M06-2X/def2-TZVP下, 用含时密度泛函理论(TDDFT)方法给出隐式溶剂甲醇下Met+2H₂O分子体系手性转变过程中某过渡态体系的分子轨道(MO)、 自然跃迁轨道(NTO)和空穴-电子分布等值面图, 研究图解电子激发特征. 结果表明： 在双水分子协助下, H原子迁移形成过渡态, 导致Met分子体系结构与反应物间发生显著变化, 使分子功能发生改变.     

损伤炸药的冲击起爆数值模拟

通过对炸药化学反应速率方程的分析,建立了基于KIM弹粘塑性球壳塌缩热点模型原理的三项式整体化学反应速率方程模型. 运用遗传算法确定了反应速率方程相关参数,通过与Forest-Fire反应速率模型数值模拟结果对比验证所建模型的合理性. 将所建反应速率方程模型嵌入有限元程序对PBX炸药起爆过程进行数值模拟,数值模拟结果与试验结果吻合较好,可以描述分析受冲击加载造成孔隙率、颗粒尺寸等变化的损伤炸药的冲击起爆过程.     

NH2自由基电子基态及激发态解离通道的静力学分析

本文利用原子分子反应静力学的基本原理,研究了NH2自由基体系的可能解离通道,得到了NH2自由基电子基态2B1及第一激发态2A1合理的解离通道。