球形方解石的合成和表征

25℃下,用豆腐废水作为碳酸钙形貌调节剂,用Na2 CO3和CaCl,·6H2O作为原料合成碳酸钙,研究豆腐废水对产物组成和粒子形貌的影响.用粉末X-射线衍射仪(XRD)和红外光谱仪(FT-IR)对合成的产品晶型进行了表征,用扫描电子显微镜(SEM)观察研究粒子的形貌.研究结果显示,合成得到的产物是纯的方解石,粒子的形状是球形的或者是接近球形的.结果 说明,豆腐废水虽然不会影响碳酸钙的晶型,但是会影响碳酸钙粒子的形貌.     

Collective sustained oscillations in excitable small-world networks: the moderate fundamental loop or the minimum Winfree loop?

Nonlinear Dynamics - The problem of self-sustained oscillations in excitable complex networks is the central issue under investigation, among which the exploration of the key factors in determining...     

交错跃迁Hofstadter梯子的量子流相

为玻色Hofstadter梯子模型引入交错跃迁,来扩展模型支持的量子流相.基于精确对角化和密度矩阵重整化群计算发现,无相互作用时,系统中包含横流相、涡旋相和纵流相;横流相来自均匀跃迁时Hofstadter梯子模型的Meissner相,纵流相是交错跃迁时才可见的流相.强相互作用极限下系统的超流区也包含横流相、纵流相和涡旋相,但存在更多的相变级数;超流区的横流相、纵流相之间存在相变但Mott区的不存在,把Mott区的"横、纵流相"称为Mott-均匀相,在Mott区只存在均匀相和涡旋相.跃迁的交错会压缩涡旋相存在的区域,使Mott区最终只剩下均匀相;跃迁的交错不仅能驱动Mott-超流相变,还使磁通的改变也能够驱动系统的Mott-超流相变.对这一系统的研究丰富了磁通系统中的量子流相,同时为研究拓扑流特性提供了模型支持.     

核电池概述及展望

核电池具有能量密度高、工作稳定可靠、无需人工干预等优点，在需要长期稳定供电的场合具有独特优势，其中热转换式核电池(RTG)是技术最为成熟且应用最早的一类，而β辐射伏特效应核电池已有商业化案例。目前，在β辐射伏特效应核电池研究中存在着放射源自吸收效应浪费能量、转化效率低、换能器件辐射损伤严重等问题，而对于一个实际的核电池，由于放射源自身不断衰变的属性，导致源的成分及其活度随着时间而发生变化，最终影响核电池的电学性能，其影响程度需要加以深入研究。本文以时间轴的形式对核电池的发展进行了全面回顾，简要介绍多种主流类型核电池的原理和应用范围；对于β辐射伏特效应核电池，指出放射源的自吸收是其中的关键科学问题。对于使用63Ni和TiT₂放射源的核电池，给出了其电学性能随时间变化的规律；指出对于某一特定结构的β辐射伏特效应核电池设计，在前期的模拟优化环节中，精细计算是至关重要的；最后提出了将放射源与换能材料相结合、使用含有较重同位素的换能器件的设想，这些设想有利于解决放射源自吸收问题、提高核电池输出功率和减轻辐射损伤的影响。     

Theoretical investigation of the crystallographic structure,anisotropic elastic response,and electronic properties of the major borides in Ni-based superalloys

ABSTRACT

In Ni-based superalloys, it is usually found that borides can strengthen the grain boundaries, thereby resulting in an increase in mechanical strength and high-temperature creep properties. Due to their importance and prevalence in Ni-based superalloys, this study employs first-principles methods to investigate the crystallographic structure, anisotropic elastic response, and electronic properties of the major borides, such as M₂B, M₅B₃ and M₃B₂ (M: Cr, Mo, W), respectively, which is necessary for the assessment of complex mechanical responses of Ni-based superalloys. The results demonstrate that the studied borides are all thermodynamically and mechanically stable. Among the M _x B _y binary borides analysed, Cr _x B _y exhibits the largest shear modulus, Young’s modulus, and Vicker hardness values, and these properties increase with the increase of B contents. The studied borides display nearly isotropic elastic properties except for W₅B₃ and W₃B₂. The electronic structure analysis of M _x B _y shows that the strong hybridisation between M-d and B-p orbitals leads to these borides exhibiting higher theoretical hardness, and the overlapping peaks of M-d and B-p orbitals move to a lower energy area with the increase of B contents, which leads to the increase of shear and Young’s moduli of M _x B _y . Furthermore, for M₃B₂ borides, the Cr-B bonds and Cr–Cr bonds are much stronger than the W-B & Mo-B bonds, and W-W & Mo-Mo bonds, respectively, which leads to Cr _x B _y yielding the largest values of elastic moduli.     

The production of enantiomerically pure 1-phenylethanol by enzymatic kinetic resolution method using response surface methodology

As the enantiomers of 1-phenylethanol are valuable intermediates in several industries, the lipase catalyzed kinetic resolution of (R,S) -1-phenylethanol is a relevant research topic. In this study, the goal was to determine the optimum reaction parameters to produce enantiomerically pure 1-phenylethanol by lipase (Novozyme 435) catalyzed kinetic resolution using response surface methodology (RSM). Reactions were performed with 40–400 mM (R,S)-1-phenylethanol, 120–1200 mM vinyl acetate and 2–22 mg/mL biocatalyst concentrations (BC _L ), at 20–60 °C and with a stirring rate of 50–400 rpm for 5–120 min. The samples were analyzed using high performance liquid chromatography (HPLC) with a Chiralcel OB column. Optimum reaction parameters to reach 100% enantiomeric excess for the substrate ( ee _s ) were determined as follows: substrate concentration (C _s ): 240 mM, BC _L : 11 mg/mL, at 42 °C with a reaction time of 75 min. Model validation was performed using these conditions and ee _s was calculated as 100%, which indicates the predicted model was efficient and accurate. When compared to the literature, it was observed that the reaction time decreased significantly. This is an important result considering the industrial scale perspective.     

微极流体方程组在Besov空间中弱解的正则性准则

In this paper,we investigate the regularity criterion via the pressure of weak solutions to the micropolar fluid equations in three dimensions.We obtain that for 0<α<1 if p€L^2/a(0,T;B^α∞,∞),then the weak solution(u,ω)is regular on(0,T).     

物理演示实验教学在高素质新型军事人才培养中的作用

培养高素质新型军事人才是国防科技大学的核心任务之一.物理演示实验以直观、形象地演示物理现象为课程特色,可有效提高学员对物理规律、物理本质的直观认识和深刻理解,并引起学员的深入思考,在教学实践中可促进学员科学素质、综合能力和创新能力的提高.     

无机钙钛矿太阳能电池Cs2SnI6的电子结构和光学性质的第一性原理研究

近年来,Cs2SnI6作为一种无毒性、稳定性好的新型钙钛矿材料应用于太阳能电池中,其电池的光电转换效率由最初不到1%增长到现在的8.5%,使之成为有可能替代铅基钙钛矿太阳能电池的新型太阳能电池。本文采用基于广义密度泛函和杂化密度泛函的第一性原理方法研究了Cs2SnI6的电子结构、光学特性和钙钛矿太阳能电池的光电性能参数。研究结果表明,导带底和价带顶位于同一高对称点Γ而属于直接跃迁型半导体,且电子态主要来自于I-5p轨道和Sn-5s轨道。在近红外和可见光波长范围内有较高的吸收系数,当Cs2SnI6钙钛矿厚度达到10μm时,吸收率在311~989 nm之间接近100%,不考虑潜在损失的情况下,理论上太阳能电池可获得短路电流为32.86 mA/cm2、开路电压0.91 V、填充因子87.4%、光电转换效率26.1%。为实验上制备高效Cs2SnI6钙钛矿太阳能电池提供了参考。     

第三族金属氧化物离子对二氧化碳转化的红外光谱研究

本文利用红外光解离光谱研究了第三族金属氧化物离子对二氧化碳分子的转化机制. 研究表明，对于[ScO(CO₂)_n]⁺体系，在n≤4时，形成了溶剂化结构；在n=5时，形成了碳酸盐结构，实现了二氧化碳的转化. 对于[YO(CO₂)_n]⁺体系，需要4个二氧化碳分子就可以实现二氧化碳的转化. 而在[YO(CO₂)_n]⁺体系中，只发现了溶剂化结构，没有观察到碳酸盐结构. 理论计算表明，[YO(CO₂)_n]⁺体系拥有最小的溶剂化结构向碳酸盐结构转化能垒，[LaO(CO₂)_n]⁺体系拥有最大的溶剂化结构向碳酸盐结构转化能垒. 本文从分子水平揭示了不同金属氧化物离子对二氧化碳分子转化的影响规律.