外电场下氨分子光谱与激发特性研究

利用筛选的B3PW91密度泛函方法在CC-PVQZ基组下优化出氨分子的基态稳定构型,并考察了不同外电场对NH₃分子的特性及红外光谱(IR)的影响,在此基础上利用TD-DFT考察了不同外电场对NH₃分子前9个激发态的影响.结果表明：电场由0 a.u.增加至0.04 a.u.时,NH₃的构型参数与电场强度有明显的依赖关系;总能量(E_T)呈下降的趋势;偶极矩(μ)呈增加的趋势;最高占据分子轨道(HOMO)的能级呈降低的趋势,最低空分子轨道(LUMO)的能级呈增加的趋势;能隙(E_G)呈增加的趋势,即外电场会影响NH₃参与化学反应的能力;IR在电场考察范围内的特征峰位置及强度均会受到电场的影响,即可利用电场对分子的IR进行调控,从而便于对相关谱图信息的捕捉;外电场对NH₃分子的激发能及振子强度均有影响,因此,可以利用外电场来调控NH₃的激发特性.     

结合2D-COS和光谱融合技术的小麦淀粉回生特性定量表征

回生是淀粉加工、运输和储藏过程中的重要理化性质,快速检测淀粉回生程度对淀粉制品的品质和保质期有重要意义。为了探究二维相关光谱法(2D-COS)优选回生淀粉特征变量的可行性,研究结合2D-COS和光谱融合技术对小麦淀粉的回生特性进行定量表征。首先,将不同回生时间的小麦淀粉测定结晶度和回生度,从淀粉体系中晶体含量和对淀粉酶水解抗性的角度表征淀粉回生特性。然后,分别采集样品的近红外和中红外光谱数据,对采集的原始光谱进行Savitzky-Golay平滑和标准正态变量变换预处理后,结合偏最小二乘法分别基于近红外光谱、中红外光谱和融合光谱构建全光谱的预测模型。在此基础上,以回生天数为外部扰动,分别选取回生0, 1, 2, 3, 5, 7, 10, 14, 21和35 d的10条淀粉光谱进行2D-COS分析。通过分析同步谱和自相关谱,辨识了近红外13个和中红外11个与回生特性有关的特征波长。最后,基于这些特征波长进一步建立回生度和结晶度的预测模型。结果表明,全光谱模型结果中,光谱融合后的模型预测效果较好,结晶度模型的相对分析误差(RPD)值由1.203 4和2.069 0提高至3.980 9,回生度...     

基于微流控芯片的钾盐溶液太赫兹光谱特性研究

许多生物分子的振动及转动能级都在太赫兹波段,因此太赫兹时域光谱技术可以用来探测生物分子。并且由于太赫兹波的光子能量较低,仅为毫电子伏量级,在探测过程中不会破坏生物样品,所以太赫兹时域光谱技术在未来生化检测等研究领域具有非常广泛的应用前景。研究表明,大多数生物分子需要在液体环境中才能充分发挥其生物活性,然而水溶液中的氢键在太赫兹波段会产生强烈的吸收。另外,水分子是极性分子,太赫兹波对极性分子也有很强的共振吸收,这使得利用太赫兹时域光谱技术检测液体环境中的活性生物分子非常困难。因此,许多研究团队将太赫兹时域光谱技术与微流控技术相结合,以减少各种因素对生物分子检测的影响。微流控技术是通过减小微流控芯片中液体池的深度来减少液体样品与太赫兹波的作用距离,从而减少水溶液对太赫兹波的吸收。使用对太赫兹波的透过率高达95%的环烯烃共聚物(COC:Zeonor 1420R)为材料制作了双层微流控芯片,该微流控芯片内部液体池的长度和宽度均为4 cm,深度为50μm。此外,由于在电解质溶液中存在大量自由移动的阴阳离子,所以为了探究电解质溶液中自由移动的阴阳离子对太赫兹透射特性的影响,使用外加电场装置对注入液...     

连续激光辐照对三结砷化镓电池散射光谱的特性影响

太阳能电池作为一种高效的光电转化器,被广泛地应用于光伏发电系统中。激光作为一种高亮度光源辐照电池时,会导致其出现损伤,可利用电池的表面散射光谱特性,对其损伤程度进行判别。通过目标表面散射光谱测量系统,对激光辐照后的三结砷化镓电池散射光谱进行测量,并计算双向反射分布函数(BRDF)。其中测量系统主要由FX 2000和NIR 17型光纤光谱仪组成,针对电池表面的强镜反射特性,在实验中采用了入射角和反射角为30°的测量几何模型。原始三结砷化镓太阳能电池的结构主要包括减反射膜DAR层、顶电池GaInP层、中电池GaAs层和底电池Ge层,其散射光谱特征包括可见光谱段(500～900 nm)的吸收特性及近红外谱段(900～1 200 nm)的类周期振荡特性,在对连续激光辐照损伤后电池的光谱特性进行实验测量后,得到了损伤电池光谱BRDF的变化,并结合基于薄膜干涉理论的电池散射光谱模型,对各膜层损伤后的特征进行了分析。结果表明：DAR层的主要作用是降低光谱反射能量,对光谱曲线的特性影响较小;Ge层对光谱曲线形状基本无影响;电池散射光谱吸收和干涉等特征主要由GaInP层和GaAs层所引起,其中,GaIn...     

固-固界面退化特性的超声反射评价方法

提出了一种基于有限宽超声束反射的固-固界面退化特性评价方法,从理论和数值仿真角度进行了分析和计算。将两固体界面间的薄层简化为界面弹簧模型,以界面法向和切向劲度系数表征界面的退化程度。通过数值计算求得有限宽超声纵波束在不同入射角和界面不同退化程度下的反射横波、反射纵波的镜面反射系数。进一步地,通过建立二维有限元模型,仿真研究了有限宽超声纵波束在给定入射角及界面不同退化程度下镜面反射系数的变化规律。结果表明,反射纵波和反射横波的镜面反射系数随有限宽超声纵波束的入射角及界面劲度系数的改变而变化,且存在镜面反射系数随界面劲度系数单调且敏感变化的入射角,据此可准确评价界面的退化程度。     

海洋湍流外尺度对高斯光束传输特性的影响

针对功率谱反演法模拟的海洋湍流相位屏中缺乏外尺度对光学特性影响的模型,基于Nikishov海洋湍流功率谱模型,提出一种指数型外尺度的Nikishov谱的修正模型,并通过功率谱的收敛性质及标准化光谱对该模型进行验证。相比于已有的包含外尺度参量的功率谱模型,该修正谱形式较为简单,便于分离变量,可在后续的研究中基于波动光学理论借助超几何函数对光学参量理论公式进行推导。基于该功率谱修正模型建立复合海水信道湍流相位屏仿真模型,针对功率谱反演法生成的相位屏存在低频信息不足的缺陷采用低频次谐波进行补偿,通过光线追踪的蒙特卡洛统计方法分析了湍流外尺度对高斯光束光学特性以及信号时域扩展特性的影响。波动理论数值计算与基于相位屏的仿真结果一致表明：在弱湍流条件下,海洋湍流外尺度对准直高斯光束光束扩展、质心漂移特性的影响较大,对光强闪烁的影响较小;海洋湍流外尺度对时域展宽影响较小,湍流影响下的信号时域扩展与传输距离近似呈现二次函数关系。     

石墨烯玻璃透明薄膜加热特性

Graphene has become a research focus in recent years owing to its excellent characteristics, and glass is a commonly used material with high transparency and low cost. Graphene glass combines the excellent properties of both graphene and glass; graphene glass has not only high thermal conductivity, high electrical conductivity, and good surface hydrophobicity but also exhibits superior electrothermal conversion and wide-spectrum high-light-transmittance characteristics. Therefore, the study of graphene glass films is of theoretical value and practical significance. In this study, a high-purity glass-based (JGS1 quartz glass) multilayer graphene film was developed based on an atmospheric-pressure chemical vapor deposition (APCVD) method, and its electrical characteristics, light transmittance, and electrical heating characteristics were experimentally investigated in detail. The results show that graphene glass with different surface resistance values obtained through direct growth on a high-purity quartz glass substrate using the APCVD method, not only has excellent uniformity and quality, but also has considerably flat and high transmittance across the entire visible light region and exhibits excellent heating performance and fast response time. For graphene glass with a surface resistance of 1500 Ω·sq^-1, the light transmittance can reach 74%, and the saturation temperature can rise to 185 ℃ by applying a bias voltage of 40 V. In addition, when the resistance value of the graphene glass is 420 Ω·sq^-1, the graphene glass reaches a high saturation temperature of 325 ℃ in 40 s, and the corresponding heating rate can exceed 18 ℃·s^-1, achieving a significantly higher heating rate than other heating films at the same voltage. Compared with the polyethylene-terephthalate- (PET-) based and silicon-based graphene films obtained by the transfer, graphene glass has a higher saturation temperature, shorter thermal response time, and faster heating rate. Furthermore, graphene glass exhibits better heating cycle stability and longer-term heating stability at a constant voltage. In addition, an experiment using the graphene glass to thermally tune the wavelength of a vertical-cavity surface-emitting laser was conducted and gave good results. The position of the laser peak controlled by the graphene glass was red-shifted by 1.78 nm by applying a voltage of 20 V, and the wavelength tuning efficiency reached 0.059 nm·℃^-1. Compared with PET-based and silicon-based graphene films, the actual electrical heating capacity of graphene glass increased by 195%. These experimental findings demonstrate that graphene glass transparent films with excellent electric heating characteristics can be used in various transparent electric heating fields and have relatively wide application prospects.     

QUALITATIVE ANALYSIS OF DYNAMICAL BEHAVIOR FOR AN IMPERFECT INCOMPRESSIBLE NEO-HOOKEAN SPHERICAL SHELL

IntroductionIn applications, it is commonly considered that the phenomena of cavity formation,growth and run-through of adjacent cavities occur in materials as precursors to failure. Thesephenomena are mainly due to instability of materials. On the other …     

碳化钨－镍－钴－钼－氧化铅系高温自润滑金属陶瓷材料的综合性能研究

为了扩大ＷＣ－Ｎｉ－Ｍｏ－ＰｂＯ四组元复合材料在工程实际中的应用范围，利用中频感应热压法制备了Ｗｃ－Ｎｉ－Ｃｏ－Ｍｏ－ＰｂＯ系高温自润滑金属陶瓷材料，并对其物理机械性能和摩擦学性能进行了试验研究，结果表明，含镍和钴这两组元之重量比为２的Ｗｃ－Ｎｉ－Ｃｏ－Ｍｏ＿ＰｂＯ材料的综合性能最好，即使在６００℃的高温下也具有较高的机械强度和相当好的摩擦学性能，且其在高速、重载下的摩擦磨损性能也比较好，Ｘ射线衍射分析发现，这种材料在６００℃时的摩擦表面形成了均匀分布的ＰｂＷＯ４膜，这是其在高温下具有良好自润滑性的根本原因，在烧结温度下，ＷＣ可溶解于钴相形成面心立方结构的Ｃｏ３Ｗ３Ｃ、Ｃｏ２Ｗ４Ｃ和Ｃｏ３Ｗ６Ｃ化合物，这能增强材料中金属相与陶瓷相的结合力。在自然降温冷却过程中，从钴相中析出Ｃｏ３Ｗ和元素碳，后者可与钼形成ＭｏＣ，进而形成Ｗｃ－ＭｏＣ固溶体，这既能细化ＷＣ晶粒，又能强化晶界，而且钴与镍形成的连续固溶体可以使金属相得以强化。这些都是提高材料的高温机械性能和摩擦学性能的直接原因。     

Synthesis and characterization of magnetic polymer microspheres with a core-shell structure

Non-porous magnetic polymer microspheres with a core-shell structure were prepared by a novel micro-suspension polymerization technique. A stable iron oxide ferrofluid was used to supply the magnetic core, and the polymeric shell was made of glycidyl methacrylate （GMA monomer） and ethylene dimethacrylate （cross-linker）. In the preparation, polyvinyl alcohol was used as the stabilizer, and a lauryl alcohol mixture as the dispersant. The influence of various conditions such as aqueous phase volume, GMA and initiator amounts, reaction time and stirring speed on the character of the microspheres was investigated. The magnetic microspheres were then characterized briefly. The results indicate that the microspheres with active epoxy groups had a narrow size distribution range from 1 to 10 μm with a volume-weighted mean diameter of 4.5 μm. The saturation magnetization reached 19.9 emu/g with little coercivity and remanence.