具有本征低晶格热导率的硫化银快离子导体的热电性能

硫化银(Ag_2S)是一种典型的快离子导体材料,前期关于Ag_2S的研究主要集中在光电和生物等领域.最近的研究表明, a-Ag_2S具有和金属一样的良好延展性和变形能力.但是, Ag_2S的热电性能尚无公开报道.本工作合成了单相Ag_2S化合物,系统研究了其在300—600 K范围的物相变化、离子迁移特性和电热输运性质.研究发现, Ag_2S在300—600 K温度区间表现出半导体的电输运性质.由于单斜-体心立方相晶体结构转变, Ag_2S的离子电导率、载流子浓度、迁移率、电导率、泽贝克系数等性质在455 K前后出现急剧变化.在550 K, Ag_2S的功率因子最高可达5μW·cm~(–1)·K~(–2). Ag_2S在300—600 K温度区间均表现出本征的低晶格热导率(低于0.6 W·m~(–1)·K~(–1)). S亚晶格中随机分布的类液态Ag离子是导致b-Ag_2S体心立方相具有低晶格热导率的主要原因.在573 K, Ag_2S的热电优值可达0.55,与Ag_2Se, Ag_2Te, CuAgSe等已报道的Ag基快离子导体热电材料的性能相当.     

理解O(3P)+CHD3→OH+CD3反应的转动模式特异性: 反应物排列图像

本文采用含时波包方法和七维约化量子模型研究了典型碳氢氧化反应O(³P)+CHD₃→OH+CD₃中反应分子CHD₃的转动模式特异性. 发现理论计算反应几率依赖于CHD₃转动量子数J在分子对称轴上的投影$K$和在O-CHD₃分子间轴上的投影K_tot,即P_Ktot=K=0>P_Ktot=K=J>P_Ktot=J,K=0=P_Ktot=0,K=J. 这种关系可以用反应物分子相对取向进行解释. 另外,反应物CHD₃的转动激发(J≤4)表现出比较弱的促进作用,但是K=0转动态激发的促进作用比K=J的强,主要得益于K=K_tot=0分量的贡献. 该分量对应于CHD₃的滚动转动,这种运动形式可以增大初始有效反应碰撞角度的范围.     

Optical emission behaviors of C,Al, Ti,Fe, Cu,Mo, Ag,Ta, and W wire explosions in gaseous media

Electrical explosion of wires (EEW) is a promising method for nanopowders preparation and insensitive explosives ignition. Plasma radiation plays a key role in the ignition process while little attention has been paid on this phenomenon before. This letter introduces optical emission behaviors of electrical explosions for nine materials in air, Helium, and Argon with the SWE-2 platform. Experimental results indicated that the light intensity for non-refractory metals decayed rapidly after the discharge ended. In contrast, for refractory metals, the emission continued to increase and lasted for a long period after the discharge ceased. As for spectra, the emission consisted of line and continuous spectra. With the atomic number increased, the density of lines grew rapidly, leading to a “continuous” appearance.     

The Effects of Wettability on Primary Vortex and Secondary Flow in Three-Dimensional Rotating Fluid

The secondary flow driven by the primary vortex in a cylinder,generating the so called "tea leaf paradox",is fundamental for understanding many natural phenomena,industrial applications and scientific researches.In this work,the effect of wettability on the primary vortex and secondary flow is investigated by the three-dimensional multiphase lattice Boltzmann method based on a chemical potential.We find that the surface wettability strongly affects the shape of the primary vortex.With the increase of the contact angle of the cylinder,the sectional plane of the primary vortex gradually changes from a steep valley into a saddle with two raised parts.Because the surface friction is reduced correspondingly,the core of the secondary vortex moves to the centerline of the cylinder and the vortex intensity also increases.The stirring force has stronger effects to enhance the secondary flow and push the vortex up than the surface wettability.Interestingly,a small secondary vortex is discovered near the three-phase contact line when the surface has a moderate wettability,owing to the interaction between the secondary flow and the curved gas/liquid interface.     

表/界面水的扫描探针技术研究进展

表面和界面水在自然界、人们的日常生活以及现代科技中无处不在.它在物理、化学、环境学、材料学、生物学、地质学等诸多基础学科和应用领域起到至关重要的作用.因此,表面和界面水的功能与特性的研究,是水基础科学的一项核心任务.然而,由于水分子之间氢键相互作用的复杂性,及其与水-固界面相互作用的竞争,使得表(界)面水对于局域环境的影响非常敏感,往往需要深入到分子层次研究其微观结构和动力学过程.近年来,新型扫描探针技术的发展使得人们可以在单分子甚至亚分子尺度上对表(界)面水展开细致的实空间研究.本文着重介绍几种代表性的扫描探针技术及其在表(界)面水体系中的应用,包括:超高真空扫描隧道显微术、单分子振动谱技术、电化学扫描隧道显微术和非接触式原子力显微术.此外,本文还将对表(界)面水扫描探针技术研究面临的挑战和未来发展方向进行了展望.     

共轭高分子中激子演化过程的非绝热动力学研究

有机共轭高分子受光激发或被电荷掺杂后可能会产生各种激发状态的激子,激子的演化过程对有机发光光谱有着至关重要的影响.通过非绝热动力学演化的方法模拟了受光激发后有机高分子中激子驰豫的动力学过程,结果表明高激发态激子不稳定,由于电声耦合作用,高激发态激子会持续向低激发态激子演化,同时,低激发态激子的复合发光会发生红移.稳定的激子复合发光光谱中,基态激子发光强度最大,可高达70-80%;第一激发态激子及其它激发态激子发光强度的总和不超过20%.     

基于细观混凝土模型的时间逆转损伤成像方法

提出了一种针对混凝土结构损伤检测的时间逆转损伤成像方法.以检测混凝土结构中与骨料尺寸相近的微小损伤为目的,引入细观混凝土随机骨料模型,该模型将混凝土结构视为由水泥浆基底、骨料及粘接层组成的三相复合材料,基于Monte Carlo随机样本原理并结合真实试件的骨料级配曲线建立.在数值模拟分析中,将生成含损伤的细观模型导入有限元分析软件进行超声波场模拟,同时采用自适应性强的时间逆转模型(time reversed model,TRM)进行损伤定位.TRM分为正向检测和逆时成像两个部分:正向检测过程得到包含损伤的一系列散射回波信号,从数值角度进行时间反演并作为逆时过程的输入信号;逆时成像过程选用等效弹性参数模型,几何尺寸与随机骨料模型相同,时反信号在相应几何位置同时加载形成时反波场,时反波场在损伤位置会发生干涉叠加从而导致能量峰值的出现,通过确定干涉峰值时刻,并获取该时刻对应原始波场以及小波变换能量场完成成像.与原始数据波场图相比,小波变换处理成像结果消除了杂波干扰,成像结果更加清晰.进一步对等效弹性参数的取值进行讨论,并且在骨料尺寸范围内调整损伤大小,结果显示成像结果匹配度高,对于非均质混凝土结构的损伤检测能很好满足损伤定位需求.由此证明,时间逆转成像方法对于具有复杂结构的混凝土材料的损伤检测具有较好的适用性.     

Amorphous Cobalt Coordination Nanolayers Incorporated with Silver Nanowires: A New Electrode Material for Supercapacitors

The 2D amorphous cobalt coordination framework/silver nanowires nanocomposites (A‐CoL/Ag NC) are successfully synthesized by one‐step solution agitation at room temperature. The experimental data reveal that the hybrid provides sufficient contact between active materials and electrolyte, and facilitates the transfer of ions/electrons, resulting in high specific capacitance, high output potential, great rate capacity at high current density, and good cycle stability. As supercapacitor electrode materials, the as‐prepared A‐CoL/Ag NC electrode exhibits a great specific capacitance which can reach up to 1467 mF cm^?2 at 1.0 mA cm^?2, and 1060 mF cm^?2 even at 10.0 mA cm^?2. The A‐CoL/Ag NC// activated carbon asymmetric supercapacitor (AC ASC) displays a maximum energy density (110 W h kg^?1 at 760 W kg^?1) and maximum power density (6410 W kg^?1 at 63 W h kg^?1) in 3.0 m KOH. Moreover, the developed solid‐state A‐CoL/Ag NC//AC ASC has a broad operated potential window within 0–1.6 V, long cycle life (95.2% after cycling 7000 cycles), delivering an energy density of 151 W h kg^?1 (at 790 W kg^?1), and a power density of 7972 W kg^?1 (at 70 W h kg^?1). The well‐synthesized nanocomposite provides a novel way to synthesize prominent electrode materials for supercapacitors.     

刮擦“全息”的实验探索及理论分析

基于刮擦全息理论,由模拟仿真得出图像畸变与半径R的变化规律,通过具体实验,证实了刮擦"全息"仅是基于光反射原理的"全息"图,是一种伪全息。