稳恒磁场对Fe-Fe50 wt.%Si扩散偶中间相生长的影响

本文考察了Fe-Fe50 wt.%Si扩散偶在1200℃ 无磁场以及稳恒磁场下扩散层生长规律. 利用真空浇注强制冷却技术制备Fe-Fe50 wt.%Si扩散偶, 将制备的扩散偶进行1200℃不同磁感应强度下的热处理. 对获得热处理后试样进行SEM与EDS线扫描分析, 结果表明, 无论无磁场还是稳恒磁场下Fe-Fe50 wt.%Si扩散偶均生成两个扩散层, 即FeSi相层和Fe-Si固溶体层, 并且发现0.8 T下的两个扩散层宽度均小于0 T磁场下试样. 按照抛物线规律, 计算了扩散偶中间扩散层的互扩散系数, 发现0.8 T磁场下FeSi相层和Fe-Si固溶体层的互扩散系数较无磁场下 分别降低了26.7%与34.1%. 通过对磁吉布斯自由能的计算, 发现0.8 T磁场对扩散激活能Q的影响不足以影响扩散过程. 但扩散过程中原子振动频率ν会受到磁场的影响, 进而影响扩散常数D₀, 磁场对原子振动频率的影响可以用拉莫尔旋进理论进行解释. 关键词： Fe-Fe50wt.%Si扩散偶 稳恒磁场 FeSi相 Fe-Si固溶体     

Simulation of pedestrian counter flow through bottlenecks by using an agent-based model

Considerable research has been conducted on the topic of unidirectional evacuations from exits. However, few studies aim at simulating counter flow through a bottleneck with complex conflict. This paper proposes an agent-based model to investigate bidirectional flow evacuation. Pedestrian speed is determined by the speed of the leading agent and the surrounding agents. The moving direction of pedestrian originates from four forces, namely, gradient force, repulsive force, resistance force, and random force. These four forces dominate the main stream of the pedestrian moving trajectory, the interaction between pedestrians and their local environment, the resistance or disinclination to movement, and the random variations and chaotic nature of pedestrian dynamics. The novelty of this research is in the agent-based model that combines the agent and forces while providing insights for the simulation of the pedestrian dynamic on the cognitive level. The experiment results show that the behavior that arises from this model is consistent with the observations from Guangzhou Metro and that this model could help capture the essence of pedestrian behavior near egresses.     

Quantum anomalous Hall effect and related topological electronic states

Over a long period of exploration, the successful observation of quantized version of anomalous Hall effect (AHE) in thin film of magnetically doped topological insulator (TI) completed a quantum Hall trio—quantum Hall effect (QHE), quantum spin Hall effect (QSHE), and quantum anomalous Hall effect (QAHE). On the theoretical front, it was understood that the intrinsic AHE is related to Berry curvature and U(1) gauge field in momentum space. This understanding established connection between the QAHE and the topological properties of electronic structures characterized by the Chern number. With the time-reversal symmetry (TRS) broken by magnetization, a QAHE system carries dissipationless charge current at edges, similar to the QHE where an external magnetic field is necessary. The QAHE and corresponding Chern insulators are also closely related to other topological electronic states, such as TIs and topological semimetals, which have been extensively studied recently and have been known to exist in various compounds. First-principles electronic structure calculations play important roles not only for the understanding of fundamental physics in this field, but also towards the prediction and realization of realistic compounds. In this article, a theoretical review on the Berry phase mechanism and related topological electronic states in terms of various topological invariants will be given with focus on the QAHE and Chern insulators. We will introduce the Wilson loop method and the band inversion mechanism for the selection and design of topological materials, and discuss the predictive power of first-principles calculations. Finally, remaining issues, challenges and possible applications for future investigations in the field will be addressed.     

Vibrational Spectroscopic Investigation and Theoretical Calculations of (E)-3-Phenyl-N-[4-(Phenyl-Amino) Quinazoline-7-yl] Acrylamide

ABSTRACT

Optimized geometrical structure and harmonic vibration frequencies of prior synthesized (E)-3-phenyl-N-[4-(phenyl-amino) quinazoline-7-yl] acrylamide were computed by ab initio HF and DFT/B3LYP methods using both 6-31G* and 6-311G** basis sets and the Moller–Plesset second-order perturbation (MP2) method merely at the 6-31G* level. The infrared (IR) spectrum of the title compound has been measured in the range of 400–4000 cm^?1. Complete vibrational assignments of the IR spectra were proposed. Moreover, the calculated wavenumbers of the title compound were compared with the experimental data. The correlation analyses indicate that good linearity relationships exist between the scaled theoretical vibration frequencies and the experimental values. Additionally, the atoms in molecules (AIM) method was applied to explore the possible intramolecular interactions in the title compound.     

Preconcentration and Separation of Gold(III) from Ore Samples by Solid-Phase Extraction Prior to Its Catalytic Fluorescent Determination

ABSTRACT

A new catalytic kinetic fluorescent quenching method for the determination of trace gold(III) was investigated. The method was based on the catalytic effect of gold on oxidation of 3-(3′-methylphenyl)-5- (2′-arsenoxylphenylazo) rhodanine by hydrogen peroxide in potassium hydrogen phthalate–hydrochloric acid (pH = 3.4). Under the optimum conditions, the great decrease of fluorescence intensity has a linear relationship against the concentration of gold in the range of 0 to 12.0 µg·L^?1 with a detection limit of 6.0 × 10^?10g·L^?1. The coexistent metal ions can be separated, and gold can be enriched by TBP resin of solid-phase extraction, which greatly improves the selectivity and sensitivity of the system. The method can be used to determine trace amounts of gold in ore samples successfully with satisfactory results.     

Experimental measurement of the electrical conductivity of pyroxenite at high temperature and high pressure under different oxygen fugacities

Electrical conductivities of pyroxenite were measured between frequencies of 10^?1 and 10⁶ Hz in a multi-anvil pressure apparatus using different solid buffers (Ni+NiO, Fe+Fe₃O₄, Fe+FeO and Mo+MoO₂) to stabilize the partial pressure of oxygen. The temperature ranged from 1073 to 1423 K (800 to 1200 °C) and the pressure from 1.0 to 4.0 GPa. We observe that: (1) the electrical conductivity (σ) of pyroxenite depends on frequency; (2) σ tends to increase with rising temperature (T), and Log σ and 1/T obey a linear Arrhenius relationship; (3) under control of the buffer Fe+Fe₃O₄, σ tends to decrease with rising pressure, nevertheless the activation enthalpy tends to increase. For the first time we have obtained values for the activation energy and activation bulk volume of the main charge carriers, which are (1.60±0.07) eV and (0.05±0.03) cm³/mol, respectively; (4) for a given pressure and temperature, σ tends to rise with increased oxygen fugacity, whereas the activation enthalpy and preexponential factor tend to decrease; and (5) the behaviour of the electrical conductivity at high temperature and high pressure can be reasonably interpreted by assuming that small polarons provide the dominant conduction mechanism in the pyroxenite samples.     

Addition of multiwalled carbon nanotube and graphene nanosheet in cobalt oxide film for enhancement of capacitance in electrochemical capacitors

In order to enhance the capacitance of electrochemical capacitors, multiwalled carbon nanotubes (MWCNTs) and graphene nanosheets (GNS) were added to cobalt oxide (Co₃O₄) paste. The composite film based on Co₃O₄/MWCNT/GNS (95:4:1 wt%) exhibited a capacitance of 294 F/g while the capacitance of Co₃O₄/MWCNT (95:5 wt%) and pure Co₃O₄ film is 205 and 163 F/g, respectively. The enhanced capacitance of Co₃O₄/MWCNT/GNS composite film was attributed to the electrochemical contributions of the Co₃O₄ nanoparticle attached to the GNS as well as their significantly increased specific surface areas by MWCNTs. Furthermore, the composite films showed faradaic redox capacitive behavior to double-layer capacitive behavior due to the different nanostructures of the composites.     

Size effects on tensile and fatigue behaviour of polycrystalline metal foils at the micrometer scale

Tensile and fatigue properties of as-rolled and annealed polycrystalline Cu foils with different thicknesses at the micrometer scale were investigated. Uniaxial tensile testing results showed that with decreasing foil thickness the uniform elongation decreases for both as-rolled and annealed foils, whereas the yield strength and ultimate tensile strength increase for as-rolled foils, but decrease for the annealed foils. For both the as-rolled or annealed foils, bending fatigue resistance decreases with decreasing the foil thickness. Deformation and fatigue damage behaviour of the free-standing foils were characterised as a function of foil thickness. In addition, the fatigue strength of various small-scale Cu foils was compared to understand the physical mechanisms of size effects on mechanical properties of the metallic material at micrometer scales.     

激光产生温稠密物质的微观动力学过程及状态诊断

随着大型激光装置的建立和精密测量技术的发展,强激光与固体相互作用成为实验室产生温稠密物质的一个重要手段。温稠密物质的结构复杂性、瞬态性和非平衡性给理论建模和实验测量带来了巨大挑战。本文系统介绍了激光产生温稠密物质的实验手段和理论模拟方法方面的重要进展,分析了其中的电子激发动力学、电子-离子能量弛豫过程、离子动力学等物理过程,总结了温稠密物质状态诊断的实验技术和理论方法,并论述了激光产生温稠密物质的发展趋势。     

HgCdTe薄膜的输运特性及其应力调控

窄禁带直接带隙半导体材料碲镉汞(Hg1–xCdxTe)是一种在红外探测与自旋轨道耦合效应基础研究方面都具有重要应用意义的材料.本文对单晶生长的体材料Hg0.851Cd0.149Te进行阳极氧化以形成表面反型层,将样品粘贴在压电陶瓷上减薄后进行磁输运测试,在压电陶瓷未加电压时观察到了明显的SdH振荡效应.对填充因子与磁场倒数进行线性拟合,获得样品反型层二维电子气的载流子浓度为ns=1.25×10^16m^-2.在不同磁场下,利用压电陶瓷对样品进行应力调控,观测到具有不同特征的现象,分析应是样品中存在二维电子气与体材料两个导电通道.零磁场下体材料主导的电阻的变化应来源于应力导致的带隙的改变;而高场下产生类振荡现象的原因应为应力导致的二维电子气能级的分裂.