新型负热膨胀氧化物材料的研究

综述了这年来国际上兴起的氧化物ZrW2O8,Y2W3O12等新型负热膨胀材料的研究及其进展。对研究此类负热膨胀氧化物的重要性,其优异的负热膨胀性能以及它的结构特点、机制及可能的应用作了论述。建议我国加大此项课题的研究力度。     

二元Lennard-Jones液体的相分离过程及其扩散性质的分子动力学研究

采用分子动力学(MD)模拟方法,研究了二元体系中相分离过程、粒子的扩散系数以及相分离域尺寸大小随温度的变化规律.发现,相分离域随温度的生长过程可以分为两个阶段,分别是温度比较高的快速生长阶段和低温时的稳定生长阶段;相分离体系中系统的扩散激活能不是常数,而是一个随温度变化的函数,并且当温度高于60 K时,满足关系式E(T)=a+bT^c.讨论了组元尺寸的变化对相分离过程的影响.结果表明,随两组元中某一组元 关键词： 相分离 扩散 分子动力学模拟     

Topological hinge modes in Dirac semimetals

Dirac semimetals (DSMs) are an important class of topological states of matter. Here, focusing on DSMs of band inversion type, we investigate their boundary modes from the effective model perspective. We show that in order to properly capture the boundary modes, k-cubic terms must be included in the effective model, which would drive an evolution of surface degeneracy manifold from a nodal line to a nodal point. Sizable k-cubic terms are also needed for better exposing the topological hinge modes in the spectrum. Using first-principles calculations, we demonstrate that this feature and the topological hinge modes can be clearly exhibited in β-CuI. We extend the discussion to magnetic DSMs and show that the time-reversal symmetry breaking can gap out the surface bands and hence is beneficial for the experimental detection of hinge modes. Furthermore, we show that magnetic DSMs serve as a parent state for realizing multiple other higher-order topological phases, including higher-order Weyl-point/nodal-line semimetals and higher-order topological insulators.     

Mechanical and electrochemical properties of platinum coating by double glow plasma on titanium alloy substrate

In this paper, a platinum coating was deposited on titanium alloy substrate by a double glow plasma. Phase and microstructure of platinum coating were examined by X-ray diffraction and scanning electron microscopy, respectively. The microhardness of the coating was estimated by nanoindentation instrument. The adhesive force between the coating and the substrate was performed with scratch tester. The electrochemical behavior of the platinum coating in 3.5 wt % sodium chloride solution was investigated by potentiodynamic polarization. The results indicated that an adherent platinum coating could be successfully obtained on titanium alloy substrates. Compared with the titanium alloy substrate, the platinum coating had a relative low corrosion current density and high corrosion potential. It indicated that the platinum coating had a better corrosion resistance than the titanium alloy substrate.     

Generalized Fourth-Order Decompositions of Imaginary Time Path Integral: Implications of the Harmonic Oscillator

The imaginary time path integral formalism offers a powerful numerical tool for simulating thermodynamic properties of realistic systems. We show that, when second-order and fourth-order decompositions are employed, they share a remarkable unified analytic form for the partition function of the harmonic oscillator. We are then able to obtain the expression of the thermodynamic property and the leading error terms as well. In order to obtain reasonably optimal values of the free parameters in the generalized symmetric fourth-order decomposition scheme, we eliminate the leading error terms to achieve the accuracy of desired order for the thermodynamic property of the harmonic system. Such a strategy leads to an efficient fourth-order decomposition that produces third-order accurate thermodynamic properties for general systems.     

Flux vector formulation for photon propagation in the biological tissue

We present a generalized delta-Eddington phase function to simplify the radiative transfer equation to an integral equation with respect to the photon flux vector. The solution of the integral equation is highly accurate to model the photon propagation in the biological tissue over a broad range of optical parameters, especially in the visible light spectrum where the diffusion approximation breaks down. The methodology is validated in the Monte Carlo simulation and can be applied in various optical imaging applications.     

以研促教：新型荧光探针检测铜离子的研究应用于分析化学拓展实验教学中

将新型荧光探针用于铜离子分析的科研成果转化为本科分析化学拓展实验教学,涵盖了结构分析、定性分析、定量分析等教学内容。通过荧光的“开-关-开”实验让学生直观地理解荧光探针与铜离子之间的配位反应,提升学生的研究兴趣;引导学生以研究者的角色设计和执行新的分析方法的建立程序并将建立的方法应用于实际样品分析中;探究荧光探针与铜离子的络合比;最后将荧光探针技术应用到快速分析领域中,鼓励学生活学活用。