Decay rate with coordinate-dependent diffusion coefficients

Using a master equation for the reduced density matrix of open quantum system, the influence of coordinate-dependent microscopical diffusion coefficients on the decay rate from a potential well is studied. For different temperatures, frictions, heights of barrier and ratios of stiffnesses of the potential in the minimum and on the top of the barrier, the quasistationary decay rates are obtained with the sets of coordinate-dependent and -independent microscopical diffusion coefficients, and coordinate-dependent phenomenological diffusion coefficients.     

Transport of waves in disordered waveguides: A potential model

We study the statistical properties of wave transport in a disordered waveguide. We first derive the properties of a “building block” (BB) of length δL starting from a potential model consisting of thin potential slices. We then find a diffusion equation—in the space of transfer matrices that describe our system—which governs the evolution with the length L of the disordered waveguide of the transport properties of interest. The latter depend only on the mean free paths and on no other property of the slice distribution. The universality that arises demonstrates the existence of a generalized central-limit theorem. We have developed a numerical simulation in which the universal statistical properties of the BB found analytically are first implemented numerically, and then the various BBs are combined to construct the full waveguide. The reported results thus obtained are in good agreement with microscopic calculations, for both bulk and surface disorder.     

Complex turing patterns in non-linearly coupled systems

Recently pattern formation in layered structures, showing complicated superimposed patterns, has been modeled by coupling two Turing systems linearly, i.e., passively, such that the characteristic length scales of the independent systems are well separated. Here we propose a model of two non-linearly coupled Turing systems to study pattern formation in layered membrane-like structures, where the coupling plays an active role and changes the kinetics of the uncoupled systems. Extensive numerical simulations show that non-linear coupling generates a number of new regular patterns different from the ones observed earlier with linearly coupled systems. Some of them turn out to be superimposed patterns with different length scales, but many are not. Also, contrary to the linear coupling case, the strength of the non-linear coupling is found to play an important role in the formation and selection of patterns.     

First-principles study of fundamental properties and electronic structure of alloys

We have performed first-principles calculations using full-potential augmented-plane-wave method to investigate the fundamental properties of the Cd_1–xZn_xTe alloys. The composition dependence of the lattice constant and the bulk modulus have been estimated from total energy calculations. By means of the analytical fitting the band structures in the vicinity of the Brillouin center a complete set of effective electron- and hole-masses have also been derived. In order to further understand the effects of the chemical bonding on the above macroscopic properties we then studied the relaxation behaviors and the changes of the electronic states upon alloying for x=0.25 system. The results presented here yield a general understanding of the fundamental properties for the Cd_1–xZn_xTe crystals studies.     

电子回旋共振离子源等离子体的密度测量

 诊断电子回旋共振离子源等离子体的传统方法是采用传统的单探针无发射时测量伏安曲线,并根据曲线的拐点由理论公式计算出的等离子体密度。本文设计并研制了等离子体密度的测量装置。采用单根朗缪尔探针（该探针可以用来发射电子）测量等离子体的伏安特性。在探针有发射和无发射两种状态下测量得到两条伏安曲线,根据这两条曲线的"分叉点"得到等离子体电位,然后根据该电位直接由计算机计算出电子温度、电子密度。采用该新方法,测量得到的等离子体参量空间电位约为17 V,悬浮电位约为-5 V,电子温度约为4.4 eV,离子密度为1.10×10¹¹cm^-3,与传统方法计算出的等离子体1.12×10¹¹cm^-3相比,两者相差仅1.8％,但新方法效率和精度更高。     

双功能MoNi4电极实现水参与的氮杂环化合物转移氢化与脱氢

氮杂环的催化氢化在有机合成、药物研发、石油化工等领域有着重要应用.尽管发展了一系列均相和非均相催化加氢体系,但由于通常使用易燃易爆的氢气或价格昂贵且毒性较高的试剂(如:水合肼和硼氢化钠)为氢源,给安全生产及生态环境带来了严重的问题.此外,由于动力学同位素效应,氘代药物具有重要应用.氮杂环结构作为生物医药的构筑单元与关键中间体,现有的策略由于没有合适的氘源难以用于氘代氮杂环化合物的合成.因此,急需开发一种基于非贵金属催化剂和安全易得氢(氘)源的氮杂环催化氢(氘)化策略.水相中的电化学氢化可利用水电解原位产生的活性氢替代传统的氢气裂解实现有机氢化产物的合成,已成为一种理想氢化策略,被广泛应用于二氧化碳还原、硝酸根还原和生物质氢解等.本课题组前期研究已经实现了以氘水为氘源的氘代分子的高效电化学合成(Angew.Chem.Int.Ed.,2020,59,18527–18531;Angew.Chem.Int.Ed.,2020,59,21170–21175;CCS Chem.,2021,3,507–515).然而,要开发一种电化学的杂环氢化方法,一方面要克服氮杂环化合物对催化剂的毒化,另一方面要在电极表面产生大量的活性氢.因此,开发具有较好的水离解性能的非贵金属电极材料是实现氮杂芳烃电化学氢化和氘代的关键.基于上述要求,MoNi4(目前用于碱性电催化水分解制氢的活性较高的非贵金属材料)成为理想的电极材料.本文以喹喔啉(1,2,3,4-四氢喹喔啉骨架作为重要的结构单元存在于许多生物活性化合物中)作为模板底物,设计并制备了三维自支撑的MoNi4多孔纳米片为双功能电极,以水和氘水为氢源和氘源,实现了喹喔啉及其他氮杂环分子的氢化与氢化,同时实现了四氢喹喔啉的电化学氧化脱氢.制备了MoNi4纳米片阵列,利用扫描电子显微镜、透射电子显微镜、X射线衍射和X光电子能谱等手段进行表征,评估了其在碱性电解液中用于喹喔啉电化学转移氢化的性能.结果表明,MoNi4电极加速了动力学缓慢的Volmer步骤,在仅50 mV的过电势下以80％的法拉第效率实现了喹喔啉的电化学氢化.电子顺磁共振等证实水电解生成了H*,并与喹喔啉自由基阴离子偶联实现喹喔啉的氢化.同时,该电化学转移氢化方法可很好地应用于一系列喹喔啉衍生物和其他氮杂芳烃化合物.克级合成体现了该电化学转移氢化方法的潜在应用性.原位拉曼实验结果表明,在MoNi4表面形成的NiOOH是实现1,2,3,4-四氢喹喔啉氧化脱氢的重要物种.此外,以D2O代替H2O,可以较好的收率和高达99％的氘化率实现氘代氮杂环的合成.与传统的氮杂环氢化方法相比,本文的电化学转移氢化策略具有绿色、温和、高效的特点,同时拓宽了电化学氢化在合成化学中的应用.     

基于大功率LED扩展光源的均匀光斑光辐射模拟器设计

基于边缘光线原理和光学扩展量守恒思想,结合复合抛物面聚光器和轴对称自由曲面透镜,设计并研制了大功率发光二极管扩展光源的反射/折射准直器.运用Tracepro软件对系统进行光束追迹模拟仿真和实验,研制出均匀光斑的光辐射模拟器.模拟器输出发散角为±12°光束,测量距离出射面50cm处光屏的光斑,在尺寸为14cm×14cm的光照范围内,测得光斑水平方向中心线上的光度均匀度优于4.1%,竖直方向中心线上的光度均匀度优于3.8%.     

An efficient splitting technique for two‐layer shallow‐water model

We consider the numerical approximation of the weak solutions of the two‐layer shallow‐water equations. The model under consideration is made of two usual one‐layer shallow‐water model coupled by nonconservative products. Because of the nonconservative products of the system, which couple both one‐layer shallow‐water subsystems, the usual numerical methods have to consider the full model. Of course, uncoupled numerical techniques, just involving finite volume schemes for the basic shallow‐water equations, are very attractive since they are very easy to implement and they are costless. Recently, a stable layer splitting technique was introduced [Bouchut and Morales de Luna, M2AN Math Model Numer Anal 42 (2008), 683–698]. In the same spirit, we exhibit new splitting technique, which is proved to be well balanced and non‐negative preserving. The main benefit issuing from the here derived uncoupled method is the ability to correctly approximate the solution of very severe benchmarks. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1396–1423, 2015     

A new method for numerical differentiation based on direct and inverse problems of partial differential equations

In this paper, we mainly study a numerical differentiation problem which aims to approximate the second order derivative of a single variable function from its noise data. By transforming the problem into a combination of direct and inverse problems of partial differential equations (heat conduction equations), a new method that we call the PDEs-based numerical differentiation method is proposed. By means of the finite element method and the Tikhonov regularization, implementations of the proposed PDEs-based method are presented with a posterior strategy for choosing regularization parameters. Numerical results show that the PDEs-based numerical differentiation method is highly feasible and stable with respect to data noise.     

Laser ion source activities at Brookhaven National Laboratory

In Brookhaven National Laboratory (BNL), we have been developing laser ion sources for diverse accelerators. Tabletop Nd:YAG lasers with up to several Joules of energy are mainly used to create ablation plasmas for stable operations. The obtained charge states depend on laser power density and target species. Two types of ion extraction schemes, direct plasma injection scheme (DPIS) and conventional static extraction, are used depending on the application. We optimized and selected a suitable laser irradiation condition and a beam extraction scheme to meet the requirement of the following accelerator system. We have demonstrated to accelerate more than 5?×?10¹⁰ of C⁶⁺ ions using the DPIS. We successfully commissioned a low-charge ion beam provider to the user facilities in BNL. To achieve higher current, higher charge state and lower emittance, further studies will continue.