非晶态镍硼酸盐结构的EXAFS研究

由摩尔比分别为1:2和1:8的NiCl₂·6H₂O和Na₂B₄O₇·10H₂O作为反应物, 合成两种非晶态镍硼酸盐, 同时通过水热法合成β-Ni(OH)₂. 化学分析和热重-微商热重法(TG-DTG)分析结果确定两种非晶态镍硼酸盐的分子组成分别为NiO·0.8B₂O₃·4.5H₂O和NiO·B₂O₃·3H₂O. 激光拉曼(Raman)实验结果表明镍硼酸盐样品中主要存在的硼氧阴离子为B₃O₃(OH)₅^2-和B₂O(OH)₆^2-. 同步辐射扩展X射线吸收精细结构(EXAFS)方法对样品进行结构解析, 通过数据拟合给出样品中Ni 原子周围近邻配位原子种类、配位数以及原子间距离. 用不同晶体结构作为标准对两种非晶态镍硼酸盐进行拟合的结果表明, 样品中Ni 原子周围局域结构与Ni₃B₂O₆晶体(ICSD No.31387)中的吻合较好. Ni 原子周围配位原子为O、B和Ni, 对于NiO·0.8B₂O₃·4.5H₂O, 配位数分别为5.7、3.8和3.8, 配位距离分别为0.208、0.263 和0.311 nm; 对于NiO·B₂O₃·3H₂O, 配位数分别为6.0、4.0 和4.0, 配位距离分别为0.207、0.262和0.310 nm.     

Predicting ion selectivity in water purification by capacitive deionization: Electric double layer models

Ion-selective water treatment is needed to address emerging problems in an energy- and cost-efficient manner. Capacitive deionization (CDI) is a membraneless water treatment technology, which relies on storing ions in charged electric double layers (EDLs) of micropores. CDI has shown remarkable selectivity, with local density approximations (LDAs) showing some success in guiding selective separations. However, many underlying processes are represented by lumped fitting parameters in LDA models, hindering further progress. Atomistic models help unravel selectivity mechanisms, but are difficult to integrate with cell-level CDI theory. Here, we review and extend LDA models for CDI, highlight a knowledge gap in connecting between LDA and atomistic models for CDI, and emphasize and build upon analogies between micropore EDLs and nanofiltration membranes.     

海森堡XYZ自旋链系统的热纠缠与局域量子不确定性研究

研究了热平衡温度,自旋交换相互作用,Dzyaloshinskii-Moriya(DM)相互作用及外加非一致性磁场对两比特海森堡XYZ自旋链量子系统的热纠缠与局域量子不确定度的影响,对比分析了并发度量子纠缠与局域量子不确定度描述自旋链系统量子关联的差别.结果表明自旋链系统的量子纠缠在热平衡温度,DM相互作用及外加磁场的非一致性参数的变化情况下均会出现纠缠突然死亡的再生现象,而自旋链系统的局域量子不确定度随着这些参数呈连续变化现象.并且,自旋交换相互作用,DM相互作用及外加横向磁场作用强度较小时,他们的变化对自旋链系统的量子纠缠与局域量子不确定度的影响有着明显的差别.     

局部偏最小二乘回归建模参数对近红外检测结果的影响研究

报道了在局部加权(LWR)回归方法基础上,自主改进的更简单、实用的局部偏最小二乘回归(LPLS)的原理和方法。并以云南优质烤烟为实验材料,在国产光栅漫反射型近红外仪器上,研究了主成分数以及局部建模样品数对检测结果的影响。结果表明：应用交叉验证方法推荐的尼古丁组分模型主成分数并不是最优,通过适当降低主成分数可提高检测效果;局部建模样品数为30～50个时总糖、总氮、尼古丁预测准确度的提高幅度可分别达7%,14%,10%以上。该方法能有效提高近红外数学模型的预测准确度,是建立具有高度适应性近红外数学模型的有效方法。     

Infrared image enhancement through saliency feature analysis based on multi-scale decomposition

To improve contrast between dim target region and background in infrared (IR) long-range surveillance, this paper proposes a fast image enhancement approach using saliency feature extraction based on multi-scale decomposition. Firstly, a smooth based multi-scale decomposition is designed and applied to original infrared image, generating sub-images with various frequency components at different decomposition levels. The dim target regions of sub-images are extracted by a local frequency-tuned based saliency feature detection method, secondly. With saliency maps created by saliency extraction using multi-scale local windows with different sizes, the sub-images are enhanced at different decomposition scales. Finally, the enhanced result is reconstructed by synthesizing the all sub-images with adjustable synthetic weights. Since salient areas are analyzed based on fast multi-scale image decomposition, IR image can be s enhanced with good contrast successfully and rapidly. Compared with other algorithms, the experimental results prove that the proposed method is robust and efficient for IR image enhancement.     

Chain Conformation and Local Rigidity of Soluble Polyimides(Ⅱ): Isomerized Polyimides in THF

Two soluble isomerized polyimides(PIs)synthesized from 2,2′-bis(3,4-dicarboxyphenyl)hexafluoropropane dianhydride(6FDA)with either 2,2′-dimethylbenzidine(2,2′-DMB)or 3,3′-DMB were investigated by means...     

LOCALLY STABILIZED FINITE ELEMENT METHOD FOR STOKES PROBLEM WITH NONLINEAR SLIP BOUNDARY CONDITIONS

Based on the low-order conforming finite element subspace （Vh, Mh） such as the P1-P0 triangle element or the Q1-P0 quadrilateral element, the locally stabilized finite element method for the Stokes problem with nonlinear slip boundary conditions is investigated in this paper. For this class of nonlinear slip boundary conditions including the subdifferential property, the weak variational formulation associated with the Stokes problem is an variational inequality. Since （Vh, Mh） does not satisfy the discrete inf-sup conditions, a macroelement condition is introduced for constructing the locally stabilized formulation such that the stability of （Vh, Mh） is established. Under these conditions, we obtain the H1 and L2 error estimates for the numerical solutions.     

A generalization of the Erdös-Ko-Rado theorem

In this note, we investigate some properties of local Kneser graphs defined in [János Körner, Concetta Pilotto, Gábor Simonyi, Local chromatic number and sperner capacity, J. Combin. Theory Ser. B 95 (1) (2005) 101-117]. In this regard, as a generalization of the Erdös-Ko-Rado theorem, we characterize the maximum independent sets of local Kneser graphs. Next, we provide an upper bound for their chromatic number.     

Electric-pulse-induced local conducting area and joule heating effect in VO2/Al2O3 films

We investigated the effect of an electric-pulse on the insulator–metal phase transition of VO₂/Al₂O₃ films using synchrotron-based infrared microspectroscopy. By monitoring the time-resolved optical response, we could demonstrate that local conducting areas are formed under the influence of the electric-pulse, and the Joule heat generated from the local current flow drives a consecutive thermal phase transition in the adjacent sample area.