S-M(M=Al,Co)复合掺杂LiMn2O4的结构稳定性

应用量子化学电荷自洽离散变分Xα(SCC-DV-Xα)方法,研究了S-Al、S-Co复合掺杂增强尖晶石结构锂锰氧化物稳定性的作用机制.计算结果表明,S-Al复合掺杂锂锰尖晶石和S-Co复合掺杂锂锰尖晶石中的共价键强度均比未掺杂尖晶石LiMn2O4中的强,且与MnO2中的共价键强度相近;S-Al,S-Co复合掺杂尖晶石中Mn的电荷也与MnO2模型Mn6O2628-中十分接近.Mn原子的电荷密度次序是MnO2≈掺硫铝后锰锂尖晶石≈掺硫钴后的锂锰尖晶石<锰锂尖晶石.即LixMn3Co3O20S6n-和LixMn3Al3O20S6n-中Mn的状态与MnO2中的Mn相似.上述结果揭示了S和非Jahn-Teller效应阳离子(Al3 ,Co3 )复合掺杂尖晶石结构锂锰氧化物在电化学过程中不会发生Jahn-Teller畸变的内在原因.     

Hidden Convex Minimization

A class of nonconvex minimization problems can be classified as hidden convex minimization problems. A nonconvex minimization problem is called a hidden convex minimization problem if there exists an equivalent transformation such that the equivalent transformation of it is a convex minimization problem. Sufficient conditions that are independent of transformations are derived in this paper for identifying such a class of seemingly nonconvex minimization problems that are equivalent to convex minimization problems. Thus, a global optimality can be achieved for this class of hidden convex optimization problems by using local search methods. The results presented in this paper extend the reach of convex minimization by identifying its equivalent with a nonconvex representation.     

Detecting dark energy in long baseline neutrino oscillations

In this paper, we discuss a possibility of studying properties of dark energy in long baseline neutrino oscillation experiments. We consider two types of models of neutrino dark energy. For one type of models the scalar field is taken to be quintessence-like and for the other phantom-like. In these models the scalar fields couple to the neutrinos to give rise to spatially varying neutrino masses. We will show that the two types of models predict different behaviors of the spatial variation of the neutrino masses inside the Earth and consequently result in different signals in long baseline neutrino oscillation experiments.     

过渡金属Fe与四硫富瓦烯四硫醇盐导电性配位高分子化合物的合成、表征及性能测定

在绝对乙醇介质中制备出以Fe3 为中心金属离子、有机小分子四硫富瓦烯四硫醇盐ttftt4-作为配体、过渡金属或稀土离子作为抗衡阳离子的导电性配位高分子化合物。化合物的组成为 [(Fe ttftt)Mx] n(M =Co、Ni、Cu、Hg ;x =1.2、0 .5、0 .7、0 .9)及 [(Fe ttftt)Lny] n(Ln =Nd ,y =0 .3;Ln =Sm、Eu、Tb ,y =0 .4 )。它们均为能够在空气中稳定存在且难溶的无定形粉末状固体。用元素分析、红外光谱、热分析和穆斯堡尔谱对化合物的性质进行了研究 ,并在室温下用双极压片法测定了该类化合物的粉末电导率。实验结果表明 ,抗衡阳离子的性质对以铁作为中心金属离子的聚合物的粉末电导率有着重要的影响 ,而且抗衡阳离子主要是通过影响聚合物链的结构对称性来影响其导电性能     

\epsilon -Henig proper efficiency of set-valued optimization problems in real ordered linear spaces

The aim of this paper is to investigate \(\epsilon \) -Henig proper efficiency of set-valued optimization problems in linear spaces. Firstly, a new notion of \(\epsilon \) -Henig properly efficient point is introduced in linear spaces. Secondly, scalarization theorems of set-valued optimization problems are established in the sense of \(\epsilon \) -Henig proper efficiency. Finally, under the assumption of generalized cone subconvexlikeness, Lagrange multiplier theorems are obtained. Our results generalize some known results in the literature from topological spaces to linear spaces.     

Solubility of 1-(3-Bromopropoxy)-4-Chlorobenzene in Aqueous Ethanol Mixtures From (273.15 to 303.15) K

1-(3-Bromopropoxy)-4-chlorobenzene is an important intermediate for the manufacture of omoconazole nitrate. The solubilities of 1-(3-bromopropoxy)-4-chlorobenzene in aqueous ethanol solutions were measured within the temperature range of (273.15–303.15) K using a laser monitoring system. For the temperature range investigated, the solubilities of 1-(3-bromopropoxy)-4-chlorobenzene in the aqueous ethanol mixtures increase with increasing temperature. The solubility data were regressed by the Buchowski–Ksiazaczak λh and the modified Apelblat models. The modified Apelblat equation and the Buchowski–Ksiazaczak λh equation provided accurate mathematical representations of the experimental results. The calculated solubilities showed good agreement with the experimental data. The root-mean-square deviations of the modified Apelblat model were lower than those of the Buchowski–Ksiazaczak λh model. This study provided valuable data for the purification of 1-(3-bromopropoxy)-4-chlorobenzene by crystallization.     

Muon Anomalous Magnetic Moment in the Supersymmetric Models with and Without Right—Handed Neutrinos

We discuss the anomalous magnetic moment of muon in the minimal supersymmetric model with and without right-handed neutrinos.In the same framework,the decay width of τ→μγ is also evaluated.Considering the measured g-2 value of muon in the E821 experiment and other experimental constraints on the lepton-flavor-violation processes,we carry out numerical analysis on the concerned observables in the minimal supergravity scenario.     

碳纳米管负载纳米TiO2复合材料的制备及其性能

采用溶胶-凝胶法, 以钛酸丁酯为原料, 将纳米TiO2负载在碳纳米管(CNTs)表面, 制备了CNT-TiO2光催化复合材料. 通过X射线衍射(XRD)、透射电子显微镜(TEM)等手段研究了复合颗粒的形态结构及包覆情况, 通过UV-Vis漫反射谱分析比较了纯TiO2和CNT-TiO2的吸光性能, 并研究了不同温度热处理的CNT-TiO2光催化剂在紫外光照射下对甲基橙光催化降解的性能. 结果表明, 纳米TiO2颗粒以锐钛矿相存在, 紧密地包附在碳纳米管的管壁上, CNT-TiO2在紫外-可见光波长范围内均有较好的吸光性能, 450 ℃热处理后的复合光催化剂CNT-TiO2比纯TiO2对甲基橙光降解有更高的光催化活性.     

Synthesis and crystal structure of two coordination polymers based on N,N′-bis(3-pyridylmethyl)pyromellitic diimide and fluorescence thiocyanate sensing

Transition Metal Chemistry - Two N,N′-bis(3-pyridylmethyl)pyromellitic diimide (3-pmpmd) coordination polymers, namely{[Hg(3-pmpmd)I2]·H2O)}n (1), {[Ni2(3-pmpmd)3 (NO3)4]·2CH3OH}n...     

Simulating train movement in an urban railway based on an improved car-following model

Based on the optimal velocity car-following model, in this paper, we propose an improved model for simulating train movement in an urban railway in which the regenerative energy of a train is considered. Here a new additional term is introduced into a traditional car-following model. Our aim is to analyze and discuss the dynamic characteristics of the train movement when the regenerative energy is utilized by the electric locomotive. The simulation results indicate that the improved car-following model is suitable for simulating the train movement. Further, some qualitative relationships between regenerative energy and dynamic characteristics of a train are investigated, such as the measurement data of regenerative energy presents a power-law distribution. Our results are useful for optimizing the design and plan of urban railway systems.