fcc金属表面能的各向异性分析及表面偏析的预测

本文将元素变量(φ^*和n_WS)和MAEAM相结合,从原子尺度上对10种fcc金属Cu,Ag,Au,Ni,Pd,Pt,Rh,Al,Ir和Pb的38个不同晶面的表面能进行模拟计算及各向异性分析. 结果表明,fcc金属的密排面(111)的表面能最小,则该晶粒取向优先生长,与实验结果和第一原理的LMTO-ASA计算结果一致;各个晶面的表面能均随着其他晶面与(111)晶面的夹角cosθ_(hkl)的增长而呈线性 关键词： FCC金属 MAEAM 表面能 表面偏析     

分区均匀介质静电场的求解

1分区均匀介质静电场求解方法的回顾分区均匀介质静电场的求解是电磁学课程中比较有难度和有特色的内容.有两种情形的分区均匀介质静电场问题可以解析求解:一种是介质-介质界面与撤去电介质时的电场线平行;另一种是介质-介质界面与撤去电介质时的电场线垂直.它是唯一性定理应用的一个生动的实例,并且涉及到静     

古代玻璃样品表面因素对便携式X射线荧光定量分析的影响

便携式X射线荧光光谱分析技术(PXRF)是一种表面分析技术,样品表面状况对定量分析结果有很大的影响.本文采用PXRF对新疆、广西、江苏等地出土的Na2O-CaO-SiO2,K2O-SiO2和PbO-BaO-SiO2体系古代玻璃的风化表面与内部进行了定量分析,指出了主要助熔剂的含量在不同部位的变化.另外,还研究了样品与参...     

双参数分岔平面内胰腺β细胞的簇放电分析

胰岛分泌胰岛素的放电活动以动作电位的簇放电为主要特点.文章考虑具有代表性且较为简单的Vries-Sherman模型,通过其快子系统的双参数分岔分析确定了双参数平面内不同簇放电类型的存在区域,并应用快慢动力学分析研究了参数v_m取不同值时所产生的簇放电模式的拓扑类型以及它们之间相互转迁的动力学机理. 关键词： 簇放电 快慢动力学 余维-2分岔     

Studies on the Element Characteristics of Nephrite Minerals from Different Deposits by GD‐MS

Element characteristics of nephrite minerals were determined by glow discharge mass spectrometry (GD‐MS) through surface adherence method. To solve the conductivity problem of non‐conductive nephrite samples, high purity indium pin (>99.9999%) was used as discharge host. During the preparation procedure, a small piece of nephrite sample was ground into powder (about 200 meshes), and then the sample powder was coated on the surface of indium pin to form a rod sample. Typical elements of nephrite minerals were analyzed by GD‐MS, and the relative standard deviations showed that the stability and reproducibility of this method were good. Meanwhile, four nephrite samples from two different deposits were further studied by this method. The GD‐MS results of major elements and trace elements revealed that typical elements of the nephrite minerals from same deposit were similar, and those from different deposits exhibited significant difference. In addition, results of external‐beam proton induced X‐ray emission (PIXE) were consistent with the result of GD‐MS determination. The present approach had been proven to be simple, efficient to perform the rapid screening and multi‐element semi‐quantitative analysis of nephrite samples.     

Synthesis of decahydropyrrolo[2,1,5-cd]indolizine through consecutive [2 + 3] cycloadditions and 6-exo-trig cyclization

Azomethine ylide formed from glycine methyl ester and cinnamaldehyde adds to N-phenylmaleimide to form pyrrolidine derivative, further treatment of which with cinnamaldehyde and N-phenylmaleimide affords the second [2 + 3] cycloaddition adduct, a pyrrolizine derivative with two styrenyl groups at the 3,5-positions. Addition of ICl to the pyrrolizine derivative results in the 6-exo-trig cyclization of the styrenyl groups to form a cycl[3.2.2]azine derivative. The reactions are highly stereoselective affording 11 chiral carbons in three steps. The structure of the cycl[3.2.2]azine derivative was determined by single-crystal X-ray analysis.     

Electrochemical sensors based on graphene materials

Single?Clayered graphene, emerging as a true two?Cdimensional nanomaterial, has tremendous potential for electrochemical catalysis and biosensing as a novel electrode material. Considering the excellent properties of graphene, such as large surface?Cto?Cvolume ratio, high conductivity and electron mobility at room temperature, low energy dynamics of electrons with atomic thickness, robust mechanical and flexibility, we give a general view of recent advances in electrochemical sensors based on graphene. We are highlighting here important applications of graphene and graphene nanocomposites, and the assay strategies in electrochemical sensors for DNA, proteins, neurotransmitters, phytohormones, pollutants, metal ions, gases, hydrogen peroxide, and in medical, enzymatic and immunosensors.

A facile and efficient synthesis of fully substituted pyridin-2(1H)-ones from α-oxoketene-S,S-acetals

A facile and efficient synthesis of fully substituted pyridin-2(1H)-ones has been developed by the reaction of readily available α-oxoketene-S,S-acetals with malononitrile in the presence of sodium methoxide in methanol under reflux.     

A scalable microfluidic chip for bacterial suspension culture

Microfluidic systems could, in principle, enable high-throughput breeding and screening of microbial strains for industrial applications, but parallel and scalable culture and detection chips are needed before complete microbial selection systems can be integrated and tested. Here we demonstrate a scalable multi-channel chip that is capable of bacterial suspension culture. The key invention is a multi-layered chip design, which enables a single set of control channels to function as serial peristaltic pumps to drive parallel culture chamber loops. Such design leads to scalability of the culture chip. We demonstrate that E. coli growth in the chip is equivalent or superior to conventional suspension culture on shaking beds. The chip could also be used for suspension culture of other microbes such as Bacillus subtilis, Pseudomonas stutzeri, and Zymomonas mobilis, indicating its general applicability for bacterial suspension culture.     

Luminescent organic–inorganic hybrid materials based on lanthanide containing ionic liquids and sylilated β-diketone

In this work, we report the luminescent organic–inorganic hybrid materials prepared by hydrolysis and condensation of sylilated β-diketone under acid conditions in the presence of carboxyl-functionalized ionic liquid in which Eu³⁺ ions are coordinated to the oxygen atoms of carboxylate groups from the ionic liquids. The obtained materials were characterized with FT-IR, TG and photoluminescence spectroscopy. FT-IR spectra imply that Eu³⁺ ions are still coordinated to the ionic liquid in the hybrid materials. Excitation and emission spectra demonstrate that the energy transfer occurs from the β-diketone molecules covalently bonded with silica to Eu³⁺ ions. The Eu³⁺ (⁵D₀) quantum efficiency value of the hybrid materials has been estimated based on the emission spectrum and the value of lifetime. A large value of ratio (16.44) between the intensities of the ⁵D₀→⁷F₂ and ⁵D₀→⁷F₁ transition and high value of ⁵D₀ quantum efficiency (51.01%) are obtained.