Numerical study of charge ordering in NaxCoO2

A simple microscopic model of charge ordering in the Na_xCoO₂ system is presented. The model takes into account the interplane interactions between the ordered Na ions and d electrons from the CoO₂ layers as well as the nearest-neighbor intraplane Coulomb interactions between d electrons. It is shown that a driving force of charge ordering in the CoO₂ layers is the interplane interaction that alone is able to describe various types of inhomogeneous charge ordering (e.g., the striped phases) as well as to predict correctly the conducting properties of the system.     

不同方法制备的CO2-3替换磷灰石固溶体晶体化学的FTIR研究

采用不同方法制备了CO2-3替换的磷灰石固溶体,利用FTIR结合XRD对其进行了晶体化学研究,结果表明均相沉淀法制备的碳羟磷灰石(CHAP)属B型替换且替换方式是[CO3·OH]四面体替换[PO4]四面体;固相离子交换法制备的CHAP属A型替换且替换方式是[CO3]三角形配位体替换通道位置的OH-;固相反应法制备的碳氟磷灰石(CFAP)属B型替换,其替换方式是[CO3·F]四面体替换[PO4]四面体;sol-gel法制备的CHAP属AB混合型替换,其Ψ3分裂为Ψ3-1,Ψ3F,Ψ3-4.高斯函数法拟合表明Ψ3F峰是A型替换的Ψ3-2与B型替换的Ψ3-3的叠合.当WCO2-3＜3.34%时,随CO2-3含量增加,A型替换量增大,且当WCO2-3=3.34%时达最大值,当3.34%＜WCO2-3＜7.52%时,随CO2-3含量增加,B型替换量增大,且当WCO2-3= 7.52%时亦到饱和.     

微型热驱动热声热机热端换热器的优化设计

该文基于热声环境,采用厘米级扁管和deltaE数值计算对微型热声换热器进行了优化设计。     

Structural and lithium intercalation studies of Mn(0.5−x)CaxTi2(PO4)3 phases (0≤x≤0.50)

Materials from the Mn_(0.5−x)Ca_xTi₂(PO₄)₃ (0≤x≤0.50) solid solution were obtained by solid-state reaction in air at 1000 °C. Selected compositions were investigated by powder X-ray diffraction analysis, ³¹P nuclear magnetic resonance (NMR) spectroscopy and electrochemical lithium intercalation. The structure of all samples determined by Rietveld analysis is of the Nasicon type with the R space group. Mn²⁺/Ca²⁺ ions occupy only the M1 sites in the Ti₂(PO₄)₃ framework. The divalent cations are ordered in one of two M1 sites, except for the Mn_0.50Ti₂(PO₄)₃ phase, where a small departure from the ideal order is observed by XRD and ³¹P MAS NMR. The electrochemical behaviour of Mn_0.50Ti₂(PO₄)₃ and Mn_(0.5−x)Ca_xTi₂(PO₄)₃ phases was characterised in Li cells. Two Li ions can be inserted without altering the Ti₂(PO₄)₃ framework. In the 0≤y≤2 range, the OCV curves of Li//Li_yMn_0.50Ti₂(PO₄)₃ cells show two main potential plateaus at 2.90 and 2.50–2.30 V. Comparison between the OCV curves of Li//Li_(1+y)Ti₂(PO₄)₃ and Li//Li_yMn_0.50Ti₂(PO₄)₃ shows that the intercalation occurs first in the unoccupied M1 site of Mn_0.50Ti₂(PO₄)₃ at 2.90 V and then, for compositions y>0.50, at the M2 site (2.50–2.30 V voltage range). The effect of calcium substitution in Mn_0.50Ti₂(PO₄)₃ on the lithium intercalation is also discussed from a structural and kinetic viewpoint. In all systems, the lithium intercalation is associated with a redistribution of the divalent cation over all M1 sites. In the case of Mn_0.50Ti₂(PO₄)₃, the stability of Mn²⁺ either in an octahedral or tetrahedral environment facilitates cationic migration.     

On irreversibility of von Neumann additive cellular automata on grids

The von Neumann cellular automaton appears in many different settings in Operations Research varying from applications in Formal Languages to Biology. One of the major questions related to it is to find a general condition for irreversibility of a class of two-dimensional cellular automata on square grids (σ⁺-automata). This question is partially answered here with the proposal of a sufficient condition for the irreversibility of σ⁺-automata.     

On nearly parallel G2-structures

A nearly parallel G₂-structure on a seven-dimensional Riemannian manifold is equivalent to a spin structure with a Killing spinor. We prove general results about the automorphism group of such structures and we construct new examples. We classify all nearly parallel G₂-manifolds with large symmetry group and in particular all homogeneous nearly parallel G₂-structures.     

橙皮素A的NMR研究

橙皮素A是从中药北沙参(Glehnia littoralis Fr. Schmidt ex Miquel)的正丁醇萃 取物中分离得到的一种8-O-4′-型异木脂素苷类化合物. 通过化学方法和波谱分析鉴 定了该 化合物的结构. 采用2D NMR技术对其NMR信号进行了全归属. DMSO-d₆代替CD₃OD作为溶剂，并利用重水交换，能准确读出偶合常数J_7,8值.      

双电极对双脉冲激光器结构分析

本文对双电极对双脉冲激光器的谐振腔结构进行了分析,结果表明采用双非稳腔和增大反射镜的曲率半径可分别获得单纵模和基横模输出。为使输出能量稳定,则双电极对的间距有一最小值的限制。     

CO-laser photoacoustic detection of phosgene (COCl2)

Detection of COCl₂, a highly toxic gas in chemical industry, using laser photoacoustic spectroscopy is presented. The spectrophone system used has a broad band LN₂ cooled CW CO laser as a source of radiation, which operates from 4.8–8.4 um in the mid-infrared. Using an extracavity open longitudinal resonant cell, absorption signals to about 30 CO laser lines in the 5.45 um region could be observed. detection sensitivity has been estimated to be ppb order.This work has been supported by the NSFC