机械合金化法掺杂镍的碳质中间相结构及其高温摩擦磨损特性研究

采用机械合金化法在煤焦油沥青碳质中间相中掺杂元素镍,借助X射线衍射仪和激光Raman光谱仪研究了掺杂元素前后中间相的结构变化,利用SRV高温摩擦磨损试验机考察了机械合金化法掺杂元素镍的碳质中间相作为润滑油添加剂的高温摩擦磨损性能.结果表明:机械合金化掺杂元素镍后,中间相的结晶有序度下降、微晶石墨平面尺寸减小,表明机械合金化掺杂镍促使中间相向无定形结构转变;碳质中间相作为添加剂具有高温减摩抗磨效应,与原始态或高能球磨处理的碳质中间相相比,采用掺杂镍的碳质中间相作为添加剂时,其高温减摩抗磨效应更为明显且持续时间更长;碳质中间相的高温减摩抗磨效应与高温摩擦机械作用诱发的平面石墨微晶尺寸增加幅度有关.     

CoOOH Nanosheets with High Mass Activity for Water Oxidation

Endowing transition‐metal oxide electrocatalysts with high water oxidation activity is greatly desired for production of clean and sustainable chemical fuels. Here, we present an atomically thin cobalt oxyhydroxide (γ‐CoOOH) nanosheet as an efficient electrocatalyst for water oxidation. The 1.4 nm thick γ‐CoOOH nanosheet electrocatalyst can effectively oxidize water with extraordinarily large mass activities of 66.6 A g^?1, 20 times higher than that of γ‐CoOOH bulk and 2.4 times higher than that of the benchmarking IrO₂ electrocatalyst. Experimental characterizations and first‐principles calculations provide solid evidence to the half‐metallic nature of the as‐prepared nanosheets with local structure distortion of the surface CoO_6?x octahedron. This greatly enhances the electrophilicity of H₂O and facilitates the interfacial electron transfer between Co ions and adsorbed ‐OOH species to form O₂, resulting in the high electrocatalytic activity of layered CoOOH for water oxidation.     

Thermodynamical properties of Zr-based bulk metallic glasses

The temperature dependence of Gibb's free energy difference (ΔG), entropy difference (ΔS) and enthalpy difference (ΔH) between the undercooled melt and the corresponding equilibrium solid phases of bulk metallic glass (BMG) forming melts has been proved to be very useful in the study of their thermodynamical behavior. The present study is made by calculating ΔG, ΔS and ΔH in the entire temperature range T_m (melting temperature) to T_g (glass transition temperature) for three Zr-based samples of BMGs: Zr₅₇Cu_15.4Ni_12.6Al₁₀Nb₅, Zr_41.2Ti_13.8Ni₁₀Cu_12.5Be_22.5 and Zr_58.5Cu_15.6Ni_12.8Al_10.3Nb_2.8. The study is made on the basis of Taylor's series expansion and a comparative study is also performed between the present result and the result obtained in the framework of expansions proposed by earlier workers, and also with the experimental results. An attempt has also been made to study the glass forming ability for BMGs.     

等离子体填充金属光子晶体慢波结构色散特性研究

等离子体填充慢波器件为高效率、高功率真空电子微波源的发展提供了新的途径, 但其仿真和理论都具有一定的难度. 本文将通过轮辐天线加载激励信号的方法引入到等离子体填充金属光子晶体慢波结构(SWS)的色散特性仿真分析中, 研究了慢波结构参数和等离子体密度对等离子体填充慢波结构色散特性的影响. 结果表明, 无等离子体填充时, 通过轮辐天线加载激励信号方式得到的色散特性与其他方法差别不大; 与已有结果对比表明, 该方法适用于等离子体填充慢波结构的分析. 为了减小轮辐天线对腔体谐振频率的影响, 需要适当减薄轮辐天线的厚度, 并尽可能缩短其与反射面之间的距离. 天线的厚度越大越能激励慢波场, 越小谐振模式越容易被激励; 慢波结构周期膜片外半径和厚度对色散特性影响不大, 周期长度和膜片内半径对色散特性影响较大; 频率和相速色散曲线随等离子体密度上升而整体向高频区移动; 等离子体填充对低频模点的影响要大于对高频模点的影响; 对于慢波器件, 需要选择高频模点工作模式, 以减少腔的尺寸并降低电子注的初速度.     

5d过渡金属氧化物中的奇异量子物性研究

相比于3d和4d过渡金属元素, 5d过渡金属元素既具有很强的自旋轨道耦合相互作用, 同时它们的电子关联作用也不可忽略. 因而5d过渡金属氧化物体系具有许多奇异的量子特性. 这篇综述主要介绍我们在5d过渡金属氧化物中的一些理论进展. 首先介绍烧绿石结构铱氧化物(A₂Ir₂O₇, A=Y或稀土元素)中的Weyl拓扑半金属性. 我们确定出A₂Ir₂O₇这一类具有阻挫结构材料的磁基态, 并预言其是Weyl半金属; 其Weyl 点受到拓扑保护而稳定, 而且它的表面态在费米能级形成特别的费米弧. 其次预言尖晶石结构锇氧化物(AOs₂O₄, A=Ca, Sr)是具有奇异磁电响应的Axion绝缘体; 然后分析了电子关联、自旋轨道耦合对钙钛矿结构的锇氧化物(NaOsO₃)的影响, 并成功定出它的基态磁构型, 最终确定其为Slater绝缘体. 最后介绍了LiOsO₃中铁电金属性的成因.     

Microstructural study of Ti-Rich alloys formed by ion beam mixing of the Fe-Ti system

Abstract

An ion beam mixing experiment of the Fe-Ti system has been performed at 320 K. The Fe _x Ti_100-x phases formed as a function of composition have been studied by transmission electron microscopy within the range 0≤x≤45. The formation of β-Ti(Fe) and FeTi phases is shown for x≥20, β-Ti(Fe), crystalline FeTi and glass for 20<x<35. In every case the amount of the equilibrium FeTi compound is small. For x≥35 a single amorphous state is obtained.     

尖头弹穿甲韧性金属靶模型分析

基于延性扩孔模式,分析了尖头弹穿甲韧性金属靶的Chen-and-Li模型和Forrestal-and-Warren模 型。结果表明,2种模型形式相同但适用范围不同,差异源于分别应用球形和柱形动态空腔膨胀理论。将2 种模型与相关尖头弹穿甲金属靶的实验数据做了比较,对应于尖头刚性弹对韧性金属靶的延性扩孔穿甲,理 论分析与实验结果吻合。     

二氧化钛纳米管/镍复合材料的可控制备及其微波电磁性能

二氧化钛纳米管可作为载体,经过磁性金属修饰,制备陶瓷基金属纳米复合材料.本文利用二氧化钛纳米管为载体,经过硅烷化改性,钯催化沉积金属镍,制备一种陶瓷基/镍纳米复合材料,并利用TEM,XRD,FTIR和XPS等方法表征该复合材料的结构特征.结果表明二氧化钛纳米管表面镍沉积均匀,镍晶粒度尺寸为9.7nm,具有衍射宽化特征.沉积镍后,纳米管端部呈开口特征,仍具有空腔结构.在外加电磁场作用下(8～12GHz),复合材料具有较高的磁导率和磁损耗,但具有很低的介电损耗.该复合材料具有长径比高、比重小、重量轻、镍含量少等特点.人们还可在二氧化钛纳米管外部沉积其他金属或合金(如铁、钴),调控复合材料的电磁性能,用于开发薄而轻的电磁活性复合材料.     

First principle study of a bimolecular thin film on Ag(1 1 1) surface

The formation of melamine–PTCDI bimolecular networks deposited on Ag(1 1 1) is studied by means of first principle calculations. Emphasis is placed on the interplay of the inter-molecular hydrogen bonds and the molecule–substrate contacts. Our simulations show rather strong distortions of the adsorbed molecules near the contact points due to the influence the hydrogen bonds. Despite this, the charge transfer from the substrate to a PTCDI molecule remains almost the same (0.9 e⁻) as obtained for an isolated PTCDI molecule. A detailed analysis of the topological features of the electronic density reveals that the charge transfer modifies the two types of hydrogen bonds in opposite ways, weakening the central bond and strengthening the two lateral ones, while roughly keeping a constant binding energy. Altogether, the influence of the substrate on the molecular network is proved to be weak.     

金属颗粒复合膜的非线性响应特征

通过利用介电常数为εｍ的主体介质中悬浮着由金属核与非线性电介壳层组成的球状颗粒的模型，具体研究了Ａｕ、Ａｇ、Ｃｕ三种金属颗粒复合膜的非线性光学响应特征．在表面胞质团共振附近，光学非线性增强．通过改变复合膜的结构参数，得到非线性的最优结构复合膜．