Dislocation decoration and raft formation in irradiated materials

Experimental observations of dislocation decoration with self-interstitial atom (SIA) clusters and of SIA cluster rafts are analysed to establish the mechanisms controlling these phenomena in bcc metals. The elastic interaction between SIA clusters, and between clusters and dislocations is included in kinetic Monte Carlo (KMC) simulations of damage evolution in irradiated bcc metals. The results indicate that SIA clusters, which normally migrate by 1D glide, rotate due to their elastic interactions, and that this rotation is necessary to explain experimentally-observed dislocation decoration and raft formation in neutron-irradiated pure iron. The critical dose for raft formation in iron is shown to depend on the intrinsic glide/rotation characteristics of SIA clusters. The model is compared with experimental observations for the evolution of defect cluster densities (sessile SIA clusters and nano-voids), dislocation decoration characteristics and the conditions for raft formation.     

电控聚合物分散液晶全息透镜及特性研究

报道位相型电控聚合物分散液晶(H-PDLC)全息衍射透镜的研制及特性研究,理论上,根据耦合波理论,研究了不同的相分离程度系数下,理想位相型电控聚合物分散液晶(H-PDLC)全息衍射透镜在可见光波长(400—800nm)的衍射特性.实验研制了衍射效率最高为70%的电控H-PDLC变焦透镜样品,研究表明H-PDLC透镜具有优良的成像特性,和快速响应的电控开关特性,在光学成像系统,光通信系统中具有良好的应用前景.     

具非自治微小扰动的脉冲方程三个古典解的存在性

在半直线无穷区间上,我们研究具有微小非自治扰动项的脉冲方程边值问题的古典解,应用变分方法和相应的临界点理论得到了三个古典解的存在性.     

宽频带光束非线性热像效应的实验研究

实验研究宽频带脉冲光束通过非线性介质时的非线性热像的形成过程,揭示了光束入射功率和脉冲宽度、介质厚度等因素对热像光强和位置的影响. 结果表明,与单纵模激光束一样,在宽频带脉冲光束情形下,非线性介质上游元件的模糊斑调制也可导致在下游共轭位置形成热像. 热像光强随入射光束功率的增加而增加;若脉冲能量一定,则热像光强随脉冲宽度的增加而减弱;若脉冲峰值功率一定,则热像光强随脉冲宽度的增加而增强. 关键词： 高功率激光 热像 宽带光束 小尺度自聚焦     

四氯苯醌与嘧啶类核酸碱基的光化学氢抽取和电子转移反应

采用纳秒时间分辨的激光闪光光解实验技术,研究了四氯苯醌(TCBQ)分子与两种嘧啶核酸碱基(胸腺嘧啶和尿嘧啶)分子在355nm激发下的光化学反应动力学. 355 nm将TCBQ分子布居到激发三重态³TCBQ^*,高反应活性的³TCBQ^*与碱基分子发生两个平行的反应,氢抽取反应和电子转移反应,分别对应生成瞬态光谱上观测到的两个光反应产物TCBQH·和TCBQ·^-. 这两个反应同时生成的碱基自由基和碱基阳     

流体粘度的计算机模拟

对流体粘度的计算机模拟作了简单回顾;并利用非平衡分子动力学方法,将在三相点附近的氩看成具有Lennard-Jones势能函数的球形分子,用自编程序对其进行了计算机模拟。     

用于乙烯环氧化反应的CuCs掺杂银基催化剂设计

最近的理论研究筛选出CuCs掺杂Ag基催化剂是一种高效的乙烯环氧化催化剂[ACS Catal. 11,3371 (2021)]. 然而,该工作是基于研究表面建模预测Ag基催化剂的性能,在实际反应过程中,Ag基催化剂是颗粒状的. 本文结合密度函数理论、Wulff构造理论和微观动力学分析来研究Ag基催化剂在颗粒模型上的催化性能. 研究表明,CuCs掺杂Ag基催化剂在选择性和活性方面都优于纯Ag基催化剂,这一点通过实验得到了证明. 进一步地表征分析发现,CuCs掺杂能促进颗粒的生长以及颗粒的分散,从而形成富含晶界的Ag颗粒. 此外,CuCs促进了催化剂表面亲电氧的形成,这均有利于环氧乙烷的形成和解吸. 本工作为理论与实验相结合的催化剂设计提供了一个案例研究.     

在不同激光脉宽下的高次谐波

用数值计算方法计算了不同强激光脉冲宽度下高次谐波的产生.我们发现对于激光场强度不高,不能有效电离初态的激光场,长脉冲宽度可以更有效产生高次谐波;而对于高场强的激光场,由于它能够在几个光学周期之内把原子的初态全部电离,所以短脉冲的激光场能够更有效产生高次谐波.     

Synthesis of mikto‐topology star polymer containing one cyclic arm

Well‐defined mikto‐topology star polystyrene composed of one cyclic arm and four linear arms was synthesized by a combination of atom transfer radical polymerization (ATRP) and Cu‐catalyzed azide‐alkyne cycloaddition (CuAAC) click reaction. First, the bromine‐alkyne α,ω‐linear polystyrenes containing four hydroxyl groups protected with acetone‐based ketal groups were synthesized by ATRP of styrene using a designed initiator. Then, the bromine end‐group was converted to the azide and the linear polystyrene was cyclized intra‐molecularly by the CuAAC reaction. The four hydroxyl groups were released by deprotection and then esterified with 2‐bromoisobutyryl bromide to produce a cyclic polymer bearing four ATRP initiating units. By subsequent ATRP of styrene to grow linear polymers with the cyclic polystyrene as a macroinitiator, the mikto‐topology star polymers were prepared. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012