Pt(110)表面自吸附原子能量和力的改进分析型嵌入原子法分析

采用改进分析型嵌入原子法计算了Pt(110)表面自吸附原子的能量和法向力.当Pt吸附原子位于Pt(110)表面第一层原子的二重对称洞位上0.11nm时最稳定.Pt吸附原子的最佳迁移路径是由一个二重对称洞位沿密排方向迁移到最近邻的另一个二重对称洞位.在吸附原子远离表面的过程中，将依次经过排斥、过渡和吸引等三个区域.在排斥区和过渡区，由于吸附原子与表面原子间强的相互作用势，吸附原子的能量和法向力的形貌图均为(110)面原子排列的复形，与对势理论和嵌入原子法得到的结果一致.在吸引区，由于多体相互作用及晶体中原子 关键词： 金属表面 自吸附 能量 力     

离子辐照引起的金属／绝缘体界面混合与相变研究

载能离子穿过固体界面引起界面原子迁移使界面原子混合和物质成分变化，从而导致界面发生材料相变。简要介绍了载能离子辐照引起金属／绝缘体界面混合效应及相变现象的主要实验研究进展、低能离子和高能离子辐照引起金属／绝缘体界面现象差异，并对离子辐照引起界面混合及相变的机制进行了初步探讨。When penetrating an interface between two kind of solids, energetic ions can induce atomic diffusion at both sides of the interface and then result in intermixing, atom re-distribution or composition change, as well as phase transformation. Main progress on the study of intermixing and phase change at metal/insulator interface induced by energetic ion irradiations, the difference of phenomena occurred at metal/insulator interfaces induced by high-and low-energy ions were briefly reviewed. Furthermore, the possible mechanisms related to intermixing and phase change at metal/insulator interface produced by energetic ion irradiations were also discussed in short words.     

An existence result for a two‐phase Stefan problem arising in metal casting

We present a model arising from the thermal modelling of two metal casting processes. We consider an enthalpy formulation for this two‐phase Stefan problem in a time varying three‐dimensional domain and consider convective heat transfer in the liquid phase. Then, we introduce a weak formulation in a fixed domain, by means of a suitable transformation. Existence of solution is obtained by applying an abstract theorem. The proof of this theorem is done by taking an implicit discretization in time together with a regularization. By passing to the limit in the regularization parameter and in the time step, we obtain the existence of solution of the continuous problem. Copyright © 2005 John Wiley & Sons, Ltd.     

双面金属包覆介质波导模序数的判别方法

在双面金属包覆介质波导中 ,随着介质层厚度的变化 ,会出现TM0 模与TM1 模的分离和简并两种状态 ,从而影响衰减全反射 (ATR)谱中模序数的确认。通过对金属波导的理论分析和实验研究 ,提出了三种模序数确认方法 :本征角计算法、吸收峰全峰半宽比较法和吸收峰峰间距比较法 ,实现了两种状态下对模序数的准确判断     

Laser vaporization: A versatile method for studying metal clusters

Vaporizing solid samples of metals and semiconductors with a YAG Laser is a method well suited for producing molecules and clusters of those materials. The clusters are examined by either laser-induced fluorescence (LIF) or mass spectroscopic methods. The technique is valuable for both gas phase and matrix studies. The method is described and some applications, studying either the structure of small metal molecules or their reactions, are reviewed, with emphasis on our recent results from the LIF studies of LiBe, Al₂ and the reaction of Al with oxygen, yielding A1₂O. For larger clusters, Ion Cyclotron Resonance is an extremely valuable method, as we demonstrate by its application to the reactions of small charged silicon clusters with strong oxidising agents.     

Photo-Absorption and photochemical decomposition of copper and alkaline-earth ß-diketonates as source gases of high-Tc superconducting films

For low-temperature deposition of oxide films relating to Bi-Sr-Ca-Cu-O superconductors, photo-absorption and -decomposition properties were examined with respect to copper and alkaline-earth ß-diketonates. It was confirmed that all ß-diketonates examined were promising as source materials for photochemical vapour deposition (photo-CVD) using a low-pressure mercury lamp, in view of their large light absorption coefficients at wavelength 254 nm. The light irradiation was effective for the formation of highly crystalline oxide films at temperatures below 600 °C. By combining two sources, Ca₂CuO₃ and SrCuO₂ films were prepared. Photo-CVD of c-axis oriented Bi₂Sr₂CuO_x film was achieved by the irradiation of ternary sources of Bi(C₆H₅)₃ and strontium and copper ß-diketonates at 500 °C.     

The transition of spontaneous polymerization of acrylamide to “explosive” regime

Experimental results related to the transition of spontaneous polymerization of acrylamide complexes with metal nitrates to the “explosive” regime at room temperature are presented. It is suggested that the “explosion” has a thermal nature. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 859–861, April, 1997.     

寡聚乳酸改性葡聚糖的合成及表征

设计了两种基于寡聚L-乳酸(OLL)改性葡聚糖的工艺路线:路线Ⅰ为OLL末端羟基活化后接枝葡聚糖;路线Ⅱ为在亲核试剂及偶合剂的存在下,OLL末端羧基接枝葡聚糖.研究表明,固定OLL与葡聚糖摩尔比,延长反应时间有利于提高路线Ⅰ的产品得率,而对路线Ⅱ中的产品得率几乎没有影响.1HNMR,IR,UV表征改性后产物显示OLL在葡聚糖上的接枝率(葡聚塘的100个葡萄糖单元上OLL的数目)可以通过调节反应物摩尔比得到有效的控制.     

UV curing of a novel resin derived from poly(ethylene terephthalate)

The synthesis and characterization of photopolymerizable unsaturated polyester resins based on PET waste are described. The resins came from a depolymerization process based on the glycolysis of PET by diethylene glycol (DEG). Different molecular weights of glycolysates were synthesized. Then, the latter was functionalized by a methyl hemiester of maleic acid to obtain unsatured α,ω‐bismaleate PET oligomers. In the presence of an electron donor monomer, such as triethylene glycol divinyl ether, these electron acceptor oligomers were copolymerized by way of charge‐transfer complexes under UV irradiation. The reaction was monitored in situ by real‐time IR spectroscopy to study the kinetics of photopolymerization. This one was studied in relation with the physical and chemical characteristics of oligoesters and the composition of mixtures containing divinyl ethers. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 1324–1335, 2007     

Chelate polymers: II. Some novel transition metals complexes with azomethine‐containing siloxanes and their polyesters

New Schiff bases of 2,4‐dihydroxybenzaldehyde with siloxane‐α,ω‐diamines having different numbers of siloxane units in the chain have been synthesized and characterized by spectroscopy, elemental and thermal analyses. These azomethines were found to form complexes readily with copper(II), nickel(II), cobalt(II), cadmium(II) and zinc(II). From IR and UV–Vis studies, the phenolic oxygen and imine nitrogen of the ligand were found to be the coordination sites. Thermogravimetric analysis (TGA) data indicate the chelates to be more stable than the corresponding ligands. The melting points increase with shortening of the siloxane segment from azomethine, as well as the result of complexation. The chelates obtained were covalently inserted in polymeric linear structures by polycondensation through the OH‐difunctionalized ligand with 1,3‐bis(carboxypropyl)tetramethyldisiloxane. Direct polycondensation, assisted either by acetic anhydride or N,N′‐dicyclohexylcarbodiimide as dehydrating agent and the complex 4‐(dimethylamino)pyridinium 4‐toluenesulfonate as catalyst, was used for the synthesis of these compound types. The structures of the polymers obtained were confirmed by IR, UV and ¹H NMR. Characterization was undertaken by TGA, solubility tests and viscosity measurements. Copyright © 2003 John Wiley & Sons, Ltd.