密度泛函方法探究羧基化碳纳米管的结构

采用密度泛函方法,构建了物理及化学吸附的羧基化碳纳米管,并优化一系列可能的构型,最终得到两种处理方式下的最稳定构型,对比及分析了构型的结构参数和电子分布。结果表明,羧基在碳纳米管表明发生物理吸附和化学吸附,将导致不同的杂化方式;当羧基以物理吸附的方式吸附在碳纳米管上时,其负电荷主要云集于羧基和吸附碳表面;当其以化学吸附的形式吸附在碳纳米管表面时,其负电荷则分散于碳纳米管表面以及吸附碳上。     

PROGRESS IN THREE-DIMENSIONALLY ORDERED SELF-ASSEMBLY OF COLLOIDAL SiO2 PARTICLES

Three-dimensionally ordered self-assembly of monodispersed colloidal SiO2 particles involving a structure with periodic alternation of refractive indices represents an advanced field of particuology, colloidal chemistry, materials science, optical physics and information science. Study on such self-assembly not only lays the foundation for the development of advanced functional materials, but also is significant in understanding the principles of nano- and micro-scele processes. Recent progress in three-dimensionally ordered self-assembly of colloidal SiO2 particles is reviewedinclusive of the authors‘‘ investigations.     

NUMERICAL SIMULATION WITH A COMPREHENSIVE CHEMICAL TRANSPORT MODEL OF NITRATE, SULFATE, AND AMMONIUM AEROSOL DISTRIBUTIONS OVER EAST ASIA

The transport and chemical production processes of nitrate, sulfate, and ammonium aerosols over East Asia were investigated by use of the Models-3 Community Multi-scale Air Quality （CMAQ） modeling system coupled with the Regional Atmospheric Modeling System （RAMS）. For the evaluation of the model＇s ability in depicting their 3-dimensional concentration distributions and temporal variations, modeled concentrations of nitrate, sulfate, and ammonium aerosols are compared with the observations obtained at a ground station in Japan in March 2001 and onboard of an aircraft DC-8 on 18 and 21 March 2001 during the Transport and Chemical Evolution over the Pacific （TRACE-P） field campaign. Comparison shows that simulated values of nitrate, sulfate, and ammonium aerosols are generally in good agreement with their observed data, and the model captures most important observed features, and reproduces temporal and spatial variations of nitrate, sulfate, and ammonium aerosol concentrations reasonably well, e.g., the timing and locations of the concentration spikes of nitrate, sulfate, and ammonium aerosols are well reproduced, but large discrepancies between observed and simulated values are also clearly seen at some points and some times due to the coarse grid resolution and uncertainties of the emissions used in this study. This comparison results indicate that CMAQ is able to simulate the distributions of nitrate, sulfate, and ammonium aerosols and their related species in the troposphere over East Asia reasonably well.     

无机类富勒烯过渡金属硫化物纳米材料的合成及其摩擦学应用研究进展

评述了无机类富勒烯（IF）与过渡金属硫化物（WS2和MoS2等）纳米材料的合成技术及其摩擦学应用研究的最新进展，外型为球形或近似于球形并具有嵌套中空结构的IF－WS2和IF－MoS2纳米果粒具有潜在的摩擦学应用前景；对含有IF－WS2纳米颗粒的复合材料和Ni-P复合镀层的研究表明，其比含有石墨和层状2H－WS2粉末的固体润滑剂具有更优异的摩擦学性能。     

SPATIAL AND SEASONAL DISTRIBUTIONS OF ATMOSPHERIC CARBONACEOUS AEROSOLS IN PEARL RIVER DELTA REGION, CHINA

Concentrations and spatial distributions of organic carbon (OC) and elemental carbon (EC) in atmospheric particles were measured at 8 sites in four cities (Hong Kong, Guangzhou, Shenzhen and Zhuhai) of Pearl River Delta Region (PRDR), China during 2001 winter period and 2002 summer period. PM2.5 (particie diameter smaller than 2.5 um) and PM10 (particie diameter smaller than 10 um) samples were collected on pre-fired quartz filters with mini-volume samplers and analyzed using thermal optical reflectance (TOR) method. The average PM2.5and PM10 Ievel were 60.1 and 93.1 μg·m-3, respectively, with PM2.5 constituting 65.3% of the PM10 mass. The average OC and EC concentrations in PM2.5 were 12.0 and 5.1 μg·m-3, respectively, while those in PM10 were 16.0 and 6.5 μg·m-3, respectively. The carbo-naceous aerosol accounted for 37.2% of the PM2.5 and 32.8% of the PM10. The highest concentrations of OC and EC were observed at Guangzhou city in both vvinter and summer seasons. The average OC/EC ratios were 2.     

沉淀对A1-Cu—Mg合金中锯齿形屈服现象影响及其微观实验研究

经固溶处理的A1-Cu—Mg合金在常应变率拉伸实验中具有显著的锯齿形屈服现象，且屈服行为随固溶处理温度的改变而呈现不同的特征。塑性变形特性与合金材料的微细观结构，尤其是位错运动的演化密切相关。本文运用透射电子显微镜，研究在不同温度下固溶处理的Al—Cu—Mg合金的微观结构，尤其是析出颗粒的大小和含量。并结合宏观的拉伸实验结果，分析Al—Cu—Mg合金动态应变时效的机制。     

碳包覆铁纳米颗粒的气相爆轰合成北大核心CSCD

以粉末状与气态二茂铁为原料,以氢气和氧气混合气体为爆轰能源,采用气相爆轰法进行了合成碳包覆铁纳米颗粒实验。XRD和TEM实验结果表明,采用两种不同状态的二茂铁,均得到了纳米碳包覆铁颗粒。该包覆颗粒的组成核为铁或铁碳化合物,外层壳主要由石墨碳组成,大部分球形纳米颗粒尺寸分布于5-30 nm之间。通过对比发现,采用气态二茂铁爆轰时,所得到的碳包铁粒度分布较为集中,壳层厚度比较均匀,且粒子具有较好的球形状。最后结合铁碳合金相图,从热处理角度对气相爆轰合成碳包覆铁纳米颗粒的机理进行了分析,得出产物中α-Fe与Fe_3C的形成过程。分析了碳包覆铁纳米颗粒的磁滞回线,其表现出硬磁性与顺磁性双重性质。     

PARTICLE PROPERTIES—PROMISE AND NEGLECT

We see two major trends in Particle Technology. First, the focus is shifted from unit operations towards functional products, i.e. towards product engineering. Second, modeling will become more and more important. Processes cannot yet be designed from basic molecular understanding. Nanotechnology, however, begins to bridge this gap between molecules and particles and may thus open new ways not only for the production and handling of particulate matter but also for the engineered design of advanced material properties. Starting from the concept of product engineering we investigate the basic preconditions for tailoring nanoparticulate properties, i.e. the control of the particle interactions. Nanotechnology can only be transferred to industrial production if the interactions are effectively controlled. Material and particle properties are essential for predictive models. Although strong tools like MD, DEM or population balance models are available, these models are only predictive if realistic material and particle properties are available which is often not the case. We show for selected examples how particle properties can be obtained by studying the physically relevant elementary processes. The impact breakage behavior of many different materials is described by a master curve. Particle adhesion can be modeled if the roughness of particle and substrate and the Hamaker constant are known. The latter is obtained from adsorption studies.     

The effects of relative density of metal foams on the stresses and deformation of beam under bending

The exact analytic solution of the pure bending beam of metallic foams is given. The effects of relative density of the material on stresses and deformation are revealed with the Triantafillou and Gibson constitutive law (TG model) taken as the analysis basis. Several examples for individual foams are discussed, showing the importance of compressibility of the cellular materials. One of the objects of this study is to generalize Hill’s solution for incompressible plasticity to the case of compressible plasticity, and a kinematics parameter is brought into the analysis so that the velocity field can be determined. The English text was polished by Yunming Chen.