Study on hydrogen atom adsorption and diffusion properties on Mg (0001) surface

Hydrogen atom adsorption and diffusion properties on clean and vacancy defective Mg (0001) surface have been investigated systematically by using a first-principles calculations method based on the density functional theory. The calculation results of adsorption energy and diffusion energy barrier show that hydrogen atom is apt to be adsorbed at fcc and hcp sites on clean Mg (0001) surface, and fcc adsorption site is found to be more preferred. The highest diffusion energy barrier is estimated as 0.6784 eV for the diffusion of hydrogen from clean Mg (0001) surface into its bulk. Surface effects, which affect hydrogen diffusion obviously, results in a slow diffusion velocity of hydrogen from surface to subsurface, while a fast one from subsurface to bulk, indicating the range of surface effects is only restricted within two topmost layers of Mg (0001) surface. Comparatively, Mg atom vacancy on Mg (0001) surface not only enhances the chemisorption interaction between H and Mg surface, but also benefits H atom diffusion in Mg bulk with relatively more diffusion paths compared with that of clean surface. Besides, hydrogen atom is found to occupy mostly the tetrahedral interstice when it diffuses into the Mg bulk. Further analysis of the density of states (DOS) shows that the system for hydrogen atom to be adsorbed at fcc site has a lower DOS value (N (E _F)) at Fermi level and more bonding electrons at the energy range blow the Fermi level of H/Mg (0001) system as compared with that at hcp site. On the other hand, the enhanced chemisorption interaction between hydrogen and defective surface should be attributed to the fact that the electronic structures of Mg (0001) surface are modified by an Mg vacancy, and the bonding electrons of the topmost layer Mg atoms are transferred from low energy range to Fermi level, which is in favor of improving the surface activity of Mg (0001) surface. Supported by the PhD Programs Foundation of Ministry of Education of China (Grant No. 200805321032), the Science and Technology Program Project of Hunan Province (Grant No. 2008GK3083) and the Program for Changjiang Scholars and the Innovative Research Team in university (Grant No. 531105050037)     

Development of a unified viscoplasticity constitutive model based on classical plasticity theory

The traditional unified viscoplasticity constitutive model can be only applied to metal materials. The study of the unified constitutive theory for metal materials has discovered the correlation between the classical plasticity theory and the unified viscoplasticity constitutive model, thus leading to the concepts of the classic plastic potential and yield surface in the unified constitutive model. Moreover, this research has given the continuous expression of the classical plastic multiplier and presented the corresponding constructive method, which extends its physical significance and lays down a good foundation for the application of the unified constitutive theory to the material analysis in more fields. This paper also introduces the unified constitutive model for metal materials and geo-materials. The numerical simulation indicates that the construction should be both reasonable and practical. Supported by the National Natural Science Foundation of China (Grant No. 90410012)     

捕收剂在硫化矿物表面吸附机理的研究进展

综述了药剂与硫化矿表面吸附作用机理的理论研究,总结了现代表面测试技术在硫化矿表面吸附作用机理研究中的应用前景．表面测试技术在选矿中的应用,使矿物与药剂的吸附机理研究更加深入,也促进了浮选理论和工艺技术的持续发展和不断完善．     

表面三维形貌测量及其评定的研究

对表面三维形貌测量技术展开了较为全面的研究,测量过程由相移,采样,相位提取及数据处理等部分组成．整个测量系统采用激光为干涉光源,CCD为图像传感器,压电陶瓷提供微小位移,通过图像采集卡将干涉条纹采集到计算机内存．文中采用上述理论对标准样块进行了测量,计算机得到表面三维形貌图,根据建立的基准面分离出粗糙度信息,并由给出的参数评定数学模型,编制出合理的软件,计算出零件表面的三维参数．最后给出实验结果和分析,并提出下一步研究工作的设想．     

微波辐射改性对废旧胶粉表面性能的影响

采用微波辐射法改性胶粉,用苯乙烯对其进行溶胀,并通过平衡溶胀率、接触角、衰减全反射红外光谱及扫描电镜等研究微波改性对胶粉的交联度、表面润湿性、化学结构、表面形貌等的影响。结果表明,微波法打断了胶粉中部分S—S和C—S键,使得胶粉交联度降低,易于被苯乙烯溶胀;另外,微波辐射使得胶粉表面发生氧化,极性基团增多,因此使胶粉表面亲水性提高。     

纳米聚丙烯酸酯微乳液改性纳米CaCO3研究

分别采用聚丙烯酸酯乳液和纳米级聚丙烯酸酯微乳液对纳米CaCO3进行改性,通过红外光谱分析、热重分析和扫描电镜分析研究改性纳米CaCO3的结构和性能。结果表明,改性后的纳米CaCO3由亲水疏油性变为亲油疏水性,纳米级聚丙烯酸酯微乳液与纳米CaCO3粒子表面发生了化学反应,并包覆到纳米CaCO3粒子表面。     

表面分子印迹材料制备研究进展

表面分子印迹技术是通过把分子识别位点建立在印迹材料的表面,来提高识别位点与印迹分子的结合速度,进一步加强印迹材料吸附分离效率。从无机硅胶材料和聚合物材料两方面综述了表面分子印迹材料制备技术发展现状,着重评述了表面分子印迹聚合物微球的制备方法及相应产品的性能,并指出表面分子印迹技术存在的不足。     

钢板用浅色抗静电涂料的制备

利用饱和聚酯为成膜物质,多异氰酸酯作固化剂,锑掺杂氧化锡包覆的二氧化钛作导电粉体,制备表面电阻为106W彩钢板用抗静电涂料,具有良好的附着力、硬度和耐腐蚀性能。研究了各种因素对涂料性能的影响,确定了最佳配方及合适的工艺流程。     

基于双树复小波的煤矿电网故障选线

从煤矿电网实际条件着手,针对三相电流互感器、两相电流互感器、单相电流互感器以及零序电流互感器4种情况分别展开讨论,分析各线各相电流初始行波,利用双树复小波分解得到模极大值幅值和相位关系,并进行比值计算,构成不同的选线或选相判据。Matlab仿真验证了基于双树复小波的煤矿电网故障选线方法的可靠性。     

氩等离子体处理聚四氟乙烯粘接性能研究

利用氩等离子体表面处理后再经丙烯酸化学接枝处理方法对聚四氟乙烯(PTFE)薄片表面进行改性,发现PTFE对水的润湿性明显改善,然后用环氧胶进行粘接,其粘接强度有较大提高。