Wei CHEN
,
Zhaojun LIN
,
Zhanguo WANG
,
Yan XU and Lanying LIN (Lab. of Semicond. Mater. Sci.
,
Institute of Semiconductors
,
Chinese Academy of Sciences
,
Beijing 100083
,
China )
材料科学技术（英文）
CdS nanoparticles were prepared in air and their stability by air annealing was studied. A small change in crystal structure and particle size was observed by air annealing, but a rapid reduction in fluorescence was found. Through investigation, it is revealed that it is the surface change or reconstruction rather than the variation of the size or structure that decreases the fluorescence.The emission of the particles consists with two peaks which are dependent on the excitation energy. The two peaks are considered to be arisen from "two" different sizes of nanoparticles and may be explained in terms of selectively excited photoluminescence. Finally we discuss why the discrete state of nanoparticles are able to be resolved in the photoluminescence excitation spectrum, but could not be differentiated in the absorption spectrum.
关键词:
We CHEN
,
Zhanguo WANG
,
Zhaojun LIN
,
Yan XU and Lanying LIN(Lab. of Semiconductor Materials Sciences
,
Institute of Semiconductors
,
Chinese Academy of Sciences
,
Beijing 100083
,
China)
材料科学技术（英文）
Two obvious emissions are observed from the ZnS clusters encapsulated in zeolite-Y. The emissionaround 355 nm is sharp and weak, locating at the onset of the absorption edge. The bandaround 535 nm is broad. Strong and Stokes-shifted. Both the two emissions shift to blue andtheir intensities firstly increase then decrease as the loading of ZnS in zeolite-Y or clusters sizedecreases. Through investigation, the former is attributed to the excitonic fluorescence, andthe latter to the trapped luminescence from surface States. The cluster size-dependence of theluminescence may be explained qualitatively by considering both the carrier recombination andthe nonradiative recombination rates. Four peaks appearing in the excitation spectra are assignedto the transitions of 1S-1S, 1S-1P, 1S-1D and sudsce state, respectively. The excitation spectraof the clusters do not coincide with their absorption spectra. The states splitted by quantum-sizeconfinement are detected in the excitation spectra, but could not be differentiated in the opticalabsorption spectra due to inhomogeneous broadening. The size-dependence of the excitationspectra is similar to that of the absorption spectra. Both the excitation spectra of excitonicand of trapped emissions are similar, but change in relative intensity and shift in position areobserved.
关键词:
Zhaojun LIN
,
Zhanguo WANG
,
Wei CHEN and Lanying LIN(Lab. of Sendconductor Materials Science
,
Institute of Semiconductors
,
Chinese Academy of Sciences
,
Beijing 100083
,
China)
材料科学技术（英文）
Samples have been prepared at different temperatures by loading I2 molecules into the cages of zeolite 5A, and the measurements of the absorption spectra have been carried out for the prepared samples. It is shown that I2 molecular clusters are formed in the cages of zeolite 5A,and it is also found that moIecuIar clusters which are bonded with intermoIecuIar forces have an important feature, namely, the intermolecular distance in molecular clusters can be changed on different preparing conditions and the blue shift of absorption edges can not be as the criterion of forming molecular clusters.
关键词:
Journal of Materials Research
The morphology of the dark and bright regions observed by transmission electron microscopy for the Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass strongly depends on the ion beam parameters used for ion milling. This indicates that the ion beam could introduce surface fluctuation to metallic glasses during ion milling.
关键词:
room-temperature
材料科学技术（英文）
The effect of interstitial hydrogen on the cohesion of the Al Sigma=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.
关键词:
hydrogen;grain boundary;Al-Mg alloys;pseudopotentials;1st-principles
Xiaoguang LIU
,
Xiaowei WANG
材料科学技术（英文）
The effect of interstitial hydrogen on the cohesion of the Al ∑=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.
关键词:
Hydrogen
,
null
,
null
Physical Review B
By use of the linear-combination-of-atomic-orbital (LCAO) method for a cluster model, we studied the electronic structure of gamma-from Sigma 11 [1 (1) over bar0](11 (3) over bar) grain boundary doping with N and Mn atoms. The effect of the segregation on the cohesion of the grain boundary is investigated based on the Rice-Wang thermodynamic model. It is found that N could not only largely enhance the cohesion of the grain boundary but also eliminate the detrimental effect of Mn. The cosegregation effect of Mn and N on the cohesion of the grain boundary depends on where they segregate. Nitrogen could be reliably used in alloyed steels as an efficient strengthening element.
关键词:
electronic-structure;phosphorus segregation;stainless-steel;embrittlement;austenite;nitrogen;boron;impurities;fracture;metals
Journal of Physics and Chemistry of Solids
The layered ternary ceramics Ti3SiC2 and Ti3AlC2 are isostructural and can form Ti3Si1-xAlxC2 solid solutions combining the advanced properties of both compounds [H.B. Zhang, Y.C. Zhou, Y.W. Bao, M.S. Li, Improving the oxidation resistance of Ti3SiC2 by forming a Ti3Si0.90Al0.1C2 solid solution, Acta Mater. 52 (2004) 3631-3637; E.D. Wu, J.Y. Wang, H.B. Zhang, Y.C. Zhou, K. Sun, Y.J. Xue, Neutron diffraction studies of Ti3Si0.9Al0.1C2 compound, Mater. Lett. 59 (2005) 2715-2719; J.Y. Wang, Y.C. Zhou, First-principles study of equilibrium properties and electronic structure of Ti3Si0.75Al0.25C2 solid solution, J. Phys.: Condens. Matter 15 (2003) 5959-5968; Y.C. Zhou, J.X. Chen, J.Y. Wang, Strengthening of Ti3AlC2 by incorporation of Si to form Ti3Al1-xSixC2 solid solutions, Acta. Mater. 54 (2006) 1317-1322]. In the present work, the solid solutions of Ti3Si1-xAlxC2 (x = 0, 0.25, 0.33, 0.5, 0.67, 0.75, 1) are investigated by first-principle calculations based on pseudo-potential plan-wave method within the density functional theory framework. The results show that as Al content increases in the solid solution, all the bonds have weakened to certain extents, which lead to an unstable structure both energetically and geometrically. The calculated results are compared and discussed with the reported data for the Ti3Si1-xAlxC2 solid solutions. (c) 2007 Elsevier Ltd. All rights reserved.
关键词:
ceramics;ab initio calculations;electronic structure;electrical;conductivity;oxidation behavior;mechanical-properties;ti3sic2;temperature;ti3alc2;air;si
魏洪亮
,
杨晓光
,
于慧臣
材料工程
doi:10.3969/j.issn.1001-4381.2005.04.011
针对涡轮盘用GH4169合金开展了高温下单调拉伸、对称循环及非对称循环的实验工作,结果表明,该材料具有比较明显的循环软化和平均应力松弛特性.采用带Ohno/Wang修正的Chaboche粘塑性理论本构方程,对其表现出的复杂力学现象进行本构建模,介绍了Levenberg-Marquadt非线性优化算法,结合材料实验数据并通过该算法识别了本构方程参数,将本构方程通过用户子程序嵌入到有限元软件ABAQUS中,对GH4169合金的上述实验现象进行了数值模拟,计算曲线与实验曲线取得了较好的一致性.
关键词:
循环软化
,
平均应力松弛
,
本构方程
,
参数识别
