Taohua HUANG
,
Shengming ZHOU
,
Hao TENG
,
Hui LIN
,
Jun ZOU
,
Jianhua ZHOU
,
Jun WANG
材料科学技术（英文）
γ-LiAlO2 single crystal is a promising substrate for GaN heteroepitaxy. In this paper, we present the growth of large-sized LiAlO2 crystal by modified Czochralski method. The crystal quality was characterized by highresolution X-ray diffraction and chemical etching. The results show that the as-grown crystal has perfect quality with the full width at half maximum (FWHM) of 17.7–22.6 arcsec and etch pits density of (0.3–2.2)×104 cm-2 throughout the crystal boule. The bottom of the crystal boule shows the best quality. The optical transmission spectra from UV to IR exhibits that the crystal is transparent from 0.2 to 5.5 μm and becomes completely absorbing around 6.7 μm wavelength. The optical absorption edge in near UV region is about 191 nm.
关键词:
γ-LiAlO2 crystal
,
提拉法
,
化学腐蚀
,
透过光谱
Ke LI
,
Jun WANG
,
Da SHU
,
Baode SUN
,
Yaohe ZHOU
材料科学技术（英文）
Cylinder-like in-situ Al/24Si FGMs were produced by using electromagnetic separating process. Si primary phase reinforced layer with volume fraction as high as 16 pct was formed at the outer region of the cylinder-like samples where the local hardness and wear resistance were enhanced remarkably. Moreover, both of strength and ductility in the inner region provided insurance of reliable strength for this as-cast gradient material. It indicated that general mechanical properties such as good wear resistance at the outer region and good ductility in the central part could be obtained with the optimized redistribution of the Si primary particles under the electromagnetic force.
关键词:
FGMs
,
null
,
null
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
Journal of Applied Physics
While the magnetic ground state associated with the step-like magnetization in Ca3Co2O6 remains to be an issue under debate, we investigate the effect of dipole dipole (D D) interaction on the magnetic ground state using the Wang-Landau algorithm. It is revealed that the D D interaction is equivalent to an effective short-range interaction term. An inclusion of this term allows a columnar-state platform and a 1/2 platform in addition to the two-step feature in the magnetization in response to magnetic field, suggesting that the role of the D D interaction in modulating the multistep magnetization in Ca3Co2O6 is non-negligible although our model may not reproduce all the experimentally observed effects. (C) 2012 American Institute of Physics. [doi:10.1063/1.3676415]
关键词:
one-dimensional ca3co2o6;density-of-states;compound ca3co2o6;algorithm;crystal
