Weizhen OUYANG
,
Xia CAO2
,
Ning WANG
金属学报(英文版)
The aim of this article was to theoretically study diffusion and migration of chloride ions during electrochemical chloride removal. The proposed model would enable optimization of its application by predicting the optimal treatment time and current combination. A mathematical model for simulating the transport behavior of chloride ions was developed by consideration of diffusion and migration of chloride ions when a constant DC current density was applied through the marine cast iron artifacts. The corresponding tests were conducted to validate the mathematical model. This model predicted the data of the extraction ratio of the chloride ion that correlated satisfactorily with the experimental values. An important issue in electrochemical chloride removal was to understand how chloride ions moved, taking account of diffusion and migration of chloride ions and the release of binding chloride ions. The effects of the treatment time, externally applied current density, chloride diffusion coefficient, and rate constant of release of binding chloride ion on chloride removal are studied. The specific quantitative details applied to one-dimensional model were discussed here. This article has proposed a mathematical model for the first time, which was showed to be a useful tool that can reveal the ionic transport mechanism and optimize the application during electrochemical chloride removal.
关键词:
Marine cast iron
,
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
Y.D.Xiao
,
W.X.Li
,
D.Jacovkis
,
M.T.Clavaguera-Mora
,
J.Rodriguez-Viejo
,
N.Clavaguera
金属学报(英文版)
Rapidly solidified Al87Ni7Cu3Nd3 metallic glasses, prepared by using melt spinning, were treated under both isothermal and non-isothermal regime. The amorphous rib-bon and the annealed samples were closely examined by means of differential scan-ning calorimetric, conventional X-ray diffraction and high resolution transmission electron microscopy with selected-area electron diffraction, with special interest in pri-mary crystallization into α-Al nanocrystalline particles, in order to understand struc-tural characteristics of Al-based amorphous/nanocrystalline alloys, and nucleation and grain growth mechanism on the nanometer scale during primary crystallization. The results show that, the as-prepared ribbons are fully amorphous and homogeneous in the micron scale, but contain high density of quenched-in clusters or crystallite embryos. Primary crystallization mainly leads to formation of two-phase mixture of α-Al crystal and residual amorphous phase. The annealed ribbons exposed isother-mally at 110℃ for 5, 130 minutes and heated continuously up to less than 310℃ at 40℃/min consist of large amount of α-Al fec crystal nanoparticles dispersed uni-formly in an amorphous matrix. However, a very little amount of finer orthorhombic Al3Ni intermetalics particles exist in the annealed ribbons heated up to 310℃. During primary crystallization, the leading kinetic mechanics to impede growth of the α-Al crustal is soft impinaement, instead of geometric impinqement.
关键词:
rapid solidification
,
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
