材料期刊网

Induced Plasticity of a Brittle (La, Ce)-Based Bulk Metallic Glass by Surface Corrosion

Ji-Juan Liu , Ran Li , Lian-Xiang Fang , Ju Wang , Tao Zhang

金属学报(英文版) doi:10.1007/s40195-016-0368-3

Unexpected facture without any room-temperature plasticity severely limits potential structural applications of bulk metallic glasses (BMGs), especially La-, Mg- and Fe-based ones. In this study, a simple free corrosion method was provided to improve the plasticity of a brittle (La, Ce)-based BMG by the introduction of high-density corrosion defects on the surface. The influences of immersing time in 0.1 mol/L H₂SO₄ aqueous solution on the surface morphology and mechanical properties of the BMG were evaluated. With increasing immersing time from 5 to 30 min, the degree of surface corrosion increased obviously, and the distribution of corrosion defects became more homogenous. In the samples, the yielding phenomenon and certain plasticity appeared up to 0.3% after the surface treatment. The yielding and plasticity can be attributed to easier nucleation of shear bands on the defect surface rather than on the glabrous surface. The results provided a novel method to improve the plasticity of BMGs.

关键词: Metallic , glasses , Corrosion , plastic , deformation , mechanism , Rapid , solidification , Microstructure

Two-step magnetization in a spin-chain system on the triangular lattice: Wang-Landau simulation

Physical Review B

The Wang-Landau algorithm is used to study the thermodynamic and magnetic properties of triangular spin-chain system based on two-dimensional Ising model in order to understand the magnetic-order dynamics in Ca(3)Co(2)O(6) compound. The calculated results demonstrate that the equilibrium state of the rigid spins produces the two-step magnetization curve at low temperature even when the random-exchange term is considered. This work indicates that the four-step magnetization behavior observed experimentally must be due to the nonequilibrium magnetization.

关键词: calcium compounds;exchange interactions (electron);Ising model;magnetisation;thermodynamics;one-dimensional ca3co2o6;density-of-states;compound ca3co2o6;phase-diagram;proteins;crystal

Ion sputter erosion in metallic glass-A response to "Comment on: Homogeneity of Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass" by L-Y. Chen, Y-W. Zeng, Q-P. Cao, B-J. Park, Y-M. Chen, K. Hono, U. Vainio, Z-L. Zhang, U. Kaiser, X-D. Wang, and J-Z Jiang J. Mater. Res. 24, 3116 (2009)

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

改进的Vrentas-Duda扩散模型及其应用(Ⅰ)预测弱极性分子在聚合物膜中的扩散系数

赵欣 , 李继定 , 陈剑 , 陈翠仙

膜科学与技术 doi:10.3969/j.issn.1007-8924.2003.06.003

在膜分离过程中,渗透物分子在聚合物膜内的扩散过程,是影响聚合物膜分离性能的关键因素.详细考察了目前被广泛使用的Vrentas-Duda扩散模型,对其进行改进,提出了新的计算ζ的公式.根据新提出的公式,对聚苯乙烯/甲苯(PS/toluene)、聚苯乙烯/乙苯(PS/ethylbenzene)、聚乙酸乙烯酯/甲苯(PVAc/toluene)3种体系中弱极性渗透物分子的扩散系数进行了预测,其较之原Vrentas-Duda扩散模型、Ju改进的Vrentas-Duda扩散模型有更好的预测结果.

关键词: 自由体积 , 扩散模型 , 聚合物膜 , 扩散系数

Effect of interstitial hydrogen on cohesive strength of Al grain boundary with Mg segregation

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

Effect of Interstitial Hydrogen on Cohesive Strength of Al Grain Boundary with Mg Segregation

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

First-principles study on the effect of Mn and N on the cohesion of a gamma-iron grain boundary

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

考虑夹杂间相互影响的弱界面颗粒复合材料等效模量预测的一般细观力学方法

陈康 , 许希武 , 马凯

材料科学与工程学报

基于Ju和Chen提出的颗粒增强复合材料的一般细观力学方法,采用Qu给出的一阶近似修正的Eshelby张量,本文建立了考虑夹杂之间相互影响的含任意分布弱界面颗粒增强多相复合材料等效模量预测的一般细观力学方法,通过体积均匀化方法得到了一组细观力学本构方程.分别推导了忽略夹杂之间相互影响的弱界面多相复合材料宏观模量表达式以及考虑夹杂之间相互影响的弱界面两相复合材料的宏观模量表达式.此外,还给出了几种特殊复合材料体系在考虑界面弱化下的宏观等效性能参数的解析表达式,在界面粘结完好的假设下,给出的表达式均可以退化成经典的细观力学预测结果.在考虑夹杂之间相互影响的情况下,本文预测结果与实验数据吻合很好,验证了模型的有效性.

关键词: 夹杂之间相互影响 , 轻微弱化界面 , 细观力学 , 等效性能参数 , 颗粒增强复合材料

First-principle study of electronic properties of Ti3Si1-xAlxC2 solid solutions

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

GH4169合金高温力学行为本构建模及参数识别

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