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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

Comparison of Inconel 625 and Inconel 600 in resistance to cavitation erosion and jet impingement erosion

Nuclear Engineering and Design

Liquid droplet erosion (LDE), which often occurs in bellows made of nickel-based alloys, threatens the security operation of the nuclear power plant. As the candidate materials of the bellows, Inconel 600 and Inconel 625 were both tested for resistance to cavitation erosion (CE) and jet impingement erosion (JIE) through vibratory cavitation equipment and a jet apparatus for erosion-corrosion. Cumulative mass loss vs. exposure time was used to evaluate the erosion rate of the two alloys. The surface and cross-sectional morphologies before and after the erosion tests were observed by scanning electron microscopy (SEM), the inclusions were analyzed by an energy dispersive spectroscopy (EDS), and the surface roughness was also measured by surface roughness tester to illustrate the evolution of erosion process. The results show that the cumulative mass loss of CE of Inconel 625 is about 1/6 that of Inconel 600 and the CE incubation period of the Inconel 625 is 4 times as long as that of the Inconel 600. The micro-morphology evolution of CE process illustrates that the twinning and hardness of the Inconel 625 plays a significant role in CE. In addition, the cumulative mass loss of JIE of Inconel 625 is about 2/3 that of Inconel 600 at impacting angle of 90 degrees, and almost equal to that of the Inconel 600 at impacting angle of 30 degrees. Overall, the resistance to CE and JIE of Inconel 625 is much superior to that of Inconel 600. (C) 2010 Elsevier By. All rights reserved.

关键词: stress-corrosion cracking;aluminide intermetallic alloys;high-purity;water;mechanical-properties;crevice corrosion;solid particles;wear;behavior;microstructure;deformation;steam

Cavitation erosion and jet impingement erosion mechanism of cold sprayed Ni-Al(2)O(3) coating

Nuclear Engineering and Design

A composite coating was deposited on Inconel 600 substrate by cold spray method using pure Ni powder (60 wt.%) blended with alpha-Al(2)O(3) (40 wt.%) as feedstock. It is expected to be applied to repair the bellows eroded by the liquid droplet erosion (LDE). Microstructure of the coating was observed using optical microscope (OM) and scanning electron microscopy (SEM). Microhardness of the coating was determined by Vickers hardness tester. Cavitation erosion (CE) experiments were carried out in the distilled water. Jet impingement erosion (JIE) experiments were performed in slurry containing 1 wt.% quartz particle with the flow velocity of 15 m/s at impingement angles of 30 degrees, 60 degrees and 90 degrees, respectively. Cumulative mass loss vs. testing time was used to evaluate the erosion rate of the coating. The erosion mechanism was analyzed by OM, SEM, X-ray diffraction (XRD) and the microhardness measurement. The results show that the composite coating has compact microstructure and relatively high hardness. The resistance to CE of the coating is not as good as that of Inconel 600 substrate due to the weak bonds of the Al(2)O(3) particles. However, the results of the JIE test indicate that the slurry erosion resistance of the coating is better than that of Inconel 600 at the impact angles of 30 degrees and 60 degrees, but not at the normal impact angle. (C) 2011 Elsevier B.V. All rights reserved.

关键词: large powder particles;composite coatings;slurry erosion;kinetic;spray;liquid impact;alloy;microstructure;steels;deposition;resistance

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

材料科学技术(英)

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)

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

(1-x)Bi4Ti3O12-xSrBi2Nb2O9铋层状铁电陶瓷结构与性能研究

涂娜 , 江向平 , 李小红 , 傅小龙 , 杨帆

人工晶体学报

采用传统固相法制备了(1-x)Bi4Ti3 O12-xSrBi2 Nb2 O9(BIT-SBN,x=0,0.025,0.050,0.100,0.150,0.200)铋层状无铅压电陶瓷.系统研究了SrBi2 Nb2 O9掺杂对Bi4Ti3 O12基陶瓷物相结构、微观结构以及jie电性能的影响.结果表明:所有陶瓷样品均为单一的铋层状结构;当SBN掺量为0.100时,样品具有最佳的电性能:d33=21 pC/N,相对密度ρ =98.1%,机电耦合系数kp=8.26%,εr=220,介电损耗tanδ =0.29%,剩余极化强度Pr=9.128 μC/cm2,Tc=594℃.同时,SBN的引入增强了样品的抗老化性和热稳定性.

关键词: Bi4Ti3O12 , SrBi2Nb2O9 , 铋层状 , 铁电陶瓷 , 介电性能

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

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

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