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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

3 0CrMnSi 2A钢飞机主梁疲劳断裂分析

马康民 , 宣建光 , 康进兴

材料工程 doi:10.3969/j.issn.1001-4381.2001.10.012

用扫描电镜观察了某型飞机机翼主梁的疲劳断口,用疲劳条带估算了裂纹扩展寿命,并用Zheng-Hirt公式估算出裂纹尖端应力强度因子范围,估算结果与实验测定值十分接近,从而为研究老龄飞机的使用寿命,进行了有益的探索.

关键词: 机翼主梁 , 30crMnSiNi2A , 疲劳裂纹扩展寿命

1998 COMPREHENSIVE TABLE OF CONTENTS

中国腐蚀与防护学报

N。1Atmospheric Corrosivlty for Steels………………………………………………… .LIANG Caideng HO[I i。-tat(6)Caustic Stress Corrosion Cr。king of Alloy 800 Part 2.The Effect of Thiosul执e……………………………………… KONG De-sheng YANG Wu ZHAO Guo-zheng HUANG De.ltL。ZHANG Yu。。he CHEN She。g-bac(13)SERS slid E16CttOCh6iniC81 Stlldy Of Illhibit1Oli M6ch&tllsth Of ThlollY68 Oil ITOll ID H....

关键词:

Monte Carlo simulation of angular distribution and fractionation in the zero-fluence isotope sputtering

Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms

A static Monte Carlo simulation program has been used to study the influence of primary and secondary knock-on atoms on the angular distribution and the fractionation, for zero-fluence sputtering of Mo-92-Mo-100. At 10 keV Xe ion energy, calculations show that significant depth-dependent momentum asymmetry exists in the near-surface region, as in Refs. (L.P. Zheng, R.S. Li, M.Y.LI, Nucl. Instr, and Meth. B 100 (1995) 490; L.P. Zheng, M.Y. Li, Nucl. Instr. and Meth. B 114(1996) 28). The calculations also show that at the polar emission angle range between 0 degrees and 90 degrees the probabilities of the sputtered primary knock-on atoms for Mo-92 and Mo-100 are small (6.1% for Mo-92 and 6.6% for Mo-100), especially, between 0 degrees and 30 degrees they are very small (2.5% for Mo-92 and 2.8% for Mo-100). At 0.1 keV Ar ion energy, the calculations show that partial momentum flux ratios, for the primary and the secondary knock-on atoms, deviate far from one, through marker plane 1 (about an atomic layer distance from the surface). (C) 1998 Elsevier Science B.V. All rights reserved.

关键词: mo-92-mo-100;targets

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

Fe80Si9B11非晶合金薄带热膨胀特性和结构弛豫分析

李红 , 孙克 , 李艳萍 , 石毅 , 郭金花 , 卢志超

金属功能材料

提出了采用推杆式热膨胀仪测试非晶合金薄带热膨胀特性的新方法.分析了Fe80Si9B11非晶薄带的热膨胀曲特性和非晶合金晶化过程.根据R.G.Zheng理论分析了结构弛豫中自由体积比变化,发现自由体积比曲线出现双峰.结合晶化前发生相分离的理论分析了这种变化的原因.分析表明:铁基非晶Fe80Si9B11晶化过程中先形成α-Fe(Si)相,再析出Fe3B、二次α-Fe(Si)相.晶化前先发生相分离,自由体积比增大,然后析出结晶相α-Fe(Si),自由体积比降低.随温度升高,B偏聚,自由体积比增大,随后析出Fe3B、二次α-Fe(Si)相,自由体积比降低.

关键词: 铁基非晶薄带 , 热膨胀系数 , 自由体积比 , 结构弛豫

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