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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

Fe-Mn-C系M_s及马氏体相变驱动力的热力学计算

张鸿冰 , 倪乐民 , 徐祖耀

金属学报

经 LFG(ΔG~(γ→a))-Mogutnov(ΔG_(Fe)~(γ→a))、徐祖耀(Shu-A)(ΔG~(γ→a))-Orr-Chipman(ΔG_(Fe)~(γ→a))、徐祖耀(Shu-B)(ΔG~(γ→a))-Orr-Chipman(ΔG_(Fe)~(γ→a))组合,均可算得 Fe-Mn-C 合金的 Ms 温度且与实验值十分符合.所得结果经数学处理,得 Fe-Mn-C 系 Ms 与成分的关系为:Ms(K)=817.4-7513.4xc-4141.9x_(Mn)-32083.5x_Cx_(Mn)(LFG)Ms(K)=829.9-7580.5x_C-4166.0x_(Mn)-15727.8x_Cx_(Mn)(SHU-A)Ms(K)=829.2-7276.1x_C-2915.4x_(Mn)-43825.7x_Cx_(Mn)(SHU-B)其线性相关系数均大于0.992.C 和 Mn 浓度均使合金的 Ms 线性地降低,而碳的作用几乎是Mn 的两倍.处理中引入了合金元素交互作用项(x_Cx_(Mn)),表明 C,Mn 相互加剧对 Ms 的影响。随含 C,Mn 量的增加,相变驱动力均单调地增加,而不存在奇异点.Ms 和相变驱动力的计算值均依赖于ΔG_(Fe)~(γ→a)项.

关键词:

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

Study on the thermal stability of Cu-P based amorphous alloy systems

Journal of Materials Processing Technology

The crystallization temperatures and other thermal properties have been measured systematically for two ternary Cu-Ni-P and two quaternary Cu-Ni-Sn-P amorphous systems. The dependence of crystallization temperature on the composition for the four alloy systems can not be described basically by the usual used Naka rule. The Gibbs free energy of crystallization can be calculated for the alloy systems with the model proposed by Shu et al. Using the calculated free energy of crystallization, it is still not possible to properly describe all of the crystallization temperatures of the alloy systems. However, it has been found that the correlation between the crystallization temperature and the content of the alloy systems can be reasonably explained by the nucleation and growth rates of a new phase for the classical theory of phase transformation. It has been established that the classical theory of phase transformation can be used to describe the thermal stability of the Cu-based amorphous alloys during their crystallization process. (C) 1999 Published by Elsevier Science S.A. All rights reserved.

关键词: thermal stability;amorphous alloys;Cu-P based alloy systems;classical;theory of phase transformation;solid-liquid interface;structural model;glasses

AlInGaAs/AlGaAs应变量子阱增益特性研究

盖红星 , 李建军 , 韩军 , 邢艳辉 , 邓军 , 俞波 , 沈光地 , 陈建新

量子电子学报 doi:10.3969/j.issn.1007-5461.2005.01.016

采用Shu Lien Chuang方法计算了AlInGaAs/AlGaAs应变引起价带中重、轻空穴能量变化曲线,在Harrison模型的基础上详细地计算了AlInGaAs/AlGaAs和GaAs/AlGaAs量子阱电子、空穴子能级分布并且进一步研究了这两种材料在不同注入条件下的线性光增益.进一步计算比较可以得出AlInGaAs/AlGaAs应变量子阱光增益特性要优于GaAs/AlGaAs非应变量子阱增益特性,因此AlInGaAs/AlGaAs应变量子阱半导体材料应用于半导体激光器比传统GaAs/AlGaAs材料更具优势.

关键词: 光电子学 , 应变量子阱 , 光增益 , AlInGaAs , 半导体激光器

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

高PPI ADS产品白Mura不良产生原理及改善研究

桑胜光 , 车晓盼 , 王嘉黎 , 郭红光 , 井杨坤 , 李泽 , 游伟

液晶与显示 doi:10.3788/YJYXS20163105.0435

现有传统TFT-LCD生产工艺中,Rubbing工艺在生产高PPI ADS产品的过程中,在改善Rubbing Mura不良时会使用H Cloth,但使用H Cloth Glass在经过Rubbing后ODF Rubbing Cleaner清洗时会出现白Mura不良.经过对白Mura不良Panel的微观解析,并结合H Cloth性质分析出白Mura不良是由于H Cloth自身的聚醋酸脂颗粒经过Rub-bing Cleaner聚集造成的.从Rubbing Cleaner清洗时改变Glass表面性质(醇类可以有效改变界面性质)入手,通过使用IPA对Glass进行清洗以改变聚醋酸脂疏水性,使得聚醋酸脂颗粒更易被Rubbing Cleaner清洗掉来改善白Mura不良,并结合生产实际定期对IPA进行更换以保持IPA浓度处于一个稳定的区间,使得高PPI ADS产品白Mura不良发生率由改善前的3.42%降低至改善后的0.11%,白Mura不良得到非常有效的改善.

关键词: 高PPI , 白Mura不良 , 聚醋酸脂 , 疏水性

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