中国腐蚀与防护学报
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关键词:
Journal of Applied Physics
Based on the developed multiple-scattering theory [C.-W. Nan and F. S. Jin, Phys. Rev. B 48, 8578 (1993)], an effective-medium theory (EMT) is proposed to treat coupled electromechanical behavior in composite media. The explicit relations for determining effective behavior of piezoelectric composites are derived. To illustrate the technique, numerical results of piezoelectric ceramic/epoxy composites for various particle shapes are presented over the whole range of concentrations. The EMT estimates are shown to be in good agreement with available experimental results. Porous piezoelectric ceramics are also discussed. The EMT predicts a similar critical behavior for heterogeneous piezoelectric materials to recent experiments.
关键词:
electromechanical properties;ceramics
Europhysics Letters
Noncollinear magnetic investigations of the ground state in PrFeAsO have been performed by the density-functional theory. We calculated the total energy and made structure optimization, and the electronic density of states of PrFeAsO was analyzed. There are three different magnetic structures in PrFeAsO defined by experiments. Based on these magnetic structures, we studied four collinear and four noncollinear cases. The ground state is found to take the ordering proposed by Zhao, in which the FeAs plane is of stripe antiferromagnetism and Pr spins are perpendicular to Fe spins. The electronic density of states indicates that for PrFeAsO the increase of the electron Coulomb interaction leads to a decrease in conductivity. Copyright (C) EPLA, 2011
关键词:
high-temperature superconductivity;phase-diagram;oxypnictides;instability
刘建国
,
安振涛
,
张倩
,
杜仕国
,
姚凯
,
王金
材料导报
doi:10.11896/j.issn.1005-023X.2017.04.030
为评估氧化剂硝酸羟胺的热稳定性,使用标准液体铝皿于3 K/min、4 K/min、5 K/min加热速率下进行热分析.借助非等温DSC曲线的参数值,应用Kissinger法和Ozawa法求得热分解反应的表观活化能和指前因子,根据Zhang-Hu-Xie-Li公式、Hu-Yang-Liang-Xie公式、Hu-Zhao-Gao公式以及Zhao-Hu-Gao公式,计算硝酸羟胺的自加速分解温度和热爆炸临界温度,并对热分解机理函数进行了研究.设计了7条热分解反应路径,采用密度泛函理论B3LYP/6-311++G(d,p)方法对硝酸羟胺的热分解进行了动力学和热力学计算.计算结果表明,硝酸羟胺热分解的自加速分解温度TsADT=370.05 K,热爆炸临界温度Te0=388.68K,Tbp0=397.54 K,热分解最可几机理函数的微分形式为f(a) =17×(1-α)18/17.硝酸羟胺热分解各路径中,动力学优先支持路径Path 6、Path 5、Path 4和Path 1生成NO和NO2,其次是Path 2、Path 7和Path 3生成N2和N2O.温度在373 K以下时,Path 1'反应无法自发进行,硝酸羟胺无法进行自发的热分解.从热力学的角度来看,硝酸羟胺在370.05K以下储存是安全的.
关键词:
硝酸羟胺
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热分析
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热稳定性
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热分解机理
,
密度泛函理论
Acta Materialia
In a first report [Jin ZH.. Gumbsch P, Ma E, Albe K, Lu K, Hahn H, et al. Scripta Mater 2006;54:1163], interactions between screw dislocation and coherent twin boundary (CTB) were studied via molecular dynamics simulations for three face-centered cubic (fcc) metals, Cu, Ni and Al. To complement those preliminary results, purely stress-driven interactions between 60 degrees non-screw lattice dislocation and CTB are considered in this paper. Depending on the material and the applied strain, slip has been observed to interact with the boundary in different ways. If a 60 degrees dislocation is forced by an external stress into a CTB, it dissociates into different partial dislocations gliding into the twin as well as along the twin boundary. A sessile dislocation lock may be generated at the CTB if the transited slip is incomplete. The details of the interaction are controlled by the material-dependent energy barriers for the formation of Shockley partial dislocations from the site where the lattice dislocation impinges upon the boundary. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
关键词:
dislocation;slip;twinning;twin grain boundary;molecular dynamics;molecular-dynamics simulation;grain-boundaries;nanocrystalline;materials;cross-slip;rate sensitivity;deformation;copper;strength;aluminum;fcc
曹春海
,
杨名
,
张世远
,
杨森祖
,
崔旭高
,
尤立星
,
吉争鸣
,
康琳
,
许伟伟
低温物理学报
doi:10.3969/j.issn.1000-3258.2003.03.002
采用Nd0.7Sr0.3MnO3/SrTiO3/YBa2Cu3O7-δ的异质结构,研究了自旋极化准粒子的注入效应.在56μm宽的YBCO膜条上成功地制备了与超导膜条同样宽度但不同长度的六个注入结区,长度L分别为80μm, 40μm, 20μm, 10μm, 5μm和2μm.80nm厚的YBCO薄膜在16K温度下Jc为2×105A/cm2.Iin=0.5mA的自旋电流注入下,随L从80μm逐渐顺次减小时,注入效率η=ΔJc/ΔJin逐渐增大.而当L≤20μm后,η不再增加,达到几乎相同的值(～6).初步分析认为这与自旋极化准粒子在超导膜内的有效自旋扩散长度有关.异质结构中YBCO薄膜的超导电性以及注入窗口的尺寸对获得大的自旋注入效率十分重要.
关键词:
注入效率
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自旋准粒子
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巨磁阻
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异质材料
