Physical Review B
In order to understand the unusually large value of zero-field splitting D for the axial Fe3+ center in a KTaO3 crystal, Zhou made two assumptions in his recent report [Phys. Rev. B 42, 917 (1990)]. In this Comment we will show that his assumption II is qualitatively reasonable, whereas assumption I is unnecessary and doubtful.
关键词:
electric-field;srcl2
Canying CAI
,
Qibin YANG
,
Hongrong LIU
材料科学技术（英）
Assuming that the wave function , the Schrodinger equation can be written as . Neglecting the last two terms, an analytical expression of electron dynamical diffraction was derived by Qibin YANG et al. In this paper, the analytical expression is modified by further considering the second-order differential term . When the accelerating voltage is not very high, or the sample is not very thin, the reciprocal vector ɡ is large, the modification of the second-order differential is necessary; otherwise it can be neglected.
关键词:
Electron dynamical diffraction
,
null
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
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:
ZHOU Jiankun LIU Xianghuai CHEN Youshan WANG Xi ZHENG Zhihong HUANG Wei ZOU Shichang Shanghai Institute of Metallurgy
,
Academia Sinica
,
Shanghai
,
China
金属学报(英文版)
The TiN films were synthesized with an alternate process of depositing titanium from a E-gun evaporation source and 40 keV N~+ bombarding onto the target.It is shown from the composi- tion analysis and structure investigations using RBS,AES,TEM,XPS and X-ray diffraction spectrum that the formed fihns are mainly composed of TiN phase with grain size of 30—40 nm and without preferred orientation,the nitrogen content in the film is much less than that in case without N~+ bombarding,and an intermixed region about 40 nm thick exists between the film and the substrate.The films exhibt high microhardness and low friction. ZHOU Jiankun,Ion Beam Laboratory,Shanghai Institute of Metallurgy,Academia Sinica, Shanghai 200050,China
关键词:
TiN film
,
null
颜慧成
,
郭征
,
张孟亭
,
张洪平
钢铁研究学报
引入变量m(冲量密度)和Yang-Mills型规范变换m=u+gradφ,将原始变量的N-S方程转化为规范-不变量形式,用自由质点法处理Voronoi元,对连铸结晶器弯月面处保护渣流动行为进行数学模拟.输出振动周期内的动态流场,然后结合一组试验数据进行计算,计算结果与实际情况相吻合,进而讨论了渣圈对液渣流动行为的影响,为研究结晶器弯月面处保护渣的行为和铸坯振痕的形成提供了一定的依据.
关键词:
连续铸钢
,
保护渣
,
流动行为
,
数学模拟
章明川
,
张楚
,
林郁郁
,
徐旭常
工程热物理学报
根据快速流化床的基本流动特性、A 型噎塞和 C 型噎塞的特征与定义,建立了一个统一,自恰的快速床模型一分相共存模型.模型以 A 型噎塞的修正Yang公式为‘本构方程',合理预报了快速床的最小固体流率Gsm,以及在固体流率不变的条件下降低操作气速时床层由A型噎塞向C型噎塞的连续过渡.模型中的稀相有效气流速度函数幂次n为可调参数,根据 C 型噎塞速度预报的Yousfi and Gau公式,初步确定模型参数n=4.
关键词:
快速流态化
,
噎塞速度
,
A 型噎塞
,
C 型噎塞
,
分相共存模型
Physical Review B
The assignment of the absorption spectrum of Y3Fe5O12 (YIG) made by Scott et al. [Phys. Rev. B 10, 971 (1974)] is shown to be incorrect and a new one is made by diagonalizing the complete cubic crystal-field matrices for d5 ions, involving spin-orbit interaction, given by Zhou et al. [Phys. Rev. B 44, 7499 (1991)]. The Racah parameters B and C, the crystal-field parameter Dq, and the spin-orbit coupling coefficient zeta are determined (in units of cm-1) as B = 783.3(530), C = 2928(3220), Dq = 1336(1300), zeta = 395 for octahedral Fe3+, and B = 606.1(705), C = 2696(2730), Dq = -1117.3(560), zeta = 335 for tetrahedral Fe3+, where the numerals in parentheses are the values adopted by Scott et al. Furthermore, the cubic zero-field splitting parameter a of Fe3+ in YIG is calculated to be a(oct) = 156 X 10(-4) cm-1 and a(tet) = 58.6 X 10(-4) cm-1. The value for a(oct) differs from the value of 189 X 10(-4) cm-1 found for Fe3+ in Y3Ga5O12:Fe3+. These results support speculations made by Geschwind [Phys. Rev. 121, 363 (1961)].
关键词:
fe3+;mn2+
