Molecular dynamics of MgSiO3 perovskite melting

The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments.     

正丁基苝四羧酸二酰亚胺的晶型和性能研究

文章合成了N,N'-二正丁基苝四羧酸二酰亚胺,并纯化、调晶,进行了IR、元素分析、X射线等测定.分析该化合物在DMF中的紫外光谱(最大吸收波长524.80 nm)、荧光光谱(最大发射波长539.0 nm)、Stokes位移(数值15 nm)等光谱性质.在400～700 nm范围内,α晶型薄膜紫外-可见吸收出现很强的吸收峰,且由β型变为α型,最大吸收波长有明显的红移(545 nm变为580 nm).X射线粉末衍射也反映出α晶型的2θ在26.0°处衍射峰CPS为2 508,β型在25.2°为1 891.α,β晶型作为电荷产生材料制得的功能分离型有机光导体,在光源滤波波长λ=532 nm曝光下,测得含α,β感光体达到饱和电位的时间分别为46,93.98 s,光衰电位(5.3千伏电压负充电电晕,1～2 s后的表面电位)分别为727和525 V,半衰曝光量分别为4.32,4.34μJ·cm-2,残余电位分别为30和45 V等光导性能数值.     

脉冲磁场处理对碳纳米管掺杂MgB2线材临界电流密度的影响

对碳纳米管(CNT)掺杂MgB₂超导体磁场处理后的行为进行了研究. 结果表明，CNT掺杂MgB₂超导体经5T脉冲磁场处理后临界电流密度J_c(H)在低磁场下提高了2—3倍，高场下提高一个数量级以上，扫描电镜结果显示CNT沿着处理磁场方向规则排列并且成为MgB₂基体的形核中心和高效的磁通钉扎中心. 关键词： 2')" href="#">MgB₂ 碳纳米管 脉冲磁场处理     

Surface rumpling of cubic CaTiO3 from density functional theory

In this paper, the structure of cubic CaTiO3 （001） surfaces with CaO and TiO2 terminations has been studied from density functional calculations. It has been found that the Ca atom has the largest relaxation for both kinds of terminations, and the rumpling of the CaO-terminated surface is much larger than that of TiO2-terminated surface. Also we have found that the metal atom relaxes much more prominently than the O atom does in each layer. The CaO-terminated surface is slightly more energetically favourahle than the TiO2-terminated surface from the analysis of the calculated surface energy.     

安全质量费用工期在网络计划中的系统优化研究

施工网络计划中安全、质量、费用、工期达到综合优化是工程管理决策追求的目标,在工程项目管理中对这4个指标进行全面系统分析,并且进行综合均衡优化,对于提高工程项目的综合效益至关重要.采取在网络计划所有可行的施工方案中寻求最优的方案组合,从而达到总目标的优化.并且通过一个实例来说明本方法的应用.     

图像的自动采集分析和实现

文章针对焊件检测过程中需大量采集和分析实时图像的要求 ,利用小波分析的特点 ,相关跟踪识别视频图像运动状态 ,实现自动采集、分析处理和储存一并完成 ,解决了视频图像连续捕获不能得到高像质的问题。     

1.54μmEr3+,Yb3+共掺玻璃激光器的速率方程及数值分析

LD抽运共掺Er,Yb玻璃激光器中的跃迁过程较复杂,针对双掺离子之间的能量传递和Er3+的多种跃迁过程,给出了详细的准三能级系统的速率方程,在合理简化后进行了数值分析,分析了Er3+掺杂浓度和介质长度、抽运光斑、输出镜透过率、谐振腔长、抽运光的椭圆度等因素对激光阈值及斜率效率的影响. 关键词： 1.54μm激光 Er3+玻璃 速率方程 数值分析     

Surface analytical characterization of oxide-free Si(100) wafer surfaces

Summary Wet-chemical cleaning procedures of Si(100) wafers are surface analytically characterized and compared. Hydrophobic surfaces show considerably less native oxides in comparison to hydrophilic surfaces.The growth of the oxide is determined as a function of exposure to air by means of XPS measurements. The chemically shifted Si2p XPS signal is utilized for the quantification of the growth kinetics.One hour after cleaning no chemically shifted Si2p XPS peak is discernible on the hydrophobic surfaces. Assuming homogeneous oxide growth, the detection limit of native oxides is estimated to be below 0.05 nm using an emission angle of 18° with respect to the wafer surface. The calculation of the oxide thickness from the chemically shifted and nonchemically shifted Si2p XPS peak intensities is carried out according to Finster and Schulze [1]. For more than a day after cleaning no surface oxides can be identified on the hydrophobic surfaces. The oxide growth kinetics is logarithmic. The very slow oxidation rate cannot be attributed to fluorine residues since no fluorine is seen by XPS. We explain the slow oxidation rate by a homogeneous hydrogen saturated Si(100) wafer surface.

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Oberflächenanalytische Charakterisierung oxidfreier Si(100)-Waferoberflächen

     

Effects of Nb2O5 on thermal stability and optical properties of Er3+-doped tellurite glasses

Er³⁺-doped tellurite glasses with molar compositions of xNb₂O₅-(14.7-x)Na₂O--10ZnO--5K₂O--10GeO₂-- 60TeO₂--0.3Er₂O₃ (x=0, 3, 5, 7 and 9) have been investigated for developing 1.5~μm fibre and planar amplifiers. The effects of Nb₂O₅ on the thermal stability and optical properties of Er³⁺-doped tellurite glasses have been discussed. It is noted that the incorporation of Nb₂O₅ (x=5) increases the thermal stability of tellurite glasses significantly. Er³⁺-doped niobium tellurite glasses exhibit a large stimulated emission cross-section (7.2\times 10^-21- 10.7×10^-21~cm² and the gain bandwidth, FWHM×\sigma_e^{\rm peak} (274\times 10^-28 - 480×10^-28~cm³), which are significantly higher than that of silicate and phosphate glasses. In addition, the intensity of upconversion luminescence of the Er³⁺-doped niobium tellurite glasses decreases rapidly with increasing Nb₂O₅ content. As a result, Er³⁺-doped niobium tellurite glasses might be a potential candidate for developing laser or optical amplifier devices.