复合氧化物晶体晶格能的近似计算

本文以 Born-Harb 循环为依据,推导了复合晶体晶格能和与其相应的各二元化合物晶体晶格能之间的关系,并由此给出了复合氧化物晶体晶格能近似计算的新公式。对20种复合氧化物晶体晶格能计算结果的分析表明:用本文所给公式对复合氧化物晶体晶格能进行近似计算是可行的。     

LiF：F2^—色心晶体在被动调Q时的受激辐射

本文报导了Nd~(3+)∶YAG激光用LiF:F_2~-色心晶体进行被动调Q时获得该晶体的受激辐射,其光谱范围为1.133～1.154μm.本文用两个耦合的四能级系统的速率方程理论,解释了这一现象,同时给出了若干实验结果.     

幅照处理对Ti:Al2O3晶体光谱的改变

本文用提拉法生长了Ti:Al2O3晶体,并测定了γ光子幅照处理后的晶体样品的荧光谱和吸收谱.不同于未幅照的钛宝石光谱,本工作所测定的光谱中出现了多个峰值,文章分析了出现该现象的可能原因.     

非简谐振动对面心立方晶体结构热力学性质的影响

本文在面心立方晶格模型基础上,用统计物理理论和单粒子近似方法,以Ar晶体为例,讨论非简谐振动对晶体的晶格常数.密度.弹性模量和压强的影响,分析了产生负压的原因..结果表明:研究晶体热力学性质时,需要考虑非简谐效应,才能得到与实际较一致的结果:否则,照简谐理论所得的结果,就与实验事实不完全符合,有的甚至根本不符合.本文还对简谐理论处理引起的偏差大小作了估计.     

LiIO_3中光学参量振荡

本文用电光Q开关YAG:Nd激光的二次谐波作泵浦源、LiIO_3作参量晶体,在近红外区实现了光学参量振荡。描述了实验装置,对结果进行了讨论。     

稀土石榴石晶体磁光效应微观机制研究

本文用量子理论计算了RE:YIG(RE=Ce,Pr)晶体薄膜中RE离子经晶场和交换作用劈裂后的能级和波函数及4f~n→4f~(n-1)5d~1电偶极跃迁几率,进而计算了该晶体的Faraday旋转,计算结果与实验完全符合.结果表明,RE:YIG晶体的磁光效应主要来自RE离子4f~n→4f~(n-1)5d~1的电偶极跃迁;晶场与交换作用起着重要作用.     

晶体中化学键的研究——Ⅱ.碘晶体中的弱共轭σ键

本文研究了碘晶体的性质与键型间的关系。用LCBO方法计算了它的能带结构。认为晶体中存在二维弱共轭σ键网络。由此说明碘晶体的一些特性。     

Ce：Cu：LiNbO3晶体抗光致散射性能研究

用提拉法从熔体生长出来了Ce(0.09%),Cu(0.01%)LiNbO3(Ce:Cu:LiNbO3)晶体,切割后分别对其中两块晶体进行氧化和还原处理,对晶体的抗光致散射能力和衍射效率测试表明,晶体的抗光致散射能力和衍射效率与氧化、还原处理条件有密切关系,其对晶体进行大容量体全息存储起重要作用。     

ZnF2:Ni2+晶体局域结构的理论研究

从光谱和EPR数据出发,用完全对角化方法确定了ZnF:Ni 晶体中的23(4 515 键长与键角,证实了 ZnF:Ni晶体的局域结构畸变的存在%研究结果表明,ZnF:Ni晶体与/01( 基晶的结构参数对比,发现掺杂23(4 离子的ZnF:Ni晶体分别产生了沿. 轴的伸长畸变和在,平面的压缩畸变.光谱和,-.参量计算的理论值与实验值非常接近.     

晶体叠栅的电子显微镜观察及透明片模拟

本文用电子显微镜观察了ＭｏＳ２晶体的叠栅，并通过透明片对晶体栅的模拟，对电子显微像进行定性了识别。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with