最大熵原理研究二维有极分子电介质的极化规律

最大熵原理是自然界的一个基本原理,在很多领域得到了广泛应用。使用最大熵原理,研究了二维有极分子电介质在电场中的电极化规律。结果发现,当电场强度不大时,电极化强度与电场强度成正比关系;但当电场强度很大时,电极化强度与场强的线性关系不再成立,而呈现较复杂的非线性关系。     

Ca_(0.5)Ba_(0.5)MnO_3多铁性的第一性原理

利用第一性原理电子结构计算方法,通过对CaMnO_3, BaMnO_3的软声子模式分析,构造出一种Ca_(0.5)Ba_(0.5)MnO_3(CBMO)合金结构.此合金可同时具有源于Mn原子的铁电(ferroelectric, FE)性与铁磁(ferromagnetic, FM)性,其中G型反铁磁(antiferromagnetic,AFM)构型下的电极化强度为6.70μC/cm~2,铁磁构型下的电极化强度为23.214μC/cm2.其产生的机制是半径较大的Ba原子可导致晶格发生应变,产生有效负压,减弱CaMnO_3的反铁畸变(antiferrodistortive, AFD)模对铁电模的抑制,进而诱导铁电极化.此性质意味着这种材料在磁场的作用下,由G型反铁磁构型转变为铁磁构型时的电极化强度会发生显著变化.基于第一性原理电子结构计算给出的不同磁结构总能,进一步拟合出了海森堡模型的参数,并针对其哈密顿量展开了有限温度下的Monte-Carlo模拟,模拟出的奈尔温度为70 K.这些结果从理论层面提出了一种新型的、源于相同原子的,并可能提供有效磁电耦合的多铁材料,并且可以为今后类似系统的相关实验提供理论参考.     

用最大熵原理研究极性分子电介质的极化

最大熵原理是自然界的一个基本规律,它在很多领域得到广泛应用。本文从电介质的微观结构出发,使用最大熵原理研究了极性分子电介质在电场中的极化规律。结果发现,当电场不很强时,电极化强度与电场强度成正比;但当电场很强时,电极化强度与电场强度成非线性关系。结果说明,电介质是线性的还是非线性的,还要看它所处的电场情况。     

基于激光强度的建筑立面点云分类及信息提取

针对地面三维激光扫描仪的点云激光强度值,提出了一种基于激光雷达方程的数据模型改正方法.通过将激光强度值进行角度和距离改正,分析数据模型的改正效果,并利用改正后的激光强度值对建筑立面点云进行分类及建筑立面信息的特征提取.实验表明:改正模型能对点云激光强度值进行有效补偿,使得同类物体的激光强度值趋于统一.因此,利用改正后的点云激光强度值对建筑立面点云进行分类及特征提取,能够保证分类精度及目标识别效果.     

光泵分子气体激光的调谐和增益特性——四能级近似

本文利用标准的密度矩阵方法,对两激光场和四能级系统的互作用过程写出密度矩阵的刘维方程;两激光场的频率为ω_p、ω_s,场强为E_p、E_s,失谐量为δ_p、δ_s;对CH_3F分子气体,利用电子计算机求出方程的解.由此得出系统的电极化率的虚部x″(ω_s)和δ_p,δ_s 的关系,并讨论了系统的调谐和增益特性.所得结果可应用于分析激光光泵亚毫米波激光器和研究气体分子中双光子吸收过程.     

核运动对H2+和D2+谐波截止区域强度的影响

理论研究了不同激光条件下H2+和D2+谐波截止附近区域强度的变化. 结果显示，在低激光强度下，当采用短脉宽激光场时，H2+谐波强度大于D2+谐波强度. 随着脉宽增大，D2+谐波强度增强并且大于H2+谐波强度. 在高激光强度下，当采用短脉宽激光场时，虽然H2+谐波强度依然大于D2+谐波强度，但其强度差比低激光强度时有所减小. 当采用长脉宽激光场时，D2+谐波强度大于H2+谐波强度. 理论分析表明，不同尺度的核运动是导致H2+和D2+谐波辐射强度不同的原因.     

BaTiO_3/γ-Fe_2O_3颗粒膜的介电性质和磁电性质

本文利用高真空磁控——离子束复合溅射系统在单晶n型Si(100)面上生长了Ag/[BaTiO3/?-Fe2O3]/ZnO结构的复合薄膜,对比研究了BaTiO3/γ-Fe2O3颗粒膜在真空退火温度300°C,400°C和500°C下的介电性质、磁性质以及铁电特性.实验研究发现,随着退火温度的升高,样品的电容和介电常数逐渐变大,在500°C退火的样品,其电容为633.93 pF,介电常数为10.233.所有样品都具有良好的铁磁性和铁电性,其中在400°C退火的样品具有最大的饱合磁化强度103.3 emμ/cm3,而在500°C时具有最大的剩余电极化强度9.13?10?1μm/cm2.同时,在零磁场和1.0 T的磁场下,矫顽电场和剩余电极化强度都没有明显的变化.在200 K时,电滞回线却发生了明显的变化.     

磁场下烧结对Bi_(0.9)La_(0.1)FeO_3结构和电极化性能的影响

采用固相反应法在高温和磁场下退火制备了Bi0.9La0.1FeO3块体样品,利用X射线衍射仪和扫描电子显微镜对其结构和形貌进行了分析,利用铁电材料分析系统对样品的电极化性能进行了测试,在常温下测试结果表明磁场下制备的Bi0.9La0.1FeO3样品电极化性能得到了提高.     

TTF-CA有机分子晶体多铁性的数值研究

基于一维派尔斯-哈伯德模型,采用数值精确对角化和约束路径量子蒙特卡罗数值方法,研究有机分子晶体TTF-CA（tetrathiafulvalene-p-chloranil）的多铁性特征.当填充电子数与格点数相等时（即半填充）,两种方法的计算结果表明,在一定的参数空间体系存在反铁磁和铁电极化共存的多铁状态.在弱电子关联区间,数值计算结果与哈特利-福克平均场得到的结果一致.但在中等至强电子关联区间,数值结果预言,多铁性产生的电声子相互作用强度远低于平均场给出的结果.当填充电子数略低于格点数时,体系存在铁磁与铁电极化共存的状态.研究结果有助于理解和设计新型有机多铁性材料.     

BST类氧化物铁电薄膜的生长研究

利用脉冲激光分子束外延(PLMBE)并结合反射式高能电子衍射(RHEED)方法,针对BST类氧化物铁电薄膜的生长机理进行了较为系统的实验研究。通过生长模式、生长相图、弛豫时间等的变化规律提出氧化物薄膜的原胞生长机理,通过原位实时监测生长过程获得～300℃的最低层状晶化温度,通过界面形成的压应力、张应力调控薄膜表面的形貌结构,通过不对称介质超晶格的设计获得高性能的铁电极化强度,通过过渡层技术在Si基片上实现了铁电薄膜取向生长等。     

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.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

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.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

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