对不同掺杂浓度La3+:PbWO4晶体电子结构的研究

采用缺陷化学方法讨论了PbWO4晶体中不同浓度掺La^3＋时可能存在的缺陷团簇模型，通过GULP计算软件模拟计算了缺陷团簇中La^3＋离子最可能的替位位置，并通过基于密度泛函理论的离散变分DV-Xa方法计算得到相应的La3^＋：PWO4晶体的电子态密度．计算得到低浓度掺杂时晶体的禁带宽度变宽，高浓度掺杂时晶体的禁带宽度变窄．实验测得低浓度掺La^3＋时晶体的吸收边紫移，高浓度掺La^3＋时晶体的吸收边红移，计算结果与实验结果相符、计算表明，La^3＋：PWO4晶体中掺La^3＋可以有效地抑制420nm吸收.     

Fe3O4纳米磁粒子对稀土La^3＋的吸附

为降低稀土对环境的污染,研究了纳米磁粒子对La^3＋的吸附行为。用共沉淀法制备了粒径15nm的Fe3O4磁粒子,考察了该磁粒子对La^3＋的吸附,结果表明：在La^3＋初始浓度100mg／L、pH：6、温度50℃、吸附时间为25min的条件下,磁粒子对La^3＋的平衡吸附量为49．3mg／g。该吸附过程符合假二级动力学模型、Freundlich等温线。     

La3+掺杂对BaTiO3纳米陶瓷微观结构及其性能的影响

采用sol-gel法制备了La^3＋掺杂BaTiO3纳米陶瓷．用DTA-DTG，XRD，PAT和PIA等对目标产物进行分析测试．研究结果表明，在800℃下煅烧2h得到粒径约为50～70nmBaTiO3纳米粉体，La^3＋的掺杂可以降低BaTiO3纳米晶体的烧结温度并使其晶格发生收缩畸变,当0≤x≤0．2，产生弱束缚电子从而导致电阻率降低；当0．2≤x≤0．4产生钡空穴从而导致电阻率升高．     

电子辐照金红石TiO2晶体的正电子湮没技术研究

以电子辐照金红石相TiO2晶体为研究对象,以正电子湮没多普勒展宽能谱和符合多普勒展宽谱为主要的研究手段,对不同辐照参数时的空位型缺陷类型和浓度进行表征.多普勒展宽能谱测试结果表明,S参数随辐照剂量的增加先变大后变小.S-W曲线和符合多普勒的实验结果验证了Ti3＋-VO复合空位的存在.     

BaFCl:Eu~(2 )的正电子湮没谱研究

利用正电子湮没谱研究了不同离子数（Ｆ）／离子数（Ｃｌ）比ＢａＦＣｌ：Ｅｕ２＋系列粉末样品．实验结果表明：当晶体中的离子数（Ｆ）／离子数（Ｃｌ）＜１时，可以有效地产生Ｆ离子空位缺陷，当离子数（Ｆ）／离子数（Ｃｌ）比值在０．９２附近的空位缺陷浓度最大．     

基于正电子湮没寿命谱研究Fe-6.5wt.%Si合金中热空位的生成

正电子湮没技术（PAT）是一种无损伤的材料探测技术,它可以反映正电子所在处电子密度或电子动量分布的信息.由于正电子对原子尺度的缺陷非常敏感,所以正电子湮没技术（PAT）是研究纯金属及金属间化合物中热空位生成的有效工具.基于正电子寿命谱技术对金属间化合物Fe-6.5wt.%Si合金热轧板在不同温度退火后缺陷变化进行研究,发现了正电子平均寿命在673K左右迅速增加,673至1073K温度范围内平均正电子寿命的温度曲线为明显的S形状,1073K以上平均正电子寿命趋于常数,通过分析正电子平均寿命的温度变化曲线,得到了Fe-6.5wt.%Si合金中热空位生成的临界温度值,并计算得到了该合金的空位生成激活焓为HVF=0.54eV.     

不同化学配比钨酸铅晶体缺陷的研究

利用正电子湮没寿命谱（PAT）和X光电子能谱（XPS）的测试手段，对不同化学配比钨酸铅晶体中缺陷进行研究，结果表明丰W样品增加晶体中铅空位（VPb）浓度（物质的量比）、而丰Pb样品则少晶体中VPb浓度。这一结论对大尺寸钨酸铅晶体生长过程中关于温度梯度、生长速度和加温制度的有效选取具有一定的参考作用。并结合发射谱的测试，提出钨酸铅晶体中的绿发光很可能产生于由VPb引起的WO3＋O^-。     

BaFCl：Eu^2＋的正电子湮没谱研究

利用正电子湮没谱研究了不同离子数（Ｆ）／离子数（Ｃｌ）比ＢａＦＣｌ：Ｅｕ＾２＋系列粉末样品。实验结果表明：当晶体中的离子数（Ｆ）／离子数（Ｃｌ）〈１时，可以有效地产生Ｆ离子空位缺陷，当离子数（Ｆ）／离子数（Ｃｌ）比值在０．９２附近的空位缺陷浓度最大。     

电子辐照金红石TiO2晶体的正电子湮没技术研究

以电子辐照金红石相TiO2晶体为研究对象,以正电子湮没多普勒展宽能谱和符合多普勒展宽谱为主要的研究手段,对不同辐照参数时的空位型缺陷类型和浓度进行表征.多普勒展宽能谱测试结果表明,S参数随辐照剂量的增加先变大后变小.S-W曲线和符合多普勒的实验结果验证了Ti3+-VO复合空位的存在.     

电子辐照前后的n型6H-SiC低温正电子捕获的研究

在20～300K低温范围内,通过对电子辐照前后n型6H SiC正电子湮灭寿命谱的测量,揭示了不同空位型缺陷之间的正电子捕获的竞争.建立了一种用于解释正电子寿命谱测量结果的模型,该模型中费米能级位置的改变可影响缺陷的电离以及正电子在缺陷位置的被捕获.根据模型拟合正电子寿命谱数据后得到:在原生的SiC中,正电子最可能被碳空位和碳的双空位所捕获,经估算其浓度分别为1.1×1017cm-3和3.0×1016cm-3;在辐照后的SiC中,正电子最可能被碳的双空位,硅空位或硅空位的杂合态所捕获,经估算其浓度分别为9.8×1016cm-3和5.4×1016cm-3.     

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