强磁场对中心放置正电荷的GaAs量子环能量的影响

 利用B样条技术研究强磁场中GaAs量子环的能量和量子尺寸效应。计算结果表明: 强磁场下 （B>3T）, 量子环的基态能量E1和库仑能的绝对值EC随着磁场强度B的增大而增大。对应不同角动量（m=-1,-2,-3）,E1-B曲线的间距被放置在中心的正电荷的库仑场拉宽; 基态能量E1随量子环半径r0的变化曲线出现一个极小值位置r00,r00随着B的增加而减小。在不同磁场下的E1-r0曲线的间距被放置在中心的正电荷的库仑场拉近, 库仑能的绝对值EC随着r0的增大而线性减小; 基态能量E1随着谐振子势ω0的增大而增大。库仑场使不同角动量(m=-1,-2,-3）下的E1-ω0曲线出现交叉现象,能级次序发生了变化。库仑能的绝对值EC随ω0的增加而非线性减小。     

磁性粒子Fe（Mn）对FeMnAl合金磁性和热力学性质的贡献

基于伊辛模型的单自旋反转蒙特卡洛算法,研究了无序Fe05Mn01Al04合金中的铁磁性粒子Fe和反铁磁性粒子Mn对体系的磁性和热力学性质的贡献.首先,检验了晶格大小以及Monte Carlo 模拟步数对结果的影响,证实了低温合金阻挫的存在,确定了Fe05Mn01Al04合金的冻结温度以及居里温度;其次,详细研究了铁磁性粒子Fe和反铁磁性粒子Mn对Fe05Mn01Al04合金的磁化强度和磁化率的贡献,发现低温区域磁化强度和磁化率的变化是由反铁磁性粒子Mn决定的,而在高温区域的变化是由铁磁性粒子Fe决定的.最后,通过与Fe05Al05合金以及Fe06-xMnxAl04（x=005、01、02、03）合金的磁性和热力学性质的比较,发现高温区域磁性粒子Mn可以被看成是Al原子,但正是Mn粒子才使得Fe05Mn01Al04合金在低温区域存在着自旋玻璃态.     

Schauder不动点定理在分数阶三点边值问题中的应用

用Schauder不动点定理研究分数阶三点边值问题:〖FC(〗Dα0+u(t)+f(t,u(t))+e(t)=0,0相似文献   

SeH和Se2H分子基态（X2∏）及SeH-离子基态（X1∑）的结构与势能函数

根据群论及原子分子反应静力学原理，推导了SeH(Se2H)分子基态（X2∏）与SeH-离子基态（X1∑）的电子态及相应的离解极限.采用量子力学从头算方法，运用二次组态相互作用QCISD（T）和电子相关单双耦合簇CCSD（T）方法及6311++G(3df,3pd)基组，标准的MurrellSorbie函数及修正的MurrellSorbie+c6函数，对SeH(Se2H)分子基态（X2Π）与SeH-离子基态（X1∑）的平衡结构和谐振频率进行了几何优化计算.由作者导出的相应光谱数据（ωe,ωeχe,     

HSS和HOO反应机理的研究

本文采用G2M(CC5)//B3PW91/6-311+G(3df,2p)方法研究了HSS和HOO反应机理. 结果表明,HSS与HOO反应主要存在4条通道,分别生成产物P1(H2O+SSO), P2(H2O2+1S2), P3(H2S2+1O2)和P4(H2+SSOO),主通道为生成P1(H2O+SSO)的通道,其表观活化能为-12431 kJ?mol-1. 根据传统过渡态理论结合隧道效应校正,计算了各个通道在298~1000 K温度范围内的表观速率常数k,发现产物P1(H2O+SSO)主产物,总速率常数呈现负温度系数效应. 此外,理论预测了稳定物种的生成焓(ΔfHe298K),计算结果与实验较为接近.     

铝热还原氮化法一步烧结制备AlON陶瓷研究

以微米Al粉和纳米γ-Al2O3为原料,采用铝热还原氮化法在流动N2中进行了AlON陶瓷的一步反应烧结制备.结果表明,合成纯相AlON的最佳Al含量为11 wt%.在1650℃以下Al先和N2反应生成AlN,AlN再在1650℃以上与Al2O3通过固相反应生成AlON,并在1700℃制备了纯相的AlON,但此时块体中的AlON颗粒几乎没有出现烧结,在更高温度下才合并长大形成AlON陶瓷.煅烧温度较低时（≤1700℃）,样品表面和内部的物相组成基本相同,但在高温下（≥1750℃）内部仍为纯相AlON而表层却被过度氮化出现AlN杂相.最后用热力学对该现象进行了分析.     

基于全同态加密与对称加密融合的批处理方案

现有的全同态加密方案都具有很大的密文膨胀问题,该问题是制约实际应用的重要瓶颈.为了提高传输效率,Naehrig等提出了混合加密的想法,即用户使用密钥为k的对称算法E加密明文m,再使用公钥为pk的全同态方案加密密钥k,将缩小尺寸后的密文c′=(HEpk(k),Ek(m))发送给云端,云端可以同态运算解密电路CE-1解压出同态密文HEpk(m).本文将全同态加密与对称加密融合方案推广到批处理形式,利用中国剩余定理将l个密文Ek(m0),…,Ek(ml-1)打包进一个密文C中,将C′=(HEpk(k),C)发送给云端.云端利用C′,只需要同态运算CE-1一次就可以恢复出全部的HEpk(mi),这个过程在原方案中需要进行l次.通过这种方式,极大地缩短了原本需要耗费大量计算的同态运算解密电路过程.文中以批处理GSW13全同态加密与FLIP流密码融合方案为例详细说明了这一过程.与原方案相比,对于安全参数为λ的FLIP流密码方案,批处理方案可以将这个过程的计算复杂性从O~(λ3)缩小到O~(λ2).     

新型超硬材料BC2N的第一性原理研究

应用基于粒子群优化算法的卡里普索（CALYPSO）晶体结构预测方法, 我们发现了一种新型的具有四方结构的BC2N的同素异形体, 空间群为I4/MMM. 利用基于密度泛函理论的第一性原理计算方法对该新型BC2N结构的电子能带结构、 态密度、 以及弹性性质展开了深入的研究. 计算结果发现： 此BC2N结构动力学稳定, 并且具有较大的体弹模量 (3544 GPa) 和剪切模量 (3755 GPa); 同时, 理论计算还表明该结构是一个带隙宽度为216 eV的直接带隙半导体, 其维氏硬度值可达到656 GPa. 因此, BC2N有望成为一种潜在的新型超硬材料和发光材料. 本工作将为人们探索新型的超硬材料提供一定的理论依据.     

九配位多孔金属有机框架Eu(HCOO)3配合物的原位合成及其结构分析

在高温水热条件下,N,N-二甲基甲酰胺(DMF)水解生成甲酸配体,合成九配位的配合物Eu(HCOO)3,配合物通过红外光谱,X-射线单晶衍射和元素分析.结果显示：配合物为三方晶系,R3m空间群.a=104972(3) nm,b=104972(3) nm,c=040011(2) nm,α=9000°,β= 9000°,γ=12000°,V=038182(2) nm3.配合物中,甲酸根以三齿配位方式桥联,每 1 个铕（Ⅲ）离子与 9 个甲酸根的氧原子配位,形成了EuIIIO9的九配位三帽三角棱柱体结构,具有高度对称结构.同时对配合物进行了荧光测试,发现配合物具有下转换发光,荧光寿命较长为11 ms.     

外场下SnO分子结构和特性研究

对Ｓｎ原子采用ＳＤＢ-ｃｃ-ｐＶＴＺ基组,Ｏ原子采用 ６-３１１＋＋Ｇ基组,利用密度泛函中的 Ｂ３Ｐ８６方法对 ＳｎＯ分子的基态结构进行了优化计算,并研究了外场对 ＳｎＯ基态分子的键长、总能、电荷布居分布、能级分布、电偶极矩、谐振频率和红外谱强度的影响。并利用杂化密度泛函理论（ＣＩＳ ＤＦＴ）方法研究了外电场对 ＳｎＯ分子由基态到前 ６个单重激发态跃迁规律的影响。结果表明,在所加电场范围内,随着正向电场 Ｆ的逐渐增大,基态分子的键长 Ｒｅ先减小后增大,在 Ｆ＝００４ａ．ｕ．时取得最小值 ０１７９６ｎｍ;总能先增大后减小,其在 Ｆ＝００３ａ．ｕ．时取得最大值 －２１４４８３９６ｅＶ;电偶极矩则先减小后增大,在 Ｆ＝００３ａ．ｕ．时取得最小值 ０２１２４Ｄｅｂｙｅ;ＳｎＯ基态分子的最高已占据轨道（ＨＯＭＯ）能量 ＥＨ和谐振频率逐渐增大;红外光谱强度、分子的最低未占空轨道（ＬＵＭＯ）能量ＥＬ和能隙 Ｅｇ则逐渐减小。外电场的大小与方向对跃迁电偶极矩、跃迁波长、激发能和振子强度均有很大影响。     

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     

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     

Journal of Donghua University ( English Edition) Contents of Volume 31

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Brief Introduction to “Journal of Jilin University( Science Edition) ”

<正>"Journal of Jilin University(Science Edition)"is a comprehensive academic journal in the fields of science sponsored by Jilin University and administrated by the Ministry of Education of the Peoples Republic of China.The journal started publication in 1955.The original name at starting publication was"Journal of Natural Science of Northeast People University",which was changed into"Acta Scientiarum Naturalium Universitatis Jilinensis"in 1958 owing to the name change of the university.The present journal name has