极性分子摆动态的三体量子关联

极性分子具有较长的相干时间和较强的偶极-偶极相互作用,因此它被视为量子信息处理的有效量子载体.基于分子摆动态作为量子比特,研究了处于热平衡状态下三极性分子线性链系统的三体量子关联特性,分析了三体负性熵纠缠度、测量诱导扰动和三体量子失协随与电场强度、分子电偶极矩、分子转动常数、偶极-偶极相互作用和温度等参数有关的三个无量纲变量之间的变化关系.研究表明:在其他参数给定的情况下,随电场强度的增加,三体量子关联均变小;随偶极-偶极相互作用强度的增大,三体量子关联先增加到峰值再逐渐变小;温度越高,负性熵纠缠度和三体量子失协越小,但测量诱导扰动随温度的改变在电场强度和偶极-偶极相互作用影响下呈现不同的变化趋势.此外,通过调节电场强度、偶极-偶极相互作用和温度,可改变与操控极性分子摆动态的三体量子关联.     

杀鼠剂溴鼠灵与牛血清白蛋白相互作用的光谱法研究

利用紫外吸收光谱,荧光光谱和同步荧光技术研究了牛血清白蛋白和杀鼠剂溴鼠灵的相互作用.结果表明溴鼠灵对牛血清白蛋白的内源荧光有较强的猝灭作用,两者形成了新的复合物,属于静态荧光猝灭,并且伴随着分子内的非辐射能量转移.通过双倒数及双对数曲线计算了不同温度下的猝灭速率常数Ksv,结合位点数n,结合常数KA,并根据相对应的热力学参数判断二者之间主要为疏水作用力.依据F(o)rster非辐射能量转移理论求出了溴鼠灵和蛋白质问的结合距离r,确定了溴鼠灵在蛋白质上的结合位置.在20和30℃时r分别为2.84和2.87 nm.同步荧光光谱显示,与溴鼠灵作用后BSA分子的二级结构发生了改变.初步探讨了二者的结合模式与作用机制:溴鼠灵分子通过静电引力靠近蛋白质的疏水腔,并以疏水作用力与疏水腔中的氨基酸残基发生相互作用,导致色氨酸残基微环境极性变化.其结果不但阻止了酪氨酸残基与色氨酸残基间的能量转移,而且使色氨酸残基与溴鼠灵分子间产生非辐射能最转移,从而猝灭BSA的内源荧光.     

相互作用拓扑绝缘体中拓扑不变量的计算取得进展

拓扑物质形态,如具有拓扑序的量子霍尔态以及拓扑绝缘体,是近年来凝聚态物理领域最大的进展之一。在拓扑绝缘体中加入电子之间的强关联相互作用,研究可能涌现的新的拓扑物态,以及拓扑物态之间由于相互作用驱动的拓扑相变,是人们关心的问题。前期拓扑绝缘体的理论和实验研究,主要集中于无相互作用或弱相互作用系统,而对于强关联电子系统中的拓扑相变和拓扑不变量的精确计算却付之阙如,并且往往存在把无相互作用系统中的拓扑不变量计算方法简单推广到相互作用系统中,造成概念和实践上的混乱等现象。因此,如何正确计算相互作用电子系统中的拓扑不变量,探测相互作用驱动的拓扑相变和拓扑物态,是十分基础的问题。     

钇盐/聚氨酯体系流变行为及红外光谱研究

研究发现钇盐／线型聚醚基聚氨酯系列反应液的粘度随着稀土盐含量的增多呈规律性上升,认为这与稀土离子同聚氨酯体系中的极性基团产生相互作用有关,由此造成聚合物分子量、分子链排列曲向等结构形态的变化。红外光谱测定证明稀土离子与聚氨酯中的部分羰基配合,产生了新的酰胺结构,其特征吸收谱带位于1650cm^-1;对该体系的流变行为的研究,进一步证实稀土与聚氨酯间的相互作用的存在。流变学与分子光谱学相结合为高分子溶液结构的研究提供了新的手段。     

铁电材料中的极性拓扑结构

调控磁性材料中的自旋拓扑结构(流量闭合型、涡旋、半子(meron)、斯格明子(skyrmion)等自旋组态)可以改进材料的磁性和电磁性能,因而引起了学术界的广泛关注.最近研究表明,在尺寸效应、界面耦合及其相互作用、外延应变等作用下,铁电材料中也会出现自发的极性拓扑畴结构,同时表现出新的铁电相结构和丰富的物理性能.本文总结了铁电纳米结构、铁电薄膜和铁电超晶格中的极性拓扑畴结构类型及其形成机理,分析了这些极性拓扑结构与铁电、压电、介电、光电性能之间的关联,并分别讨论了铁电材料中极性拓扑结构的整体拓扑相变调控和单个极性拓扑结构的外场调控,最后展望了极性拓扑结构未来的可能研究方向.     

隧穿量子点分子模型与光场相互作用的量子信息保真度

利用全量子理论和数值计算方法,研究隧穿量子点分子模型与光场相互作用的量子信息保真度,通过计算机模拟出量子点分子、光场和系统的保真度随时间的演化图像,分析了压缩系数和失谐量对量子信息保真度的影响.结果表明：改变初始光场的压缩系数和失谐量能调节相互作用系统的量子信息保真度.     

香豆素类化合物与人血清白蛋白结合常数的QSPR研究

以21种香豆素类化合物的结构参数、拓扑指数为描述符,借助逐步回归方法建立了多个香豆素类分子结构同其与人血清白蛋白作用的结合常数之定量结构-结合常数关系(QSPR)回归模型,获得了比较满意的结果.模型的分析结果表明,结合作用与香豆素分子的能量、Z向偶极、疏水性有关,对香豆素类药物的设计与筛选具有一定的指导作用.     

拓扑指数与掺杂二硼化镁体系超导电性的关系

构建了电性连接性指数mF和价电子能级连接性指数mE,计算了二硼化镁体及掺杂二硼化镁体系的0阶拓扑指数0F和0E,发现与超导转变温度Tc之间有良好的规律性,因此,本文提出以电性连接性指数mF和价电子能级连接性指数mE作为掺杂二硼化镁体系超导电性的新判据.     

超冷极性分子

目前对超冷原子的研究已经从最初的原子分子物理扩展到了物理的很多分支.极性分子可以将电偶极相互作用引入到超冷体系,同时分子又与原子类似,可以灵活地被光和其他电磁场操控,因而很多理论工作都预言了超冷极性分子在超冷化学、量子模拟和量子信息等领域会有重要的应用.但由于超冷基态分子的制备非常困难,如何把超冷物理从原子发展到分子还是一个方兴未艾的课题.过去的10年间,各种分子冷却技术都取得了很大突破,本文回顾了这些进展,并着重介绍了基于异核冷原子的磁缔合结合受激拉曼转移这一技术,该技术在制备高密度的基态碱金属超冷极性分子上取得了较大的成功.本文也总结了超冷极性碱金属分子基本碰撞特性研究的一些实验结果.     

人参皂苷Rh2与血清白蛋白相互作用立体选择性的光谱及分子对接研究

立体化学是影响外源性药物与生物功能大分子相互作用的关键结构因素。人参皂苷Rh2具有抗肿瘤等生理活性,已发现其中的C-20立体化学与多种生物学效应有关,但其与体内重要药物载体血清白蛋白(SA)相互作用的立体选择性研究鲜见报道。为此,采用紫外吸收光谱、荧光光谱、同步荧光光谱和分子对接技术,研究人参皂苷Rh2的C-20差向异构体在模拟生理条件下与SA相互作用的立体选择性特点及其机制。20S-和20R-Rh2均能与SA按摩尔比1∶1自发形成稳定的复合物,主要通过氢键和疏水相互作用,使SA的相关发光基团疏水性增强,同时改变Trp,Tyr等氨基酸残基周围微环境,从而影响紫外光谱特征吸收峰的位置和强度,并引起内源荧光的静态猝灭。二者与SA的相互作用特征及结合模式均存在显著差异,突出表现为结合区域以及参与氢键和疏水相互作用的基团和氨基酸残基数目及类别明显不同,20S-Rh2具有相对更高的结合常数和结合自由能。人参皂苷Rh2与血清白蛋白的相互作用具有立体选择性,C-20立体化学差异是其中的重要机制。     

The interpretation of ring diffusion effects

The author shows that the ring form of the diffusion effects observed in the initial stages of decomposition of many alloys, including AlZn and AlAg, is due not to a form effect and not to a correlation effect of the spherical Guinier groups, but mainly to their internal structure — scattering from their isotropic modulated structure.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 7–13, October, 1976.     

The coevolutionary ultimatum game on different network topologies

In this paper, a model of ultimatum game is discussed from the coevolutionary perspective, where strategy dynamics and structure dynamics coexist. The interplay between structure dynamics and strategy dynamics leads to overwhelmingly interesting evolved topology and fairness behaviors. It is found that fair division emerges for specific ratios of structure updating probability to strategy updating probability. Furthermore, it is shown that the initial structures have no essentially different effect on the coevolutionary results. In particular, the results for strategy are almost similar whenever the initial structure is set to be the nearest-neighbor coupled network, the ER random network or the scale-free network. Besides, the effects of other spatial factors are also investigated, e.g. the population size has a positive influence on the offer, while the average degree has a negative effect. In addition, one extrinsic factor, the background payoff, is also of great importance in promoting fair divisions. Apart from above, we study the properties of the evolved networks, which have the small-world effect and positive assortative behaviors.     

The domain structure of a nematic liquid crystal layer in an oscillating poiseuille flow

A spatially periodic structure arising in a nematic liquid crystal layer with planar orientation under the effect of an oscillating Poiseuille flow is described theoretically. The effect is analyzed on the basis of hydrodynamic equations of nematic liquid crystals, from which a self-consistent set of equations for perturbations of hydrodynamic variables is separated. It is demonstrated that the structure type and the threshold parameters of the effect depend on the frequency and the layer thickness through the scaling combination ωh ². The dependence of the configuration of arising distortions on the value of viscosity α₃ is analyzed.     

The role of secondary structure in protein structure selection

The presence of highly regular secondary structure motifs in protein structure is a fascinating area of study. The secondary structures play important roles in protein structure and protein folding. We investigate the folding properties of protein by introducing the effect of secondary structure elements. We observed the emergence of several structures with both large average energy gap and high designability. The dynamic study indicates that these structures are more foldable than those without the effect of secondary structures.     

Mn^4＋在钾钠铌酸锶钡晶体中的能态

测得了光折变材料锰掺杂的钾钠铌酸锶钡晶体（ＫＮＳＢＮ：Ｍｎ）的透过率，给出了晶体的能态结构，按配位场理论讨论了Ｍｎ＾４＋的作用机制，从微观结构上解释了ＫＮＳＢＮ：Ｍｎ的光学二极管效应。     

The MIS structure of selenium diodes

It is shown that a selenium diode biased in the reverse direction is characterized by several features special to MIS structures. The effect of ionic processes in the MIS structure on the volt-amp characteristics is studied.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 7–11, November, 1973.     

The action of an electron beam on dust structures in a plasma

The action of an electron beam on ordered dust structures in glow and low-pressure RF discharges was studied experimentally. The electron beam produces destruction and dynamic displacement of the dust structure. In the center of a dust structure, an electron beam with a low electron energy (tens of eV) at currents up to 1 mA caused structural disordering and “melting” in the region of its action but did not excite external crystal regions. Local action of an electron beam with a high electron energy (25 keV) and a beam current above 10 mA caused deformation of the whole dust structure and shifted it in the horizontal direction so that it was carried away from the RF discharge zone. The effect of dust structure displacements can be used to locally remove particles from a plasma.     

量子阱数量变化对InGaN/AlGaN LED的影响

采用软件理论分析的方法分析了InGaN/AlGaN量子阱数量变化对发光二极管内量子效率、电子空穴浓度分布、载流子溢出产生的影响。分析结果表明:量子阱的个数不是越多越好,LED的光学性质和量子阱的个数并不成线性关系。量子阱个数太少时,电流溢出现象较明显;而当量子阱个数太多时,极化现象明显,且会造成材料浪费。因此应根据工作电流选择合适的量子阱个数。     

The role of the mora in the timing of spontaneous Japanese speech

This study investigates whether the mora is used in controlling timing in Japanese speech, or is instead a structural unit in the language not involved in timing. Unlike most previous studies of mora-timing in Japanese, this article investigates timing in spontaneous speech. Predictability of word duration from number of moras is found to be much weaker than in careful speech. Furthermore, the number of moras predicts word duration only slightly better than number of segments. Syllable structure also has a significant effect on word duration. Finally, comparison of the predictability of whole words and arbitrarily truncated words shows better predictability for truncated words, which would not be possible if the truncated portion were compensating for remaining moras. The results support an accumulative model of variance with a final lengthening effect, and do not indicate the presence of any compensation related to mora-timing. It is suggested that the rhythm of Japanese derives from several factors about the structure of the language, not from durational compensation.     

The physics of magnetoelectric composites

This paper gives an overview about the basic ideas of magnetoelectric materials. Up to now single-phase materials show the magnetoelectric effect only below room temperature. Mixing a magnetostrictive with a piezoelectric component is a way to overcome this limitation. This delivers a composite which can exhibit a magnetoelectric effect even at room temperature and higher. Possible candidates for these composites (piezoelectric as well as magnetostrictive) are shown, examples from literature and own results are given. The most important coupling mechanism (magnetization, magnetostriction, local stress, charge) between the magnetostrictive and the piezoelectric phase are discussed. Hints for a direct coupling between the electric polarization and the magnetization are also presented. Different measurement methods for determining the magnetoelectric coefficient are discussed. Representative results as obtained on a technical useful composite between 50% Co-Ferrite+50% BaTiO₃ are given. The behavior of a simple “mixed” structure with that of a “core-shell” structure is compared. The later gives a 20-times larger magnetoelectric coefficient.