含硫氨基酸与本征及缺陷石墨烯表面的相互作用

半胱氨酸及蛋氨酸是人体的两种含硫氨基酸,在生物活性中发挥着巨大的作用.本研究采用密度泛函理论方法对以上两种氨基酸在本征及缺陷石墨烯表面的吸附机理进行了详细研究.主要考虑了两种吸附体系:半胱氨酸及蛋氨酸平躺在两种石墨烯表面;两种氨基酸垂直地放置于两种石墨烯表面,且含硫的基团靠近表面.研究结果表明,半胱氨酸及蛋氨酸初始构型对它们之间的相互作用有一定的影响.两种氨基酸平躺时有较大的吸附能.此外,吸附能的结果显示两种氨基酸可以更好的与缺陷石墨烯表面紧密结合.同时,蛋氨酸与本征及缺陷石墨烯相互作用均大于半胱氨酸与本征及缺陷石墨烯相互作用.模拟结果有望为含硫氨基酸的石墨烯传感器提供有用的指导.     

光电振荡器中锁相环和注入锁定技术的比较和优化

分析比较了基于锁相环技术和基于注入锁定技术的两种光电振荡器的特性,推导了两种光电振荡器的噪声传递函数,并进行了实验验证,得出了这两种技术应用于光电振荡器的相似性和各自的优缺点.由于光纤对温度的高敏感性,采用这两种技术的光电振荡器都存在着易失锁的问题.为解决这一问题,分别分析了两种光电振荡器输出信号与参考信号间的相位关系,基于此关系设计了锁定状态监测和反馈系统,并实验验证了系统的有效性.     

Dawson–Furnstahl计算方案与Dirac空穴理论的联系

在相对论无规位相近似中,有两种顾及负能态贡献的方法.一种是由Dawson和Furnstahl(DF)提出的计算方案.他们假定Dirac海是空的.另外一种就是Dirac空穴理论,它认为负能海的全充满的.这两种方法在顾及负能态贡献上看似完全对立.文章中考察了这两种方法的关系,并给出了DF方法的适用范围.     

平行场下的SMES磁体磁滞损耗计算模型的分析

本文首先介绍了单芯高温超导带材交流损耗的机理,然后以SMES磁体磁滞损耗计算为例,分析了两种单芯超导带材磁滞损耗计算模型的计算结果,发现在不同场强范围内两种模型计算结果有明显的差异,并给出了计算交流损耗时两种模型的适用范围.最后简要说明了两种模型计算结果不同的原因.     

中药八角茴香水浸液的荧光光谱

为深入研究中药八角茴香的荧光成分,测试了八角茴香沸水浸取液的三维荧光光谱和紫外光谱,发现水浸液中主要存在两种荧光组分,一种组分的荧光激发波长为228nm和275nm,发射波长为304nm,另一种组分的荧光激发波长为260nm,发射波长为348nm.两种组分的荧光发射峰相距44nm,可以不经分离而分别测量.当溶液pH升高时,两种组分的荧光强度都随之改变,表明发生了质子离解.两种组分的荧光强度与浓度之间都存在良好的线性关系,据此可对两种组分进行定量分析.     

强流直流束在螺线管透镜中传输的Lie映射

用Lie代数方法分析了强流直流柬在螺线管透镜中的传输,考虑了两种情况:一种情况是外磁场力大于空间电荷力,另一种情况是外磁场力小于空间电荷力.得到两种情况下的传输矩阵.分析结果编制成了程序,并计算了ECR离子源之后的束流传输系统.     

强流直流束在螺线管透镜中传输的Lie映射

用Lie代数方法分析了强流直流束在螺线管透镜中的传输, 考虑了两种情况：一种情况是外磁场力大于空间电荷力, 另一种情况是外磁场力小于空间电荷力. 得到两种情况下的传输矩阵. 分析结果编制成了程序, 并计算了ECR离子源之后的束流传输系统.     

基于复杂度的自适应门限弱小目标检测方法

针对红外弱小目标检测问题,提出了一种基于图像复杂度的自适应门限目标检测方法.讨论了天空中四类不同区域的图像信息熵.图像信息熵虽然较好地表达了图像的平均信息量,但对图像的突变点不敏感.将它改进得到图像方差加权信息熵,其较好地反映了图像的复杂度特征.将图像方差加权信息熵作为图像复杂度的定量描述,用两种特定的分析模板对图像复杂度进行分析.在目标区域中,两种分析模板得到的复杂度差异较大,而非目标区域的两种复杂度则基本没有差异.算法获取两种分析模板下的复杂度图像,再对两种复杂度图像做差,得到复杂度差值图像.对差值图像建立指数模型得到自适应分割门限完成目标检测.实验结果表明,该方法对低信杂比的红外云层背景弱小目标图像具有良好的检测效果.     

声表面波Chirp滤波器及卷积器组成的信号谱分析系统

本文报告了两种声表面波(SAW)器件组成的频谱分析系统及其实验结果.使用SAW Chirp滤波器与SAW卷积器组成两种类似的实验系统,进行了连续波信号、调制脉冲信号、以及上述两种信号同时输入的谱分析,还进行了信号加窄带干扰的谱分析.两种系统获得一致的结果.实验表明,这些系统具有8MHz带宽,可分析10μs时宽的信号,其等效滤波器数目等于80.文内给出一些实验照片. 由SAW器件组成的谱分析系统是一种模拟信号处理系统.它具有结构简单、实时、时带积大、体积小、重量轻及功耗低等优点,是七十年代发展起来的,颇受人们的重视.我们在国内首次实现了由SAW Chirp滤波器或/和卷积器组成的两类系统.     

一道变力做功问题两种方法的比较及分析

对于一道经典的大学物理变力做功问题,学生中出现了两种解法,一种沿用高中物理间接方法——功能原理求解,另一种采用大学物理中关于变力做功定义法,两种解法思路不同,但是结果相同.通过对比两种解法,得出了中学物理解题方法的局限性,并进一步分析了学生在解答问题过程中所暴露出的问题.     

Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom

The electronic structures of the perfect BaMoO₄ and BaMoO₄ crystals containing an interstitial oxygen atom situated at an appropriate position with the total energy being the lowest are studied within the framework of the density functional theory with the lattice structure optimized. The calculated results reveal that the interstitial oxygen atom situated at two different interstitial sites would combine with formal lattice oxygen ions forming molecular ions in two different ways, and the interstitial oxygen atom would cause visible range absorption band peaked at about 320 nm.     

Theoretical study of the effects of vacancy and oxygen impurity on Ti_2GaC

This paper presents the mono-vacancy formation and migration energies of each element Ti, Ga, and C in the MAX phase Ti2GaC, which are obtained by first principles calculations. We also calculate the formation energies of oxygen substituting for Ti, Ga, and C and two formation energies of oxygen interstitial in different sites. The results show that the formation energy of oxygen substituting for Ti is the highest, and the formation energies of the O substitution for Ga atoms decrease as the oxygen concentration increases. The two different formation energies of one oxygen interstitial show that the stable site for the oxygen interstitial is at the center of the triangle composed by three Ga atoms. The effects of vacancy,oxygen substitution, and the interstitial on the electronic properties of Ti2GaC are also discussed in light of the density of states and the electron charge density.     

Mechanism for the enhanced diffusion of charged oxygen ions in SiO2

Based on real-space multigrid electronic structure calculations, we find that a double Si-O-Si bridge structure is the lowest energy configuration of interstitial oxygen ions (O(-) and O(2-)) in SiO2, where two additional Si-O bonds are formed with almost no interaction between the interstitial and host O atoms, while the peroxy linkage is the most stable structure for neutral interstitial O. We propose a diffusion mechanism of interstitial O ions generated from molecular O2 under UV radiation, and find extremely low energy barriers of 0.11--0.27 eV for migration in the form of the double-bridge structure, in good agreement with enhanced oxidation experiments.     

Application of a solvation shell analysis to the diffusivity of an interstitial species in binary substitutional solutions

A model is presented for the effect of substitutional solute elements on the diffusion coefficient of an interstitial species for low concentrations of both solutes. The model is based on the theory of absolute reaction rates and a Wagner random, noninteractive model for the substitutional solution, with Maxwell-Boltzmann statistics for the distribution of the interstitial atoms. Simplifying assumptions are made concerning the configuration of activated complexes, treating them as formed by the interstitial atom and the two nearest lattice atoms. The calculations are compared with experimental data reviewed for the diffusivity of carbon in Fe-Cr, Fe-Mn, Fe-Co and Fe-Ni alloys.     

Diffusion of interstitial Mn in the dilute magnetic semiconductor (Ga,Mn)As: the effect of a charge state

Migration barriers for diffusion of interstitial Mn in the dilute magnetic semiconductor (Ga,Mn)As are studied using first-principles calculations. The diffusion pathway goes through two types of interstitial sites: As coordinated and Ga coordinated. The energy profile along the path is found to depend on the ratio of concentrations between substitutional and interstitial Mn in GaAs. Two regions of distinctly different behavior, corresponding to n-type and p-type (Ga,Mn)As, are identified. The difference in mobility is a reflection of the change in the charge state of Mn interstitials (double donors) that occurs in the presence of substitutional Mn impurities (acceptors). In addition, substitutional Mn impurities are shown to act as traps for interstitial Mn. The effective migration barrier for the positively doubly charged Mn interstitials in p-type (Ga,Mn)As is estimated to vary from 0.55 to about 0.95 eV.     

Self-compensation in manganese-doped ferromagnetic semiconductors

We present a theory of interstitial Mn in Mn-doped ferromagnetic semiconductors. Using density-functional theory, we show that under the nonequilibrium conditions of growth, interstitial Mn is easily formed near the surface by a simple low-energy adsorption pathway. In GaAs, isolated interstitial Mn is an electron donor, each compensating two substitutional Mn acceptors. Within an impurity-band model, partial compensation promotes ferromagnetic order below the metal-insulator transition, with the highest Curie temperature occurring for 0.5 holes per substitutional Mn.     

The solubility of substitutional atoms in ordered substitutional-intrestitial solid solutions

The solubility of substitutional impurities in ordered bcc A–B–(C) solid solutions has been calculated in a static approximation. The effect of the energy splitting of geometrically equivalent interstitial sites into interstitial sites of two types during ordering was taken into account. The solubility has been determined as a function of temperature, alloy composition, and long-range order parameter.     

Fe掺杂ZnTe团簇结构和磁性质

本文采用第一性原理密度泛函理论系统的研究了Fe原子单掺杂和双掺杂(ZnTe)12团簇的结构和磁性质。我们考虑了替代掺杂和间隙掺杂。不管是单掺杂还是双掺杂,间隙掺杂团簇都是最稳定结构。团簇磁矩主要来自Fe-3d态的贡献,4s 和4p 态也贡献了一小部分磁矩。由于轨道杂化,相邻的Zn和Te原子上也产生少量自旋。最重要的是,我们指出间隙双掺杂团簇是铁磁耦合,在纳米量子器件有潜在的应用价值。     

Fe掺杂ZnTe团簇结构和磁性质

本文采用第一性原理密度泛函理论系统的研究了Fe原子单掺杂和双掺杂（ ZnTe）12团簇的结构和磁性质。我们考虑了替代掺杂和间隙掺杂。不管是单掺杂还是双掺杂,间隙掺杂团簇都是最稳定结构。团簇磁矩主要来自Fe－3d态的贡献,4s和4p态也贡献了一小部分磁矩。由于轨道杂化,相邻的Zn和Te原子上也产生少量自旋。最重要的是,我们指出间隙双掺杂团簇是铁磁耦合,在纳米量子器件有潜在的应用价值。     

Interstitial protein alterations in rabbit vocal fold with scar

Fibrous and interstitial proteins compose the extracellular matrix of the vocal fold lamina propria and account for its biomechanic properties. Vocal fold scarring is characterized by altered biomechanical properties, which create dysphonia. Although alterations of the fibrous proteins have been confirmed in the rabbit vocal fold scar, interstitial proteins, which are known to be important in wound repair, have not been investigated to date. Using a rabbit model, interstitial proteins decorin, fibromodulin, and fibronectin were examined immunohistologically, two months postinduction of vocal fold scar by means of forcep biopsy. Significantly decreased decorin and fibromodulin with significantly increased fibronectin characterized scarred vocal fold tissue. The implications of altered interstitial proteins levels and their affect on the fibrous proteins will be discussed in relation to increased vocal fold stiffness and viscosity, which characterizes vocal fold scar.