锯齿形板条抽运结构的热效应数值比较

激光二极管抽运的全固态激光器中,除了激光介质的温度分布和热透镜效应以外,抽运、冷却结构对获得高光束质量、高功率激光输出至关重要。基于热传导方程,在相同的抽运功率和传导冷却边界条件下,对单侧面抽运锯齿形(zigzag)板条、单侧面键合锯齿形板条、部分抽运板条三种不同抽运结构的温度分布、热致应力、温度导致的折射率变化进行了详细的分析,并通过光线追迹方法,比较了光束在锯齿形面内和垂直于锯齿形面内的光程差,由光程差曲线分析了激光束的热透镜效应。对三种抽运结构的端面温度、端面变形和端面变形导致的光程差也进行了对比分析。结果表明,三种抽运结构在锯齿形面内的光束均表现为发散特性,在垂直于锯齿形面内的光束表现为热聚焦效应,温度导致的热聚焦特性相差不是很大。而在消除端面效应方面,键合激光板条具有明显优势。最后,提出了热透镜效应的补偿方法。     

Ab initio study of gold-doped zigzag graphene nanoribbons

The electronic transport properties of zigzag graphene nanoribbons (ZGNRs) through covalent functionalization of gold (Au) atoms is investigated by using non-equilibrium Green’s function combined with density functional theory. It is revealed that the electronic properties of Au-doped ZGNRs vary significantly due to spin and its non-inclusion. We find that the DOS profiles of Au-adsorbed ZGNR due to spin reveal very less number of states available for conduction, whereas non-inclusion of spin results in higher DOS across the Fermi level. Edge Au-doped ribbons exhibit stable structure and are energetically more favorable than the center Au-doped ZGNRs. Though the chemical interaction at the ZGNR–Au interface modifies the Fermi level, Au-adsorbed ZGNR reveals semimetallic properties. A prominent qualitative change of the I–V curve from linear to nonlinear is observed as the Au atom shifts from center toward the edges of the ribbon. Number of peaks present near the Fermi level ensures conductance channels available for charge transport in case of Au-center-substituted ZGNR. We predict semimetallic nature of the Au-adsorbed ZGNR with a high DOS peak distributed over a narrow energy region at the Fermi level and fewer conductance channels. Our calculations for the magnetic properties predict that Au functionalization leads to semiconducting nature with different band gaps for spin up and spin down. The outcomes are compared with the experimental and theoretical results available for other materials.     

Dynamic self-organization of migrating cells under constraints by spatial confinement and epithelial integrity

The European Physical Journal E - We consider a microscopic field theoretical approach for interacting active nematic particles. With only steric interactions the self-propulsion strength in such...     

Density functional study of zigzag BN nanotubes with equivalent ends

A density functional theory (DFT) study was performed on representative model of zigzag boron nitride nanotubes (BNNTs) with equivalent ends. Two models of (6,0) BNNTs were considered in the calculations in which a belt composed of carbon atoms was substituted instead of boron and nitrogen atoms in the middle of the nanotube. Hence, model 1 was created with two equivalent B-ends and model 2 was created with two equivalent N-ends. The optimization process and also the calculated electric field gradient (EFG) tensors in two models of BNNT remarkably revealed that the electronic structure properties of those nuclei located at the end of nanotube are duplicated in the considered models of BNNTs. The calculations were performed at the level BLYP method and 6-31G* standard basis set using GAUSSIAN 98 package of program.     

Enhanced mesoscopic correlations in dynamic speckle patterns

We study the temporal evolution of speckle patterns in transmission of short wave pulses through a disordered waveguide. In the diffuse regime, the short-range spatial structure of speckles is the same as for the continuous-wave (cw) illumination, whereas the long-range correlation between distant speckle spots grows linearly with time and can exceed its cw value. We discuss the physical origin of this phenomenon, compare our results to recent microwave experiments, and suggest that a similar linear growth with time should also be characteristic for other mesoscopic interference phenomena.     

A study of atom zigzag chains on the surface of Tungsten

Nishigaki and Nakamura have observed zigzag chains on the central (011) face of tungsten after field evaporation at T #62; 140 K. In this paper, a study of the formation, disappearance and structure of such chains is described. Tungsten tips of small radii down to 60 Å were used. Chains of 3 to 9 spots, that are clearly visible, are found even at 90 K. Four different structure models of the zigzag chains are discussed, including the multibranch model proposed by the Japanese authors. The interpretation of our experimental results shows fairly clearly that the real zigzag chain structure is a special non-dense structure. It must be formed by a local displacement of the tungsten adatoms in the field. Without the field, a zigzag chain is transformed into a two-dimensional cluster of the nearest neighbour atom by a small increase in temperature. If the field is reintroduced, the cluster can revert to the initial zigzag structure. The zigzag structure is interpreted as being caused by forces of repulsion between the atom dipoles.     

锯齿型单壁碳纳米管能隙的第一性原理研究

本文采用基于广义梯度近似(GGA)的第一性原理方法,对锯齿型单壁碳纳米管(7,0)、(8,0)、(9,0)、(12,0)的能带结构和能隙进行理论计算.结果表明,各孤立管能隙值跟紧束缚(TB)近似所推出的结论有很大的出入,但跟实验观测结果比较接近.本文对引起这一差异的原因做了初步探讨.     

Influence of dynamic tissue properties on temperature elevation and lesions during HIFU scanning therapy: Numerical simulation

When large tumors are treated,ablation of the entire volume of tumors requires multiple treatment spots formed by high intensity-focused ultrasound(HIFU)scanning therapy.The heating effect of HIFU on biological tissue is mainly reflected in temperature elevation and tissue lesions.Tissue property parameters vary with temperature and,in turn,the distribution of temperature as well as the heating effects change accordingly.In this study,an HIFU scanning therapy model considering dynamic tissue properties is provided.The acoustic fields and temperature fields are solved combining the Helmholtz wave equation with Pennes bio-heat transfer equation based on the finite element method(FEM)to investigate the effects of various tissue properties(i.e.,the attenuation coefficient,acoustic velocity,thermal conductivity,specific heat capacity,density,and blood perfusion rate)on heating performance.Comparisons of the temperature distribution and thermal lesions under static and dynamic properties are made based on the data of tissue property parameters varying with temperature.The results show that the dynamic changes of thermal conductivity,specific heat capacity,and acoustic velocity may account for the decrease of temperature elevation in HIFU treatment,while the dynamic changes of attenuation coefficient,density,and blood perfusion rate aggravate the increase of temperature on treatment spots.Compared with other properties,the dynamic change of attenuation coefficient has a greater impact on tissue temperature elevation.During HIFU scanning therapy,the temperature elevation and tissue lesions of the first treatment spot are smaller than those of the subsequent treatment spots,but the temperature on the last treatment spot drops faster during the cooling period.The ellipsoidal tissue lesion is not symmetrical;specifically,the part facing toward the previous treatment spot tends to be larger.Under the condition of the same doses,the temperature elevation and the size of tissue lesions under dynamic properties present significant growth in comparison to static properties.Besides,the tissue lesion begins to form earlier with a more unsymmetrical shape and is connected to the tissue lesion around the previous treatment spot.As a result,lesions around all the treatment spots are connected with each other to form a closed lesion region.The findings in this study reveal the influence of dynamic tissue properties on temperature elevation and lesions during HIFU scanning therapy,providing useful support for the optimization of treatment programs to guarantee higher efficacy and safety.     

微通道板动态特性的数值模拟

对皮秒高压脉冲驱动下微通道板中电子的渡越时间特性和增益特性进行了数值模拟,在电压脉冲波形分别为高斯形、三角形和梯形时,得到了电子渡越时间与电压脉冲宽度、幅度的关系曲线。在考虑入射电子为一高斯电子脉冲的情况下,获得了增益曲线的半峰全宽和峰值随脉冲电压幅度、宽度的变化规律。分析结果表明：当微通道板两端所加电压为梯形波时,微通道板中电子的渡越时间特性和增益特性较加三角波和高斯波要好。     

Zigzag型石墨纳米带电子结构和输运性质的第一性原理研究

采用第一性原理电子结构和输运性质计算研究了zigzag型单层石墨纳米带(具有armchair 边缘)的电子结构和输运性质及其边缘空位缺陷效应. 研究发现，完整边缘的zigzag型石墨纳米带是具有一定能隙的半导体带，边缘空位缺陷的存在使得纳米带能隙变小，且缺陷浓度越大，能隙越小，并发生了半导体-金属转变. 利用这些研究结果，将有助于在能带工程中实现其电子结构裁剪.     

Zigzag型石墨纳米带电子结构和输运性质的第一性原理研究

采用第一性原理电子结构和输运性质计算研究了zigzag型单层石墨纳米带(具有armchair 边缘)的电子结构和输运性质及其边缘空位缺陷效应. 研究发现,完整边缘的zigzag型石墨纳米带是具有一定能隙的半导体带,边缘空位缺陷的存在使得纳米带能隙变小,且缺陷浓度越大,能隙越小,并发生了半导体-金属转变. 利用这些研究结果,将有助于在能带工程中实现其电子结构裁剪. 关键词： 石墨纳米带 空位缺陷 电子结构 输运性质     

Molecular dynamic investigation of mechanical properties of armchair and zigzag double-walled carbon nanotubes under various loading conditions

Using molecular dynamic simulation (MDS), effects of chirality and Van der Waals interaction on Young's modulus, elastic compressive modulus, bending, tensile, and compressive stiffness, and critical axial force of double-walled carbon nanotube (DWCNT) and its inner and outer tubes are considered. Achieving the highest safety factor, mechanical properties have been investigated under applied load on both inner and outer tubes simultaneously and on each one of them separately. Results indicate that as a compressive element, DWCNT is more beneficial than single-walled carbon nanotube (SWCNT) since it carries two times higher compression before buckling. Except critical axial pressure and tensile stiffness, in other parameters zigzag DWCNT shows higher amounts than armchair type. Outer tube has lower strength than inner tube; therefore, most reliable design of nanostructures can be attained if the mechanical properties of outer tube taken as the properties of DWCNT.     

A simple capacitor model and first-principles study of carbon-doped zigzag ZnO nanoribbons

Using density-functional-theory calculations, we study electronic and magnetic properties of zigzag ZnO nanoribbons (ZZnONRs) with a single carbon atom substituting O. We find that the formation energy of carbon dopant depends strongly on the position: the carbon atom doped close to O edge is most favorable energetically for H-passivated ZZnONRs, whereas the doped carbon atom prefers to locate near Zn edge on bare ZZnONRs. These features are explained using a simple capacitor model. We also find that the substitutional carbon defect induces spontaneous magnetization and manipulates the electronic properties of ZZnONRs, independent of the ribbon width ($N$). In particular, H-passivated $N$-ZZnONRs ($4<N<9$) exhibit two successive transitions from semiconductor to metal via half-metal as the doping proceeds gradually from O edge to Zn edge.     

六边形格子态斑图的数值模拟

采用双层耦合的Lengel-Epstein模型, 通过改变两子系统图灵模的强度比, 获得了四种的六边形格子态和多种非格子态结构. 模拟结果表明: 反应扩散系统的格子态结构由三套子结构叠加而成, 是两图灵模的波数比和强度比共同作用的结果, 两模的强度比决定了三波共振的具体模式; 另外, 系统选择格子态斑图所需的两图灵模的强度比大于非格子态斑图的强度比; 逐步增加两图灵模强度比, 出现的斑图趋于从复杂到简单变化. 深入研究发现: 不同互质数对(a, b)对应的格子态斑图的稳定性不同, 其中(3, 2)对应的格子态结构最为稳定.     

Laser diffraction by periodic dynamic patterns in anisotropic fluids

This paper describes the application of a laser diffraction technique to the study of electroconvection in nematic liquid crystal cells. It allows a real-time quantitative access to pattern wave lengths and amplitudes. The diffraction profile of the spatial periodic pattern is calculated and compared quantitatively to experimental intensity profiles. For small director tilt amplitudes , the phase grating generated in normally incident undeflected light and the first order term correction from light deflection is derived analytically. It yields an dependence of the diffracted intensity I on the amplitude of director deflections. For larger director tilt amplitudes, phase and amplitude modulations of deflection of light in the inhomogeneous director field are calculated numerically. We apply the calculations to the determination of the director deflection and measure growth and decay rates of the dissipative patterns under periodic excitation. Real time analysis of pattern amplitudes under stochastic excitation is demonstrated.Received: 23 May 2003, Published online: 2 October 2003PACS: 42.70.Df Liquid crystals - 47.20.-k Hydrodynamic stability - 78.20.-e Optical properties of bulk materials and thin films     

动态MTF的数值计算与分析

受振动的影响,在积分时间内,光学系统成像是一个动态过程.对于动态成像,常采用动态调制传递函数(MTF)作为评价振动对像质影响的工具.针对动态MTF,提出一种适用于任意运动形式的数值计算方法,该方法还可以扩展到计算二维运动时的动态MTF.该方法可用于预估和评价动态成像系统的成像质量,计算的结果还可用于运动模糊图像的仿真与...     

First principle study of edge topological defect-modulated electronic and magnetic properties in zigzag graphene nanoribbons

Zigzag graphene nanoribbon(ZGNR) is a promising candidate for next-generation spintronic devices. Development of the field requires potential systems with variable and adjustable electromagnetic properties. Here we show a detailed investigation of ZGNR decorated with edge topological defects(ED-ZGNR) synthesized in laboratory by Ruffieux in 2015[Pascal Ruffieux, Shiyong Wang, Bo Yang, et al. 2015 Nature 531 489]. The pristine ED-ZGNR in the ground state is an antiferromagnetic semiconductor, and the acquired band structure is significantly changed compared with that of perfect ZGNR. After doping heteroatoms on the edge, the breaking of degeneration of band structure makes the doped ribbon a half-semi-metal, and nonzero magnetic moments are induced. Our results indicate the tunable electronic and magnetic properties of ZGNR by deriving unique edge state from topological defect, which opens a new route to practical nano devices based on ZGNR.     

Numerical study of the heat transfer and electro-thermo-convective flow patterns in dielectric liquid layer subjected to unipolar injection

In this article we study the electro-thermal convection in a dielectric liquid layer placed between two electrodes and subjected to the simultaneous action of an electric field and a thermal gradient. The full set of equations describing the electro-thermo-convective phenomena is directly solved using a finite volume method. We first heat the liquid from below at time t = 0, wait for the thermal steady state and then inject the electric charges by applying the electric potential. The development of the electro-convective motion is analysed in detail in two cases: 1) strong injection from the lower electrode, 2) strong injection from the upper one. We also study the heat transfer enhancement due to electro-convection. The evolution in time of the Nusselt number Nu for different combinations of the two usual non-dimensional parameters associated to the electro-thermo-convection phenomena (Rayleigh number Ra and the electrical parameter T) is also given and analysed.