MgB2各向异性光学性质的第一性原理研究

使用密度泛函第一性原理研究了超导体MgB₂单晶各向异性的光学性质.在描述光学性质的基本理论和计算方法的基础上,计算了MgB₂的光电导谱、反射谱以及电子能量损失谱,并通过MgB₂的各个原子分解态密度图对所得到的反射谱和损失谱的各个谱峰做了详尽地分析.从光电导谱上来看,x方向与z方向有着很大差别,而在反射谱与电子能量损失谱中,x方向与z方向的特征峰位置都是相互符合的.从光导谱来看,沿 关键词： 超导体 电子结构 光学性质     

N掺杂锐钛矿TiO2光学性能的第一性原理研究

用平面波赝势方法(PWP)计算了N掺杂锐钛矿型TiO₂前后的光学特性,即介电函数虚部ε₂(ω)，光学吸收系数I(ω)和反射率R(ω). 并从能带结构上解释了为什么掺N后锐钛矿型TiO₂的光学谱在2.93，3.56和3.97eV处相对掺杂前会出现3个峰值的原因. 从光谱图上分析得出，掺杂后TiO₂要发生红移现象，实验现象证实了这一结果. 关键词： N掺杂 2')" href="#">锐钛矿型TiO₂ 光学性能 第一性原理     

镁基合金自由枝晶生长的相场模拟研究

利用定量相场模型, 以Mg-0.5 wt.%Al合金为例模拟了基面((0001)面)内镁基合金的等温自由枝晶生长过程. 通过研究该合金体系数值模拟的收敛性, 获得了最优化值耦合参数λ = 5.5及网格宽度Δx/W₀ = 0.4, 并在该参数下系统研究了各向异性强度和过饱和度对枝晶尖端生长速度、尖端曲率半径、Péclet数及稳定性常数σ^* 的影响. 结果表明, 由微观可解性理论得到的稳定性系数σ^* 与ε₆ 拟合值σ^*≅ ε₆ ^1.81905, 更接近理想值σ ^* (ε₆) ≅ε₆ ^1.75. 此外, 当过饱和度Ω < 0.6时, 稳定性系数σ ^* 不随ε₆ 的变化而变化, 而当Ω > 0.6时, 稳定性系数σ ^* 随着ε₆ 的增加而减小. 这反映了枝晶的生长由扩散控制向动力学控制的转变. 随着过饱和度的增加, 枝晶形貌由雪花状枝晶向圆状枝晶转变.     

纳米金属镝的传导电子定域化

研究不同粒径的稀土金属镝(Dy)纳米晶块体材料的电阻率随温度的变化. 电阻率包括剩余电阻率ρ_res=ρ(0)、磁散射电阻率ρ_mag(T)和声子散射电阻率ρ_pho(T). 样品的平均粒径分别为10,30,100和1000 nm. 实验发现磁散射电阻率ρ_mag(T)和声子散射电阻率ρ_{pho 关键词： 镝金属电性 定域化 能带论 无序}     

有限深两层流体中内孤立波造波实验及其理论模型

将置于大尺度密度分层水槽上下层流体中的两块垂直板反方向平推, 以基于 Miyata-Choi-Camassa (MCC)理论解的内孤立波诱导上下层流体中的层平均水平速度作为其运动速度, 发展了一种振幅可控的双推板内孤立波实验室造波方法. 在此基础上, 针对有限深两层流体中定态内孤立波 Korteweg-de Vries (KdV), 扩展KdV (eKdV), MCC和修改的Kdv (mKdV)理论的适用性条件等问题, 开展了系列实验研究.结果表明, 对以水深为基准定义的非线性参数ε 和色散参数μ, 存在一个临界色散参数μ₀, 当μ < μ₀ 时, KdV理论适用于ε ≤μ 的情况, eKdV理论适用于μ < ε ≤√μ 的情况, 而MCC理论适用于ε > √μ 的情况, 而且当μ ≥μ₀ 时MCC理论也是适用的.结果进一步表明, 当上下层流体深度比并不接近其临界值时, mKdV理论主要适用于内孤立波振幅接近其理论极限振幅的情况, 但这时MCC理论同样适用.本项研究定量地表征了四类内孤立波理论的适用性条件, 为采用何种理论来表征实际海洋中的内孤立波特征提供了理论依据. 关键词： 两层流体 内孤立波 双板造波 临界色散参数     

MgF2单晶的THz光谱研究

利用THz时域光谱技术对MgF₂晶体(样品1)和MgF₂：Co晶体(样品2)在0.5—2.5 THz的吸收特性进行了研究.在0.5—2.5 THz波段，样品1吸收系数α(ν)随频率ν增加而增大，最大值为24 cm^-1.样品2的吸收系数比样品1大得多，Co掺杂使晶格吸收带边向低频移动，而且样品2在1.9 THz有吸收峰，吸收系数达到70 cm^-1，由此求出F^--Co²⁺离子键伸缩振动的键力常数K为3.40×10^-2　N/cm.这一结果表明，THz光谱分析有可能成为研究晶体化学键的一种重要手段.利用光学常数之间的关系计算了两个样品在0.5—2.5 THz的介电函数的实部ε₁(ν)，得到样品1的ε₁(ν)值在4.67至4.73之间，样品2的ε₁(ν)值在4.62至5.01之间. 关键词： THz辐射 光谱 2晶体')" href="#">MgF₂晶体     

波浪破碎湍流混合研究综述

波浪破碎及其湍流混合研究一直是物理海洋学具有挑战性的问题. 文章系统综述了自20世纪90年代以来, 波浪破碎混合观测及其模式化研究方面取得的主要进展: 1)波浪破碎湍流混合不能用经典的海气边界层Wall-layer相似性理论进行描述. 波浪破碎能够在近海面几米的深度范围内形成湍流混合的增强层, 所产生的湍流动能耗散率ε_dis是Wall-layer相似性理论预测结果的10-1000倍. 2)波浪破碎湍流动能耗散率在波峰区域ε_dis∝z^-2.3, 而在波谷以下区域ε_dis∝exp(-αz)或ε_dis∝z^-2. 3)湍流混合长度是刻画波浪破碎混合非常重要的物理量, 但迄今为止对波浪破碎湍流混合长度l的量化研究存在较大差异, l从0.1 H_s到H_s(H_s为有效波高). 如何确定波浪破碎湍流混合长度的定量表示是今后需要亟待解决的重要问题. 关键词： 波浪破碎 湍流动能耗散率 湍流混合长度     

染料敏化太阳电池中TiO2膜内电子传输和背反应特性研究

采用强度调制光电流谱(IMPS)和强度调制光电压谱(IMVS)研究电池内部电子传输机理和电子背反应动力学特性.利用理论表达式对不同TiO₂多孔膜厚度(d)的电池实验数据进行了拟合,得到了电池的吸收系数(α)、电子扩散系数(D_n)、电子寿命(τ_n)、电子传输时间(τ_d)和入射单色光光电转化效率(IPCE)等微观参数的数值.研究表明：膜薄有利于加快电子传 关键词： 染料敏化 太阳电池 IMPS/IMVS 传输     

部分相干平顶光束通过湍流大气传输的等效曲率半径

推导出了部分相干平顶光束在湍流大气中传输的等效曲率半径的解析表达式,详细地研究了湍流对其等效曲率半径的影响.研究表明,湍流使得等效曲率半径R减小,但是只有当湍流足够强时等效曲率半径极小值出现的位置z_min才会改变.在弱湍流中,R随着光束相干长度β的增大而增大;但是在强湍流中,R随着β的增大而减小.R随着光束阶数M(N)的增大而缓慢减小.若β越大、 关键词： 等效曲率半径 湍流 部分相干平顶光束     

欧拉圆盘不同能量耗散机理之间的关联

本文研究了欧拉圆盘运动过程中盘厚度以及盘面与水平面夹角α两因素对能量耗散的影响. 得出圆盘厚度与直径之比x对能量变化中各项因子的影响: x很小时, 质心在竖直方向上的动能变化和重力势能变化是系统能量耗散的主要因素; 当x>0.4142时, 圆盘绕与之平行的轴的转动动能变化成为主要因素, 并给出圆盘厚度可忽略的条件. 模拟了滚动摩擦、空气黏滞等不同能量耗散方式与x,α的关系, 导出各种耗散方式在圆盘运动的过程中的转变规律, 并指出x=0.1733, α>18°时能量耗散形式为纯滚动摩擦, 这修正了文献[26]结论.     

氦泡对铝的弹性性质的影响

主要利用分子动力学方法模拟计算了含氦泡的铝的弹性性质,首先,应用第一性原理的方法计算了Al-He的相互作用势.其次,从两个不同的方面研究了氦泡对铝弹性常数的影响,一是不同的氦泡尺寸(直径分别是16, 20, 25, 30和3.5nm),二是不同的氦泡压力(即固定氦泡大小,氦泡内氦原子的个数与空位的比分别大约是5％,15％,45％ 和85％).结果表明弹性常数随着氦泡半径的增大而减小,对于固定大小的氦泡,随着氦泡内的压力变化弹性常数基本保持恒定.最后通过建立弹性复合体模型,得到的解析解定性上解释了氦泡的大小以及内压对铝的弹性常数的影响,与分子动力学模拟结果吻合. 关键词： 辐照损伤 氦泡 分子动力学 弹性常数     

Numerical simulation of transitional flow on a wind turbine airfoil with RANS-based transition model

This paper presents a numerical investigation of transitional flow on the wind turbine airfoil DU91-W2-250 with chord-based Reynolds number Re_c = 1.0 × 10⁶. The Reynolds-averaged Navier–Stokes based transition model using laminar kinetic energy concept, namely the k ? k_L ? ω model, is employed to resolve the boundary layer transition. Some ambiguities for this model are discussed and it is further implemented into OpenFOAM-2.1.1. The k ? k_L ? ω model is first validated through the chosen wind turbine airfoil at the angle of attack (AoA) of 6.24° against wind tunnel measurement, where lift and drag coefficients, surface pressure distribution and transition location are compared. In order to reveal the transitional flow on the airfoil, the mean boundary layer profiles in three zones, namely the laminar, transitional and fully turbulent regimes, are investigated. Observation of flow at the transition location identifies the laminar separation bubble. The AoA effect on boundary layer transition over wind turbine airfoil is also studied. Increasing the AoA from ?3° to 10°, the laminar separation bubble moves upstream and reduces in size, which is in close agreement with wind tunnel measurement.     

Interfacial Area Transport Equation for Bubble Coalescence and Breakup: Developments and Comparisons

Bubble coalescence and breakup play important roles in physical-chemical processes and bubbles are treated in two groups in the interfacial area transport equation (IATE). This paper presents a review of IATE for bubble coalescence and breakup to model five bubble interaction mechanisms: bubble coalescence due to random collision, bubble coalescence due to wake entrainment, bubble breakup due to turbulent impact, bubble breakup due to shearing-off, and bubble breakup due to surface instability. In bubble coalescence, bubble size, velocity and collision frequency are dominant. In bubble breakup, the influence of viscous shear, shearing-off, and surface instability are neglected, and their corresponding theory and modelling are rare in the literature. Furthermore, combining turbulent kinetic energy and inertial force together is the best choice for the bubble breakup criterion. The reviewed one-group constitutive models include the one developed by Wu et al., Ishii and Kim, Hibiki and Ishii, Yao and Morel, and Nguyen et al. To extend the IATE prediction capability beyond bubbly flow, two-group IATE is needed and its performance is strongly dependent on the channel size and geometry. Therefore, constitutive models for two-group IATE in a three-type channel (i.e., narrow confined channel, round pipe and relatively larger pipe) are summarized. Although great progress in extending the IATE beyond churn-turbulent flow to churn-annual flow was made, there are still some issues in their modelling and experiments due to the highly distorted interface measurement. Regarded as the challenges to be addressed in the further study, some limitations of IATE general applicability and the directions for future development are highlighted.     

AsH(X3Σ－)及AsH2(X2B1)自由基的分子结构与解析势能函数

运用Gaussian 03程序包中的单双迭代三重激发耦合簇理论和相关一致五重基优化了AsH₂的基态结构,并在优化结构的基础上计算了它的离解能和振动频率. 结果表明：AsH₂基态的平衡构型具有C_2v对称性,键长R_As-H=01508 nm,键角∠HAsH=912231°,离解能D_e(HAs-H)=28795 eV,振动频率ν 关键词： 2')" href="#">AsH₂ Murrell-Sorbie函数 多体项展式理论 解析势能函数     

测量单泡声致发光中气泡R(t)曲线的前向Mie散射技术

光干涉原理和Mie理论计算结果表明,单泡声致发光中气泡前向Mie散射的振荡信号,主要是由于气泡的透射光束和表面反射光束之间光干涉产生的. 这些干涉波峰形成了测量气泡半径的空间标尺,标尺的单位长度δR由散射角θ,检测光波波长和流体光折射率确定,而每个波峰就是标尺的刻线,它们与该时刻的气泡半径大小一一对应. 在30°—50°散射角范围内,利用前向Mie散射实验测定了单泡声致发光中气泡的最大半径,R(t)曲线及平衡半径,表明前向Mie散射是一种便捷的测定气泡运动特性的有效方法. 关键词： 单泡声致发光 前向Mie散射 光干涉     

Near-surface turbulence in the atmospheric boundary layer

Measurements of the near-surface turbulence in the atmospheric boundary layer have been made using hot-wire probes above the salt flats of northwestern Utah, where the momentum thickness Reynolds number, R_θ, is O(10⁶), and the surface is smooth and nearly devoid of flow obstructions. The measurements were made with arrays of up to 24 parallel straight sensors and with a modular 12-sensor probe capable of measuring all of the components of the instantaneous velocity vector and velocity gradient tensor. Measurements were also made in a laboratory wind tunnel at R_θ=1730 using 22 straight sensors. The data analysis focuses on the effects of the Reynolds number on turbulence properties and on the physics of the dissipation rate of turbulent kinetic energy.Some properties are found to be dependent on the Reynolds number when normalized with inner variables, while others are not. Among those that show the significant Reynolds number dependence are the rms and the skewness factor of the streamwise velocity fluctuations.Significant differences in flow structure, particularly those related to high rates of dissipation, are implied by the data. The joint PDF and covariance integrand of streamwise and wall normal vorticity fluctuations show less preferred orientation of the vorticity vector in the buffer layer at R_θ of O(10⁶) than at R_θ=1070. The largest contribution to the dissipation rate, at O(10⁶) is by the ∂w/∂z velocity gradient, while this term makes a quite small contribution to the dissipation rate at low R_θ. Here w and z are the spanwise velocity fluctuations and direction, respectively. Conditional analysis in the streamwise-wall normal (x−y) plane based on high instantaneous dissipation rate shows that the typical high dissipation rate events are generally similar at high and low Reynolds numbers, but display some significant differences.     

On the relationship between the gradient and the bulk Richardson number for the atmospheric surface layer

Summary Semi-empirical formulations which have been proposed to describe the wind and potential temperature profiles are used to derive relationships between the gradient Richardson number, Ri, the finite-difference layer Richardson number, Ri_b, the surface layer Richardson number, Ri_s, and the bulk Richardson number,B, through the atmospheric surface layer. The theoretical analysis for stable conditions indicates that Ri (z ₃)=Ri_b, wherez ₃=(z ₂−z ₁)/ln(z ₂/z ₁), andz ₂;z ₁=upper and lower levels at which temperature and wind speed are specified. It is also found that, during stable conditions, the wind profile power law exponent,p, is computed at the heightz ₃, instead of the widely used geometric mean height,z _m, between top (z ₂) and bottom (z ₁) of the layer considered.     

Understanding and modeling turbulent fluxes and entrainment in a gravity current

We present an experimental study of the mixing processes in a gravity current flowing on an inclined plane. The turbulent transport of momentum and density can be described in a very direct and compact form by a Prandtl mixing length model: the turbulent vertical fluxes of momentum and density are found to scale quadratically with the vertical mean gradients of velocity and density. The scaling coefficient, the square of the mixing length, is approximately constant over the mixing zone of the stratified shear layer. We show how, in different flow configurations, this length can be related to the shear length of the flow (ε/∂_zu³)^1/2. We also study the fluctuations of the momentum and density turbulent fluxes, showing how they relate to mixing and to the entrainment/detrainment balance. We suggest a quantitative measure of local entrainment and detrainment derived from observed conditional correlations of density flux and density or vertical velocity fluctuations.     

Positron annihilation study of helium clustering in alpha irradiated copper

Abstract

Helium clustering in alpha irradiated copper has been investigated by positron annihilation spectroscopy. Pure copper samples have been homogeneously helium implanted using a cyclotron, yielding helium concentrations of 100 appm and 400 appm. Post-implantation positron lifetime and Doppler broadened annihilation lineshape measurements have been carried out on these Cu samples as a function of isochronal annealing temperature. An annealing stage observed in the isochronal annealing curve viz., a marked reduction in the resolved lifetime τ₂ and an increase of its intensity I ₂, is explained as due to the formation of helium bubble embryos. At higher annealing temperatures, τ₂ corresponding to helium bubbles increases and saturates while its intensity I ₂ decreases, indicating an increase in the size of the bubble with a concomitant decrease in the bubble concentration. This stage is interpreted to be the bubble growth stage. From an analysis of positron lifetime parameters in the growth stage, helium stom density, bubble size and bubble concentration have been deduced at various annealing temperatures. The bubble characteristics are found to be affected by the helium dose. The present results on direct helium implanted Cu are compared with those of our earlier study on n-irradiated Cu-B, where helium was introduced using ¹⁰B(n, α)⁷ Li reaction.     

Experimental investigation of the collapse of laser-generated cavitation bubbles near a solid boundary

The oscillation of a laser-generated single cavitation bubble near a solid boundary is investigated by a fiber-optic diagnostic technique based on optical beam deflection (OBD). The maximum bubble radii and collapse time for each oscillation cycle are determined from a sequence of bubble oscillations. Furthermore, by combining the revised Rayleigh theory, the prolongation factor κ at different dimensionless parameter γ (γ=L/R_max, where R_max is the maximum bubble radius and L is the distance of a cavity inception point from a boundary) is obtained. In addition, the prolongation factor of the collapse time versus laser energy is also derived, which are valuable in the fields of hydraulic cavitation, laser lithotripsy and laser ophthalmology.