取向比对椭球气溶胶粒子散射特性的影响

利用T矩阵和离散坐标法研究了取向比对椭球粒子散射特性的影响, 计算了小尺度范围内椭球粒子的散射特征参量, 包括消光效率因子、不对称因子、单次散射反照率、散射相矩阵及双向反射函数(BRDF). 结果表明, 椭球粒子的散射特性与取向比密切相关, 粒子取向比会影响散射参量的振荡频率和振幅, 与球形粒子散射参量的相对差异也呈周期振荡趋势. 研究还发现, 某些特殊粒子尺寸的散射参量与粒子取向比基本无关. 在多次散射条件下, 分析不同取向比粒子群的BRDF随反射角和光学厚度的变化特性. 结果显示: 不同取向比粒子群的BRDF随反射角的变化趋势基本一致, 球形粒子群比非球形粒子群的BRDF曲线波动振幅更大; 球形-非球形粒子的BRDF相对差异随光学厚度和取向比的增大而减小, 随入射角的增大而增大.     

Computation of Electromagnetic Properties of Molecular Ensembles

We outline a methodology for efficiently computing the electromagnetic response of molecular ensembles. The methodology is based on the link that we establish between quantum-chemical simulations and the transfer matrix (T-matrix) approach, a common tool in physics and engineering. We exemplify and analyze the accuracy of the methodology by using the time-dependent Hartree-Fock theory simulation data of a single chiral molecule to compute the T-matrix of a cross-like arrangement of four copies of the molecule, and then computing the circular dichroism of the cross. The results are in very good agreement with full quantum-mechanical calculations on the cross. Importantly, the choice of computing circular dichroism is arbitrary: Any kind of electromagnetic response of an object can be computed from its T-matrix. We also show, by means of another example, how the methodology can be used to predict experimental measurements on a molecular material of macroscopic dimensions. This is possible because, once the T-matrices of the individual components of an ensemble are known, the electromagnetic response of the ensemble can be efficiently computed. This holds for arbitrary arrangements of a large number of molecules, as well as for periodic or aperiodic molecular arrays. We identify areas of research for further improving the accuracy of the method, as well as new fundamental and technological research avenues based on the use of the T-matrices of molecules and molecular ensembles for quantifying their degrees of symmetry breaking. We provide T-matrix-based formulas for computing traditional chiro-optical properties like (oriented) circular dichroism, and also for quantifying electromagnetic duality and electromagnetic chirality. The formulas are valid for light-matter interactions of arbitrarily-high multipolar orders.     

随机取向双层椭球粒子偏振散射特性研究

基于T矩阵方法,给出了随机取向、轴对称、含核椭球粒子的散射计算方法.散射体的核和外壳均可为非球形粒子,整个粒子具有轴对称性.以含核椭球粒子为模型,计算了含有吸收性内核(黑炭,black carbon)的水凝物气溶胶的散射特性,分析了核的大小、形状对消光系数、散射系数、吸收系数、不对称因子、单次散射反照率以及Muller矩阵等的影响. 关键词： 光散射 T矩阵 Muller矩阵 椭球粒子     

A T-matrix method and computer code for randomly oriented, axially symmetric coated scatterers

A computer code is described for the calculation of light-scattering properties of randomly oriented, axially symmetric coated particles, in the framework of the T-matrix theory. The underlying mathematical background is outlined briefly and convergence procedures are discussed. After outlining the input-output interaction between user and code, benchmark results are presented for two distinct shapes: coated, centered spheroids and offset coated spheres.     

水下任意刚性散射体对Bessel波的散射特性分析

本文利用Bessel波的谐波展开式, 采用T矩阵方法的推导思路, 建立了水下任意刚性散射体在Bessel波照射下的声散射场计算公式. 以水下刚性椭球体和两端附连半球的刚性圆柱体为例, 计算了在不同波锥角β 下的反向散射形态函数, 同时, 依据镜反射波和绕行波的干涉物理模型, 给出了预报Bessel波照射下的反向散射形态函数峰峰间隔值的计算模型. 仿真结果表明本文提出的Bessel波照射下反向散射形态函数峰峰间隔值预报方法是准确有效的, 同时也说明, 本文建立的基于T矩阵法计算水下任意刚性散射体在Bessel波束下的声散射场方法是有效的, 这拓展了T矩阵法的应用领域.     

Spectral Dependence of Quasi-Rayleigh Polarization Leap of Nonspherical Particles: Polystyrene Beads Application

Solid particles in Earth’s atmosphere, such as polystyrene beads, are an important factor affecting the processes of absorption and scattering of light in the atmosphere. These processes affect on the solar energy transfer in the Earth’s atmosphere, consequently they have influence on the regional and global climate changes and atmospheric visibility. In particular, great interest to study the scattering properties of small particles compared with wavelength, because of such particles experience low gravitational settlement and may have long time of life in the atmosphere. When scattering particle is much smaller than the wavelength of the scattered or absorbed light, this is the case of Rayleigh scattering. Scattering properties of these particles (such as intensity and the degree of linear polarization) at the Rayleigh scattering are simply derived from electromagnetic Maxwell’s equations. But when the particles are large enough to be comparable with the wavelength, the deviations from Rayleigh scattering law are observed. One of the clear manifestations of such deviations is the recently discovered quasi-Rayleigh polarization leap of monodisperse spherical particles. This quasi-Rayleigh polarization leap allows remote sensing of the sizes of distant particles, based on the spectral position of quasi-Rayleigh polarization leap at different phase angles of observation. In this paper, we studied the effect of the non-sphericity of a scattering polystyrene particle on the magnitude and position of the quasi-Rayleigh polarization leap. It is established that the non-sphericity shifts the position of the quasi-Rayleigh polarization leap shorter wavelengths. It is shown that for non-sphericity of particles makes the quasi-Rayleigh polarization leap becomes less pronounced. Moreover, it was found, that increasing of the phase angle and degree of non-sphericity shift the quasi-Rayleigh polarization leap position to shorter wavelength. However, in the case of not very elongated particles, the quasi-Rayleigh polarization leap is quite well manifested. Therefore, this method is suitable for remote sensing not only the size, but also the degree of non-sphericity of the scattering particles. A simple formula has been obtained for polystyrene beads that relates the degree of non-sphericity of a particle with the wavelength and phase angles at which the quasi-Rayleigh polarization leap is observed.     

On the extinction multipole plasmons in gold nanorods

On the basis of the T-matrix formalism and numerical simulations, we derive an explicit rule for partial multipole contributions to the plasmon resonances of gold nanorods at a fixed or random orientation. The parity of a given spectral resonance number n coincides with the parity of their multipole contributions l, where l is equal to or greater than n, and the total resonance magnitude is determined by the lowest multipole contribution. We also investigate the dependence of multipole plasmons on the size, shape, and orientation of nanorods with respect to the polarized incident light. It is shown that the multipole resonance wavelengths as a function of the aspect ratio divided by the resonance number collapse onto one linear scaling curve. This scaling is explained by using the plasmon standing wave concept introduced by Schider et al. [Plasmon dispersion relation of Au and Ag nanowires. Phys Rev B 2003;68:155427].     

On the far field in the Lorenz-Mie theory and T-matrix formulation

The far field within the context of the Lorenz-Mie theory and the T-matrix formulation is usually expressed on the basis of the asymptotic properties of vector spherical waves. The radiation condition is taken into account by employing proper vector spherical functions as the expansion basis of the scattered field. The asymptotic behavior of the Hankel function is obtained from differential equations. The asymptotic far field can also be obtained from the Kirchhoff surface integral equation, in which the radiation condition has been implemented when it is derived from the Maxwell equations. This note is to present an explicit establishment of the relationship between the asymptotic far field and the near field in the Lorenz-Mie theory and the T-matrix formulation through the Kirchhoff surface integral.     

Extended calculation of polarization and intensity of fractal aggregates based on rigorous method for light scattering simulations with numerical orientation averaging

The intensity and polarization of fractal aggregates have been investigated using both rigorous and approximate methods for light scattering simulations. However, previous studies using the analytical orientation averaging version of the rigorous method were generally limited to a few hundred monomers when the monomer size parameter was around 1.7. In this study, we propose using numerical orientation averaging instead of analytical orientation averaging. The numerical averaging is performed together with a fixed orientation version of the rigorous T-matrix method for clusters of spheres. This approach enables increasing the number of monomers by a factor of 2-7 or the size of monomers by a factor of 8-10 compared to the analytical orientation averaging version.We investigated the influence of monomer size and the number of monomers on the light scattering of silicate aggregates (refractive index m=1.68+0.03i) for incident light with a wavelength of . We considered ballistic particle-cluster aggregates (BPCA) and ballistic cluster-cluster aggregates (BCCA) composed of 128, 256, 512, and 1024 monomers with radii between 0.11 and .Our results show that the size of monomers plays an important role in reproducing the negative polarization branch for all the BPCA and BCCA. Silicate aggregates with the monomer radius of less than contribute to reproducing the negative polarization branch, while aggregates with monomers larger than do not have the negative polarization branch. Polarization oscillation with scattering angle occurs for larger monomers (i.e., monomer radius ).The maximum polarization decreases for increasing monomer radius between 0.11 and . However, the negative polarization branch is generally enhanced for monomer radii up to around , and reduced for further increase of monomer size.The number of monomers also has a large influence on the negative polarization branch in the case of BPCA. The increase in the number of monomers from 128 to 1024 shifts the scattering angle of minimum polarization to larger angles for BPCA. In addition, the increase in the number of monomers reduces the values of negative polarization for BPCA while the variation with the number of monomers for BCCA is small and is not monotonic.     

V型纳米金球阵列天线侧向散射方向性的数值模拟

纳米天线侧向散射的方向性在生物感测以及表面增强光谱学等领域都有重要研究价值。侧向散射方向性的产生需要破坏纳米天线相对于平面波极化方向的镜像对称,由纳米粒子阵列构成的纳米天线排列灵活,易于实现非镜像对称结构。采用T-matrix方法对V型纳米金球阵列天线进行数值模拟,研究了其侧向散射的方向性,分别讨论了不同阵元数目构成的不同臂长、不同臂间开角、不同球形阵元半径、不同阵元球心间距对V型天线侧向散射方向性的影响。研究表明V型纳米阵列天线具有侧向散射方向性的可调性。