Vector spherical wave function truncation in the invariant imbedding T-matrix method.

Both the computational costs and the accuracy of the invariant-imbedding T-matrix method escalate with increasing the truncation number N at which the expansions of the electromagnetic fields in terms of vector spherical harmonics are truncated. Thus, it becomes important in calculation of the single-scattering optical properties to choose N just large enough to satisfy an appropriate convergence criterion; this N we call the optimal truncation number. We present a new convergence criterion that is based on the scattering phase function rather than on the scattering cross section. For a selection of homogeneous particles that have been used in previous single-scattering studies, we consider how the optimal N may be related to the size parameter, the index of refraction, and particle shape. We investigate a functional form for this relation that generalizes previous formulae involving only size parameter, a form that shows some success in summarizing our computational results. Our results indicate clearly the sensitivity of optimal truncation number to the index of refraction, as well as the difficulty of cleanly separating this dependence from the dependence on particle shape.

Improvements in the computational efficiency and convergence of the Invariant Imbedding T-matrix method for spheroids and hexagonal prisms.

The invariant-imbedding T-matrix (II-TM) method is a numerical method for accurately computing the single-scattering properties of dielectric particles. Because of the linearity of Maxwell's equations, the incident electric field and the scattered electric field can be related through a transition matrix (T-Matrix). The II-TM method computes the T-matrix through a matrix recurrence formula which stems from an electromagnetic volume integral equation. The recurrence starts with an inscribed sphere within the particle and ends with the circumscribed sphere of the particle. For each iteration, a matrix known as the U-matrix is computed with the Gauss Legendre (GL) quadrature, and matrix inversion is subsequently performed to obtain the T-matrix corresponding to the portion of the particle enclosed by the spherical shell. We modify a commonly used scheme to avoid applying the quadrature scheme to discontinuities. Moreover, we apply a new scheme to generate nodes and weights in conjunction with the GL quadrature. This leads to a considerable improvement on convergence and computational efficiency in the cases of hexagonal prisms and spheroids. The basic shapes of ice crystals in the atmosphere are hexagonal columns and plates. The single-scattering properties of hexagonal ice prisms are important to atmospheric optics, radiative transfer, and remote sensing. We demonstrate that the present approach can significantly accelerate the convergence in simulating light scattering by hexagonal ice crystals.

First-principles modeling of electromagnetic scattering by discrete and discretely heterogeneous random media.

A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell-Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of the first-principles formalism enabling accurate calculations of monochromatic and quasi-monochromatic scattering by static and randomly varying multiparticle groups. We illustrate how this general framework can be coupled with state-of-the-art computer solvers of the Maxwell equations and applied to direct modeling of electromagnetic scattering by representative random multi-particle groups with arbitrary packing densities. This first-principles modeling yields general physical insights unavailable with phenomenological approaches. We discuss how the first-order-scattering approximation, the radiative transfer theory, and the theory of weak localization of electromagnetic waves can be derived as immediate corollaries of the Maxwell equations for very specific and well-defined kinds of particulate medium. These recent developments confirm the mesoscopic origin of the radiative transfer, weak localization, and effective-medium regimes and help evaluate the numerical accuracy of widely used approximate modeling methodologies.

The effective equivalence of geometric irregularity and surface roughness in determining particle single-scattering properties.

This study investigates the effects of geometric irregularity and surface roughness on the single-scattering properties of randomly oriented dielectric particles. Starting from a regular crystal with smooth faces, effects of roughening are compared with effects of perturbing the regular configuration of the smooth faces. Using the same slope distribution for small roughness facets and tilted faces provides a natural way to compare the effects on the single-scattering properties. It is found that the geometric irregularity and surface roughness have similar effects on the single-scattering properties of an ensemble of randomly oriented particles. In other words, particles with irregular geometries and those with surface roughness are optically equivalent if the slope distributions are the same. Furthermore, an ensemble of particles with irregular geometries can be used as an effective approximation for simulation of the scattering properties of roughened particles, and vice versa. This approach also provides new interpretation of the observed, relatively featureless and smooth, scattering phase functions of naturally occurring particles.

Modeling the scattering properties of mineral aerosols using concave fractal polyhedra.

The single-scattering properties of concave fractal polyhedra are investigated, with particle size parameters ranging from the Rayleigh to geometric-optics regimes. Two fractal shape parameters, irregularity and aspect ratio, are used to iteratively construct "generations" of irregular fractal particles. The pseudospectral time-domain (PSTD) method and the improved geometric-optics method (IGOM) are combined to compute the single-scattering properties of fractal particles over the range of size parameters. The effects of fractal generation, irregularity, and aspect ratio on the single-scattering properties of fractals are investigated. The extinction efficiency, absorption efficiency, and asymmetry factor, calculated by the PSTD method for fractal particles, with small-to-moderate size parameters, smoothly bridges the gap between those size parameters and size parameters for which solutions given by the IGOM may be used. Somewhat surprisingly, excellent agreement between values of the phase function of randomly oriented fractal particles calculated by the two numerical methods is found, not only for large particles, but in fact extends as far down in equivalent-projected-area size parameters as 25. The agreement in the case of other nonzero phase matrix elements is not as good at so small a size. Furthermore, the numerical results of ensemble-averaged phase matrix elements of a single fractal realization are compared with dust particle measurements, and good agreement is found by using the fractal particle model to represent data from a study of feldspar aerosols.

Application of a discontinuous Galerkin time domain method to simulation of optical properties of dielectric particles.

We applied a discontinuous Galerkin time domain (DGTD) method, using a fourth-order Runga-Kutta time stepping of the Maxwell equations, to the simulation of the optical properties of dielectric particles in two-dimensional (2D) geometry. As examples of the numerical implementation of this method, the single-scattering properties of 2D circular and hexagonal particles are presented. In the case of circular particles, the scattering phase matrix was computed using the DGTD method and compared with the exact solution. For hexagonal particles, the DGTD method was used to compute single-scattering properties of randomly oriented 2D hexagonal ice crystals, and results were compared with those calculated using a geometric optics method. We consider both shortwave (visible) and longwave (infrared) cases, with particle size parameters 50 and 100. In the hexagonal case, scattering results are also presented as a function of both incident and scattering angles, revealing a structure apparently not reported before. Using the geometric optics method, we are able to interpret this structure in terms of contributions from varying numbers of internal reflections within the crystal.