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The Weyl expansion technique, also known as the angular spectrum expansion, expresses an outgoing spherical wave as a linear combination of plane waves. The scalar spherical waves are the solutions of the homogeneous Helmholtz equation and therefore have direct relation to the scalar multipole fields. This paper gives the Weyl expansion of multipole fields, scalar and vector, of any degree and order for spherical wave functions. The expressions are given in closed form for the scalar, ψℓm(τ)$$ {\psi}_{\mathit{\ell m}}^{\left(\tau \right)} $$, and vector, Mℓm(τ),Nℓm(τ)$$ {\mathbf{M}}_{\mathit{\ell m}}^{\left(\tau \right)},{\mathbf{N}}_{\mathit{\ell m}}^{\left(\tau \right)} $$, Lℓm(τ)$$ {\mathbf{L}}_{\mathit{\ell m}}^{\left(\tau \right)} $$, multipole fields, evaluated across a plane orthogonal to any given direction. In the case of scalar spherical multipoles, the spherical gradient operator has been used, while for the vector spherical multipoles, the vector spherical wave operator has been constructed. [ABSTRACT FROM AUTHOR]

Background: Geometric distortion is a serious problem in MRI, particularly in MRI guided therapy. A lack of affordable and adaptable tools in this area limits research progress and harmonized quality assurance. Purpose: To develop and test a suite of open‐source hardware and software tools for the measurement, characterization, reporting, and correction of geometric distortion in MRI. Methods: An open‐source python library was developed, comprising modules for parametric phantom design, data processing, spherical harmonics, distortion correction, and interactive reporting. The code was used to design and manufacture a distortion phantom consisting of 618 oil filled markers covering a sphere of radius 150 mm. This phantom was imaged on a CT scanner and a novel split‐bore 1.0 T MRI magnet. The CT images provide distortion‐free dataset. These data were used to test all modules of the open‐source software. Results: All markers were successfully extracted from all images. The distorted MRI markers were mapped to undistorted CT data using an iterative search approach. Spherical harmonics reconstructed the fitted gradient data to 1.0 ± 0.6% of the input data. High resolution data were reconstructed via spherical harmonics and used to generate an interactive report. Finally, distortion correction on an independent data set reduced distortion inside the DSV from 5.5 ± 3.1 to 1.6 ± 0.8 mm. Conclusion: Open‐source hardware and software for the measurement, characterization, reporting, and correction of geometric distortion in MRI have been developed. The utility of these tools has been demonstrated via their application on a novel 1.0 T split bore magnet. [ABSTRACT FROM AUTHOR]

The multilevel fast multipole method (MLFMM) is widely used to accelerate the solutions of acoustic and electromagnetic scattering problems. In the expansions and translation operators of the MLFMM for 3‐D scattering problems, some special functions are used, including spherical Bessel functions, spherical harmonics and Wigner 3j$$ 3j $$ symbol. This makes it difficult to analyze the truncation errors. In this paper, we first give sharp bounds for the truncation errors of the expansions used in the MLFMM, then derive the overall error formula of the MLFMM and estimate its upper bound, the result is finally applied to the cube octree structure. Some numerical examples are performed to validate the proposed results. The method in this paper can also be used to the MLFMM for other 3‐D problems, such as potential problems, elastostatic problems, Stokes flow problems and so on. [ABSTRACT FROM AUTHOR]

Keywords: Schrödinger-Newton equation; uniqueness and nondegeneracy of ground states; spherical harmonics.GraphBy Huxiao LuoReported by Author [Extracted from the article]

In this paper, we calculate exactly the solution of Klein–Gordon equation in anti-de Sitter space–time. Due to spherical symmetry, the angular wave functions are given by spherical harmonics. The radial wave functions are given by local Heun functions. We analyze the behavior of the radial wave function in regions near three possible event horizon positions (r0,r1,r2) and investigate the decay rate, Hawking radiation and Hawking temperature for these three cases. Comparing the results, we verify that if the decay rate and Hawking radiation are greater, then the closer the event horizon is to the singularity of the black hole. Finally, we analyze the special case of a small black hole limit. [ABSTRACT FROM AUTHOR]

We present an approach to calculate potential fields on a planet's surface from regionally confined gradient data at spacecraft altitude, such as measurements of magnetic fields or gravitational acceleration. Our method uses altitude cognizant Slepian functions with a reference radial position that varies as a function of longitude and latitude. This is an evolution from previous altitude cognizant Slepian functions which use a fixed reference radial position. We demonstrate the advantage of these variable altitude cognizant Slepian functions over the fixed altitude cognizant Slepian functions and the classical Slepian functions using numerical tests. [ABSTRACT FROM AUTHOR]

We construct periodic and quasiperiodic solutions for the nonlinear plate equation on the unit sphere in R3. Periodic solutions for the nonlinear wave equation are constructed as well. The methods do not involve small parameters. In the case of a cubic nonlinear term, our approach is computer-assisted and thus yields detailed information about each solution. For nonlinearities that are in some sense close to linear, weak solutions are obtained by a variational method. [ABSTRACT FROM AUTHOR]

Surface morphology plays a crucial role in friction between two contacting geomaterial surfaces, yet many questions remain unanswered regarding how detailed frictional responses deviate from analytical solutions for smooth surfaces due to the presence of roughness. In this study, we revisit the Cattaneo‐Mindlin problem for contacts between two fractally rough elastic or elasto‐plastic spheres generated based on ultra‐high degree (e.g., up to 2,000) spherical harmonics with the corresponding wavelength less than a thousandth of the mean grain diameter. Transverse contacts are simulated by finite element method, validated by the extended Cattaneo‐Mindlin solution to full slide regime for smooth sphere contacts. Extensive simulations are conducted to study contacts between two rough spheres with various surface geometries, micro friction coefficients, normal contact distances, relative roughness, fractal dimensions, and wavelength ranges. Out results indicate that: (a) the new analytical solution can approximately predict the macro contact response except for extremely high relative roughness and narrow wavelength range; (b) deviations induced by roughness from smooth sphere contacts can be neutralized by plasticity, high normal contact interference, and high micro friction coefficient; and (c) fractal dimension impacts frictional contacts less than relative roughness. The main cause of these phenomena can be credited to the underlying microscale contact information. Contact area and stress distributions and their evolutions provide concrete evidence of these observed behavior. This work provides a pathway for applying computational contact mechanics to many geophysical fields, such as the asperity model in earthquake science and the mechanics of granular materials. Plain Language Summary: Geophysical bodies, such as faults, rocks, and grains, exhibit surface roughness across length scales. Contacts between rough surfaces are usually simplified to a rough‐to‐flat contact scenario. To release these strong assumptions, for the first time, extensive finite element simulations are conducted for transverse contacts between two rough grains. Particularly, grain roughness is controlled by ultra‐high degree spherical harmonics, which enables depicting surfaces of diverse grains from silica sands up to asteroids. Our results highlight the importance of surface features in frictional contacts, and indicate that the effects of roughness can be alleviated by the plasticity, contact conditions, and high intrinsic friction coefficient. Furthermore, fractality, quantifying how much the surface fluctuates over length scales, impacts frictional contacts less than roughness amplitude. This study provides a pathway for applying computational contact mechanics to many geophysical applications involving frictional contacts, such as asperity models in earthquake science and mechanics of granular materials. Key Points: Transverse contacts are simulated between two fractal rough grains generated by ultra‐high degree spherical harmonics for the first timeCattaneo‐Mindlin solution is extended to the full slide regime, capable of predicting the critical partial‐to‐complete sliding transitionEffects of roughness can be generally neutralized by plasticity, high contact interference, and friction coefficient [ABSTRACT FROM AUTHOR]

In this discourse, we present the unveiling of an open‐source software package designed to facilitate engagement with the atmospheric model, Aeolus 2.0. This particular iteration stands as a self‐contained model of intermediate complexity. The model's dynamical core is underpinned by a multi‐layer pseudo‐spectral moist‐convective Thermal Rotating Shallow Water (mcTRSW) model. The pseudo‐spectral problem‐solving tasks are handled by the Dedalus algorithm, acknowledged for its spin‐weighted spherical harmonics. The model captures the temporal and spatial evolution of vertically integrated potential temperature, thickness, water vapour, precipitation, and the intricate influence of bottom topography. It comprehensively characterizes velocity fields in both the lower and upper troposphere, employing resolutions spanning a spectrum from the smooth to the coarse, enabling the exploration of a wide range of dynamic phenomena with varying levels of detail and precision. [ABSTRACT FROM AUTHOR]

Spacecraft trajectories near the south pole of Enceladus violate the Brillouin sphere associated with the convergence radius of spherical harmonics models. In this study, a shifted coordinate frame is demonstrated to ensure a convergent model is available in regions of operational interest. Hypothetical experiments are performed around a simulated celestial body where the truth exterior gravity fields are known exactly. The divergence of the harmonics below the Brillouin sphere of the unshifted models is confirmed, while the shifted harmonics model converges. The method is next applied to the Cassini-derived gravity field for Enceladus, including uncertainties. Using these low-degree and low-order reference models, expected for use in an operational setting, the results show that the shifted and body-centered harmonics models agree to near machine precision for all evaluations at or above the surface, and no divergence is noticed. The results imply that mission designers and navigation engineers can safely use a traditional spherical harmonics field for Enceladus, even in regions that dip below the Brillouin sphere. For low-flying missions to celestial bodies besides Enceladus, the experiments conducted in this study can be repeated. The need for an alternative to the traditional spherical harmonics, such as the presented shifted model, increases for bodies that are increasingly non-spherical and orbits that are deeper inside the Brillouin sphere. [ABSTRACT FROM AUTHOR]

Magnetic sounding using data collected from the Juno mission can be used to provide constraints on Jupiter's interior. However, inwards continuation of reconstructions assuming zero electrical conductivity and a representation in spherical harmonics are limited by the enhancement of noise at small scales. Here we describe new time-independent reconstructions of Jupiter's internal magnetic field based on physics-informed neural networks and either the first 33 (PINN33) or the first 50 (PINN50) of Juno's orbits. The method can resolve local structures, and allows for weak ambient electrical currents. Our models are not hampered by noise amplification at depth, and provide a smooth picture of the interior structure without explicit regularization. We estimate that the dynamo boundary is at a fractional radius of 0.8. At this depth, the magnetic field is arranged into longitudinal bands, and strong local features such as the great blue spot appear to be rooted in neighbouring structures of oppositely signed flux. [ABSTRACT FROM AUTHOR]

This work is the third in a series on point mascon lunar gravity models. Point mascon models are computationally-efficient replacements for the standard spherical harmonics gravity models used in astrodynamics applications. Weighted cubed-sphere mascon gravity models are introduced as runtime-efficient alternatives to the spherical harmonics representation that do not impose the extreme memory costs imposed by other interpolated gravity modeling schemes. Localized models for the lunar gravity field are generated using sets of point-mass potentials and referenced to a cubed-sphere grid. Adjacent localized point mascon gravity models are combined using Junkins weighting functions to form a smooth global model. Three demonstration models are generated that reproduce the GRGM1200A lunar gravity model with equivalent fidelity to degree 70, 300, and 550 spherical harmonics truncation levels. The weighted cubed-sphere models are benchmarked for runtime and memory cost against the standard spherical harmonics models and two recently-introduced types of globally-defined mascon models. The benchmarking results show that the weighted cubed-sphere mascon models enable significant runtime improvements with reasonable memory costs, especially when using OpenMP parallelization. Comparing acceleration runtime with spherical harmonics, the degree 300 equivalent weighted cubed-sphere model shows up to a 30-fold speedup with an 89 megabyte memory footprint and the degree 550 equivalent model shows up to a 90-fold speedup with a 170 megabyte memory footprint. Order of magnitude speedups are demonstrated without parallelization. The runtime models and driver code are available online. [ABSTRACT FROM AUTHOR]

Rayleigh scattering from a spherical object located near a planar rigid boundary at distances smaller than the wavelength is calculated. Low frequency analysis reduces a scattering problem to a sequence of potential problems. An analytical solution based on expansion in spherical solid harmonics and the use of addition theorem is presented. Analytical perturbation approach is validated by comparison with numerical calculations. The velocity of the center of the particle and the scattering amplitude are determined. In the lowest order in wavenumber, the scattering amplitude is expressed in terms of the monopole and dipole components. In contrast to the behavior of a bubble, under the same conditions, dipole oscillations of the particle in the direction normal to the boundary are not excited and the monopole component of the scattering amplitude does not depend on the location of the particle relative to the boundary. [ABSTRACT FROM AUTHOR]

Data harmonization is necessary for removing confounding effects in multi-site diffusion image analysis. One such harmonization method, LinearRISH, scales rotationally invariant spherical harmonic (RISH) features from one site ("target") to the second ("reference") to reduce confounding scanner effects. However, reference and target site designations are not arbitrary and resultant diffusion metrics (fractional anisotropy, mean diffusivity) are biased by this choice. In this work we propose MidRISH: rather than scaling reference RISH features to target RISH features, we project both sites to a mid-space. We validate MidRISH with the following experiments: harmonizing scanner differences from 37 matched patients free of cognitive impairment, and harmonizing acquisition and study differences on 117 matched patients free of cognitive impairment. We find that MidRISH reduces bias of reference selection while preserving harmonization efficacy of LinearRISH. Users should be cautious when performing LinearRISH harmonization. To select a reference site is to choose diffusion metric effect-size. Our proposed method eliminates the bias-inducing site selection step. [ABSTRACT FROM AUTHOR]

Copyright of Engineering Mechanics / Gongcheng Lixue is the property of Engineering Mechanics Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The rotational excitation rates of NCCN species are studied for its collision with hydrogen (H2) in temperatures ranging from 1 to 100 K. Such collisions can occur in the interstellar medium with H2 in either para (p-) or ortho (o-) state, of which the p-H2 state can be approximated via its collision with He (using a scaling factor) or with a reduced rigid rotor-H2 surface (by averaging over various orientations of H2). In the current work, a four-dimensional (4D) ab initio potential energy surface (PES) is considered to study the collision dynamics of H2 in both p- and o-states and the results are compared with previous approximations. The 4D surface is constructed using the explicitly correlated coupled-cluster method CCSD(T)-F12b with the augmented triple zeta basis AVTZ and then fitted into an artificial neural networks (NN) model to augment the surface and account for missing data points. The radial coefficients are obtained from this NN fitted 4D PES via a least square fit over two spherical harmonics functions. The cross sections (σ) are computed using the close-coupling (CC) method (until 230 cm−1) for both p- and o-H2 collisions, and the rates are obtained by Boltzmann distribution over the translational energy of H2 until 100 K. The o-H2 rates are found to be higher by 25%–30% and 10%–20% compared to the p-H2 rates for Δj = 2 and higher order transitions, respectively. The coupled-state/centrifugal sudden approximated rates are also computed and found to have deviations as large as 40% when compared to CC rates, thus making quantitative descriptions unreliable. [ABSTRACT FROM AUTHOR]

Spherical harmonics provide a smooth, orthogonal, and symmetry-adapted basis to expand functions on a sphere, and they are used routinely in physical and theoretical chemistry as well as in different fields of science and technology, from geology and atmospheric sciences to signal processing and computer graphics. More recently, they have become a key component of rotationally equivariant models in geometric machine learning, including applications to atomic-scale modeling of molecules and materials. We present an elegant and efficient algorithm for the evaluation of the real-valued spherical harmonics. Our construction features many of the desirable properties of existing schemes and allows us to compute Cartesian derivatives in a numerically stable and computationally efficient manner. To facilitate usage, we implement this algorithm in sphericart, a fast C++ library that also provides C bindings, a Python API, and a PyTorch implementation that includes a GPU kernel. [ABSTRACT FROM AUTHOR]

We examine in this work one of the exact solutions of the conservative transport equation for isotropic scattering in spherical geometry, specifically the solution that is singular at the origin and vanishes at infinity. Two representations are known for that solution: one expressed as an infinite divergent series that is derived from the spherical harmonics method and another given by an integral that results from the technique of integration along the particle path and is confirmed here by the method of characteristics. We establish a connection between these representations by showing that the Borel sum of the first reproduces the latter. We also examine computational aspects of the solution expressed in various forms and discuss some standing issues related to it. [ABSTRACT FROM AUTHOR]

For convenient comparison and clear physical meaning, the gravity on the surface of a homogeneous cube and on spheres inside, outside, and intersecting about it is calculated by polyhedral or harmonic expansion methods. In addition, the gravity coefficients of a rectangle's spherical harmonics are both derived analytically and evaluated numerically, where only five terms are nontrivial up to the order of 4, which is somewhat unexpected when we first obtained them. There are some similarities of these coefficients to an ellipsoid for the terms C20,C22,C42, but they are much different for the terms C40,C44. Thence, a few special gravity characteristics are here revealed or visualized. For example, it is shown as expected that the maximum gravity appears at the sphere intersecting the cube, but maximum surface gravity at the center of the mid-plane of a rectangle's surface is different from the gravity on an ellipsoid at the end of its short axis. Based on these results, an orbit around a cube is integrated by a polyhedral method, and its secular motion analysis by averaging theory is investigated where the numerical and analytic results fit very well. Finally, a few special trajectories on a surface plane of a cube are simulated; the physical meaning is quite clear, and some insights are shown, such as why a natural celestial body in the shape of a rectangle with sharp corners is rarely found due to its surface gravity distribution. All gravity calculations are visualized on 3D figures both for cubes or rectangles. Additionally, examples of an asteroid and an ellipsoid are shown so that the techniques discussed here can be adopted to directly analyzing the gravity of other shapes. [ABSTRACT FROM AUTHOR]

Small‐angle X‐ray tensor tomography and the related wide‐angle X‐ray tensor tomography are X‐ray imaging techniques that tomographically reconstruct the anisotropic scattering density of extended samples. In previous studies, these methods have been used to image samples where the scattering density depends slowly on the direction of scattering, typically modeling the directionality, i.e. the texture, with a spherical harmonics expansion up until order ℓ = 8 or lower. This study investigates the performance of several established algorithms from small‐angle X‐ray tensor tomography on samples with a faster variation as a function of scattering direction and compares their expected and achieved performance. The various algorithms are tested using wide‐angle scattering data from an as‐drawn steel wire with known texture to establish the viability of the tensor tomography approach for such samples and to compare the performance of existing algorithms. [ABSTRACT FROM AUTHOR]

Any complex-valued polynomial on (R n) k decomposes into an algebraic combination of O (n) -invariant polynomials and harmonic polynomials. This decomposition, separation of variables, is granted to be unique if n ≥ 2 k − 1. We prove that the condition n ≥ 2 k − 1 is not only sufficient, but also necessary for uniqueness of the separation. Moreover, we describe the structure of non-uniqueness of the separation in the boundary cases when n = 2 k − 2 and n = 2 k − 3. Formally, we study the kernel of a multiplication map ϕ carrying out separation of variables. We devise a general algorithmic procedure for describing Ker ϕ in the restricted non-stable range k ≤ n < 2 k − 1. In the full non-stable range n < 2 k − 1 , we give formulas for highest weights of generators of the kernel as well as formulas for its Hilbert series. Using the developed methods, we obtain a list of highest weight vectors generating Ker ϕ. [ABSTRACT FROM AUTHOR]

SUMMARY: Thermal convection in planetary solid (rocky or icy) mantles sometimes occurs adjacent to liquid layers with a phase equilibrium at the boundary. The possibility of a solid–liquid phase change at the boundary has been shown to greatly help convection in the solid layer in spheres and plane layers and a similar study is performed here for a spherical shell with a radius-independent central gravity subject to a destabilizing temperature difference. The solid–liquid phase change is considered as a mechanical boundary condition and applies at either or both horizontal boundaries. The boundary condition is controlled by a phase change number, Φ, that compares the timescale for latent heat exchange in the liquid side to that necessary to build a topography at the boundary. We introduce a numerical tool, available at https://github.com/amorison/stablinrb, to carry out the linear stability analysis of the studied setup as well as other similar situations (Cartesian geometry, arbitrary temperature and viscosity depth-dependent profiles). Decreasing Φ makes the phase change more efficient, which reduces the importance of viscous resistance associated to the boundary and makes the critical Rayleigh number for the onset of convection smaller and the wavelength of the critical mode larger, for all values of the radii ratio, γ. In particular, for a phase change boundary condition at the top or at both boundaries, the mode with a spherical harmonics degree of 1 is always favoured for Φ ≲ 10−1. Such a mode is also favoured for a phase change at the bottom boundary for small (γ ≲ 0.45) or large (γ ≳ 0.75) radii ratio. Such dynamics could help explaining the hemispherical dichotomy observed in the structure of many planetary objects. [ABSTRACT FROM AUTHOR]

We give investigations on a kernel function approximation problem arising from learning theory and show the convergence rate from the view of classical Fourier analysis. First, we provide the general definition for a modulus of smoothness and a K -functional, and show that they are equivalent. In particular, we give explicit representation for some moduli of smoothness. Second, we establish some Jackson-type inequalities for the approximation error associated with some non-radial kernels. Also we apply these results to some concrete classical kernel function spaces and give Jackson-type inequalities for some concrete RKHS approximation problems. Finally, we apply these discussions to learning theory and describe the learning rates with the moduli of smoothness. The tools we used are Fourier analysis and the semigroup operator. The results show that the Jackson-type inequalities of approximation by some radial kernel functions on compact set with nonempty interiors cannot be expressed with the classical moduli of smoothness. [ABSTRACT FROM AUTHOR]

The four-dimensional ellipsoid of an anisotropic hyper-structure corresponds to the four-dimensional sphere of an isotropic hyper-structure. In three dimensions, both theories for spherical and ellipsoidal harmonics have been developed by Laplace and Lamé, respectively. Nevertheless, in four dimensions, only the theory of hyper-spherical harmonics is hitherto known. This void in the literature is expected to be filled up by the present work. In fact, it is well known that the spectral decomposition of the Laplace equation in three-dimensional ellipsoidal geometry leads to the Lamé equation. This Lamé equation governs each one of the spectral functions corresponding to the three ellipsoidal coordinates, which, however, live in non-overlapping intervals. The analysis of the Lamé equation leads to four classes of Lamé functions, giving a total of 2n + 1 functions of degree n. In four dimensions, a much more elaborate procedure leads to similar results for the hyper-ellipsoidal structure. Actually, we demonstrate here that there are eight classes of the spectral hyper-Lamé equation and we provide a complete analysis for each one of them. The number of hyper-Lamé functions of degree n is (n + 1)2; that is, n2 more functions than the three-dimensional case. However, the main difficulty in the four-dimensional analysis concerns the evaluation of the three separation constants appearing during the separation process. One of them can be extracted from the corresponding theory of the hyper-sphero-conal system, but the other two constants are obtained via a much more complicated procedure than the three-dimensional case. In fact, the solution process exhibits specific nonlinearities of polynomial type, itemized for every class and every degree. An example of this procedure is demonstrated in detail in order to make the process clear. Finally, the hyper-ellipsoidal harmonics are given as the product of four identical hyper-Lamé functions, each one defined in its own domain, which are explicitly calculated and tabulated for every degree less than five. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Beijing University of Technology is the property of Journal of Beijing University of Technology, Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

This work analyzes variations in the chromophore group during the ferroelastoelectric phase transition in the (NH4)2CuCl4 · 2 H2O crystal using crystal field theory and the model of normalized spherical harmonics, based on the crystal's absorption spectra. For this purpose, a new version of the program package Crys Tool 2.0 was developed. It was shown that the anionic complex around Cu2+ ion possesses the shape of a flattened octahedron with the shortest distance O-Cu-O. The temperature dependences of the crystal field parameters as well as the metal-ligand distances show the continuous anomalies at the Curie point Tc = 200.5 K characteristic of the second-order phase transition. The transition to the ferroelastoelectric phase observed upon cooling is followed by an increase in the tetragonal distortion and a decrease in the rhombic distortion of the copper-halogen-hydrate octahedron. The relative values of the calculated metal-ligand distances correlate fairly well with the data of the X-ray diffraction study. [ABSTRACT FROM AUTHOR]

The paper studies discrete structural properties of polynomials that play an important role in the theory of spherical harmonics in any dimensions. These polynomials have their origin in the research on problems of harmonic analysis by means of generalized holomorphic (monogenic) functions of hypercomplex analysis. The Sturm‐Liouville equation that occurs in this context supplements the knowledge about generalized Vietoris number sequences Vn, first encountered as a special sequence (corresponding to n=2) by Vietoris in connection with positivity of trigonometric sums. Using methods of the calculus of holonomic differential equations, we obtain a general recurrence relation for Vn, and we derive an exponential generating function of Vn expressed by Kummer's confluent hypergeometric function. [ABSTRACT FROM AUTHOR]

The Weinstein equation tΔu+k∂u∂t=0, with k∈ℤ, considered in ℝ3=(x,y,t), is a modification of the classical Laplace equation Δu=0. Its solutions are called k‐modified harmonic functions. Whereas for positive integers k the Weinstein equation is relatively well understood, little is known if the parameter k is negative. The main result of this article is the statement that in case the negative integers are even, i.e., k=−2ℓ,ℓ∈ℕ, we still have a Fischer‐type decomposition. For k=0, the classical harmonic functions, this decomposition is well known. But also in case k∈ℕ, a Fischer‐type decomposition holds true, a Fischer‐type decomposition holds true. Surprisingly in case k=−3,k=−5, or k=−7 and probably in all higher negative odd cases, the decomposition doesn't hold. In case k=−1, we give a complete description of the vector space Hnk(ℝ3) of homogeneous k‐modified harmonic polynomials of degree n in ℝ3. Such a result is also at hand in case k∈ℕ. Finally, in case k=0 of the classical harmonic functions, we give a description of the vector space Hn(ℝ3)=Hn0(ℝ3). [ABSTRACT FROM AUTHOR]

Efficient computation of the geopotential gradient is essential for numerical propagators, particularly in scenarios involving low Earth orbits. Conventional geopotential calculations are based on spherical harmonics series, which become computationally demanding as the degree/order increases. This computational burden can be mitigated by means of parallelized algorithms. Additionally, certain situations lend themselves to high parallelization, such as the propagation of space debris catalogs, satellite mega-constellations, or the dispersion of particles resulting from a space collision event. This paper introduces an optimized Graphics Processing Unit (GPU) implementation designed to facilitate extensive parallelization in the geopotential gradient calculation. The formulation developed in this study is not specific to any GPU. However, to illustrate the low-level optimizations necessary for an efficient implementation, we selected the Compute Unified Device Architecture (CUDA) as the dominant and de facto standard in parallel computing. Nevertheless, most of the concepts and optimizations presented in this paper are also valid for other GPU architectures. Built upon the spherical harmonic expansion using the Cunningham formulation, which is well-suited for GPU computations, our implementation offers several variants with different tradeoffs between speed and accuracy. Besides GPU double precision, we introduced a mixed precision arithmetic –a hybrid between single and double precision– that exploits GPU capabilities with a low penalty in accuracy. The proposed algorithm was implemented as a software reusable module, and its performance was evaluated against GMAT, GODOT, and Orekit astrodynamic codes. The algorithm's accuracy in double precision is comparable to such codes. The mixed precision version showed enough accuracy for LEO satellite propagation, with around 1 m difference in four days. Testing across different CUDA architectures revealed very high speed-up factors compared to a single CPU, reaching a speed-up of 645 for the mixed precision variant and 450 for the double precision one in the propagation of about 3200 objects with a geopotential of degree/order 126 × 126 using an A100 GPU device. [ABSTRACT FROM AUTHOR]

Purpose: To introduce the diffusion signal characteristics presented by spherical harmonics (SH) basis into the q‐space imaging method based on Gaussian radial basis function (GRBF) to robustly reconstruct ensemble average diffusion propagator (EAP) in diffusion MRI (dMRI). Methods: We introduced the Laplacian regularization of the signal into the dMRI imaging method based on GRBF, and derived the relevant indicators of microstructure imaging and the orientation distribution function (ODF) providing fiber bundle direction information based on EAP. In addition, this method is combined with a multi‐compartment model to calculate the diameter of fiber bundle axons. The evaluation of the results included qualitative comparisons and quantitative assessments of the signal fitting. Results: The results show that the proposed method achieves the more significant accuracy improvement in reconstructing signal. Meanwhile, ODFs estimated by the proposed method show the sharper profiles and less spurious peaks, even under the sparse and noisy conditions. In the 36 sets of axon diameter estimation experiments, 34 and 30 sets of results showed that the proposed method reduced the mean and SD of axon diameter estimates, respectively. Moreover, compared with the current state‐of‐the‐art method, the mean and SD of axon diameter estimated by the proposed method are mostly lower, with 32 and 29 of 36 groups. Conclusion: The proposed method outperforms the GRBF regarding signal fitting and the estimation of the EAP and ODF with multi‐shell sparse samples. Moreover, it shows the potential to recover important features of microstructures with less uncertainty by using proposed method together with multi‐compartment models. [ABSTRACT FROM AUTHOR]

The paper analyzes a spectral approach to reconstructing a scalar field on the sphere, given only information about a masked version of the field, together with precise information about the (smooth) mask. The theory is developed for a general mask and later specialized to the case of an axially symmetric mask. Numerical experiments are given for the case of an axial mask motivated by the cosmic microwave background, assuming that the underlying field is a realization of a Gaussian random field with an artificial angular power spectrum of moderate degree (l≤100). The recovery is highly satisfactory in the absence of noise and even in the presence of moderate noise. [ABSTRACT FROM AUTHOR]

In this paper we study critical sets of solutions uε$u_\varepsilon$ of second‐order elliptic equations in divergence form with rapidly oscillating and periodic coefficients. Under some condition on the first‐order correctors, we show that the (d−2)$(d-2)$‐dimensional Hausdorff measures of the critical sets are bounded uniformly with respect to the period ε$\varepsilon$, provided that doubling indices for solutions are bounded. The key step is an estimate of "turning" of an approximate tangent map, the projection of a non‐constant solution uε$u_\varepsilon$ onto the subspace of spherical harmonics of order ℓ$\ell$, when the doubling index for uε$u_\varepsilon$ on a sphere ∂B(0,r)$\partial B(0, r)$ is trapped between ℓ−δ$\ell -\delta$ and ℓ+δ$\ell +\delta$, for r$r$ between 1 and a minimal radius r∗≥C0ε$r^*\ge C_0\varepsilon$. This estimate is proved by using harmonic approximation successively. With a suitable L2$L^2$ renormalization as well as rescaling we are able to control the accumulated errors introduced by homogenization and projection. Our proof also gives uniform bounds for Minkowski contents of the critical sets. [ABSTRACT FROM AUTHOR]

Processing of single‐crystal X‐ray diffraction data from area detectors can be separated into two steps. First, raw intensities are obtained by integration of the diffraction images, and then data correction and reduction are performed to determine structure‐factor amplitudes and their uncertainties. The second step considers the diffraction geometry, sample illumination, decay, absorption and other effects. While absorption is only a minor effect in standard macromolecular crystallography (MX), it can become the largest source of uncertainty for experiments performed at long wavelengths. Current software packages for MX typically employ empirical models to correct for the effects of absorption, with the corrections determined through the procedure of minimizing the differences in intensities between symmetry‐equivalent reflections; these models are well suited to capturing smoothly varying experimental effects. However, for very long wavelengths, empirical methods become an unreliable approach to model strong absorption effects with high fidelity. This problem is particularly acute when data multiplicity is low. This paper presents an analytical absorption correction strategy (implemented in new software AnACor) based on a volumetric model of the sample derived from X‐ray tomography. Individual path lengths through the different sample materials for all reflections are determined by a ray‐tracing method. Several approaches for absorption corrections (spherical harmonics correction, analytical absorption correction and a combination of the two) are compared for two samples, the membrane protein OmpK36 GD, measured at a wavelength of λ = 3.54 Å, and chlorite dismutase, measured at λ = 4.13 Å. Data set statistics, the peak heights in the anomalous difference Fourier maps and the success of experimental phasing are used to compare the results from the different absorption correction approaches. The strategies using the new analytical absorption correction are shown to be superior to the standard spherical harmonics corrections. While the improvements are modest in the 3.54 Å data, the analytical absorption correction outperforms spherical harmonics in the longer‐wavelength data (λ = 4.13 Å), which is also reflected in the reduced amount of data being required for successful experimental phasing. [ABSTRACT FROM AUTHOR]

Positive semidefinite kernels on spheres cross time are on demand in spatial statistics, machine learning and numerical analysis, motivated by applications in the climate, environmental and earth sciences. Most of the recent literature has focused on kernels that are isotropic on the sphere and stationary in time, but this assumption is often overly limited in quantifying spatial dependence properly. A broader class of kernels can be obtained by trading isotropy for axial symmetry, i.e., stationarity with respect to longitudes only. This paper challenges theoretical aspects by providing a spectral representation that uniquely characterizes space-time positive semidefinite kernels that are axially symmetric on the sphere and stationary in time. We also address the problem of partial Fourier inversion and show that it is feasible under mild technical conditions. The second part of the paper focuses on constructive methods to build nonseparable kernels having axial symmetry on the sphere and stationarity over time. [ABSTRACT FROM AUTHOR]

Integral transformations represent an important mathematical tool for gravitational field modelling. A basic assumption of integral transformations is the global data coverage, but availability of high-resolution and accurate gravitational data may be restricted. Therefore, we decompose the global integration into two parts: (1) the effect of the near zone calculated by the numerical integration of data within a spherical cap and (2) the effect of the far zone due to data beyond the spherical cap synthesised by harmonic expansions. Theoretical and numerical aspects of this decomposition have frequently been studied for isotropic integral transformations on the sphere, such as Hotine's, Poisson's, and Stokes's integral formulas. In this article, we systematically review the mathematical theory of the far-zone effects for the spherical integral formulas, which transform the disturbing gravitational potential or its purely radial derivatives into observable quantities of the gravitational field, i.e. the disturbing gravitational potential and its radial, horizontal, or mixed derivatives of the first, second, or third order. These formulas are implemented in a MATLAB software and validated in a closed-loop simulation. Selected properties of the harmonic expansions are investigated by examining the behaviour of the truncation error coefficients. The mathematical formulations presented here are indispensable for practical solutions of direct or inverse problems in an accurate gravitational field modelling or when studying statistical properties of integral transformations. [ABSTRACT FROM AUTHOR]

This paper introduces fundamental concepts of quantum mechanics, including quantum state space, basis functions, and unitary transformations, to explain why the z axis appears special in atomic structure. It clarifies that in a spherically symmetric atomic structure, no direction is inherently special. The perceived special nature of the z axis primarily arises from the choice of specific basis functions used to describe the electron motion in the atom. [ABSTRACT FROM AUTHOR]

Fractional and bifractional Brownian motions can be defined on a metric space if the associated metric or distance function is conditionally negative definite (or of negative type). This paper introduces several forms of scalar or vector bifractional Brownian motions on various metric spaces and presents their properties. A metric space of particular interest is the arccos-quasi-quadratic metric space over a subset of R d + 1 such as an ellipsoidal surface, an ellipsoid, or a simplex, whose metric is the composition of arccosine and quasi-quadratic functions. Such a metric is not only conditionally negative definite but also a measure definite kernel, and the metric space incorporates several important cases in a unified framework so that it enables us to study (bi, tri, quadri)fractional Brownian motions on various metric spaces in a unified manner. The vector fractional Brownian motion on the arccos-quasi-quadratic metric space enjoys an infinite series expansion in terms of spherical harmonics, and its covariance matrix function admits an ultraspherical polynomial expansion. We establish the property of strong local nondeterminism of fractional and bi(tri, quadri)fractional Brownian motions on the arccos-quasi-quadratic metric space. [ABSTRACT FROM AUTHOR]

Perfectly diffuse sound fields play an important role in architectural acoustics and there are established theoretical characterizations of perfect diffuseness. Although sound fields in real rooms are diffuse to some extent, they are not perfectly diffuse, and therefore theories are required to describe pseudo-perfectly diffuse sound fields. Here, we aim to spatially characterize pseudo-perfect diffuseness via directional characterization of that, finite-degree spherical harmonic diffuseness. Our results show that finite-degree diffuse sound fields yield local spatial diffuseness, suggesting that spatial pseudo-perfect diffuseness is characterized using the effective radius of diffuseness. [ABSTRACT FROM AUTHOR]

The G-modified Helmholtz equation is a partial differential equation that enables us to express gravity intensity g as a series of spherical harmonics having radial distance r in irrational powers. The Laplace equation in three-dimensional space (in Cartesian coordinates, is the sum of the second-order partial derivatives of the unknown quantity equal to zero) is used to express the Earth's gravity potential (disturbing and normal potential) in order to represent other useful quantities—which are also known as functionals of the disturbing potential—such as gravity disturbance, gravity anomaly, and geoid undulation as a series of spherical harmonics. We demonstrate that by using the G-modified Helmholtz equation, not only gravity intensity but also disturbing potential and its functionals can be expressed as a series of spherical harmonics. Having gravity intensity represented as a series of spherical harmonics allows us to create new Global Gravity Models. Furthermore, a more detailed examination of the Earth's isogravitational surfaces is conducted. Finally, we tabulate our results, which makes it clear that new Global Gravity Models for gravity intensity g will be very useful for many geophysical and geodetic applications. [ABSTRACT FROM AUTHOR]

In previous studies, the magnetic lead field theorem in the quasi-static approximation was derived and used for the development of a method for the forward problem of MEG. It was applied and tested on a single-shell model of the human head and the question whether one shell is adequate enough for the calculation of the magnetic field is the main reason for this study. This forward method is based on the fundamental concept that one can calculate the lead field for MEG by decomposing it into two parts: the lead field of an arbitrary volume conductor that is already known and the gradient of basis functions that have to be harmonic, here derived from spherical harmonics. The problem then is reduced to evaluating the coefficients found in the basis functions. In this research we aim to improve the accuracy of the forward model, hence improving the localization accuracy in inverse methods by introducing a more detailed realistic head model. We here generalize the algorithm developed for a single-shell volume conductor to a three-shell volume conductor representing the brain, the skull and the skin with homogenous and isotropic conductivities in realistic ratios. The expansion to three shells could be tested as the three-shell algorithm is approaching the single-shell with high accuracy in special cases where three-shell solutions can also be calculated using a single-shell solution, especially for higher levels of expansion. The deviation in the calculation of the lead field is also evaluated when using three shells with realistic conductivities. The magnetic field turned out to differ to an important measurable extend in particular for deeper sources, making the three-shell algorithm substantially more accurate for these dipole locations.

Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighborhood of each atom in the system. Symmetry considerations support the use of spherical harmonics to expand the angular dependence of this density, but there is, as of yet, no clear rationale to choose one radial basis over another. Here, we investigate the basis that results from the solution of the Laplacian eigenvalue problem within a sphere around the atom of interest. We show that this generates a basis of controllable smoothness within the sphere (in the same sense as plane waves provide a basis with controllable smoothness for a problem with periodic boundaries) and that a tensor product of Laplacian eigenstates also provides a smooth basis for expanding any higher-order correlation of the atomic density within the appropriate hypersphere. We consider several unsupervised metrics of the quality of a basis for a given dataset and show that the Laplacian eigenstate basis has a performance that is much better than some widely used basis sets and competitive with data-driven bases that numerically optimize each metric. Finally, we investigate the role of the basis in building models of the potential energy. In these tests, we find that a combination of the Laplacian eigenstate basis and target-oriented heuristics leads to equal or improved regression performance when compared to both heuristic and data-driven bases in the literature. We conclude that the smoothness of the basis functions is a key aspect of successful atomic density representations. [ABSTRACT FROM AUTHOR]

The G-modified Helmholtz equation is a partial differential equation that enables us to express gravity intensity g as a series of spherical harmonics having radial distance r in irrational powers. The Laplace equation in three-dimensional space (in Cartesian coordinates, is the sum of the second-order partial derivatives of the unknown quantity equal to zero) is used to express the Earth’s gravity potential (disturbing and normal potential) in order to represent other useful quantities—which are also known as functionals of the disturbing potential—such as gravity disturbance, gravity anomaly, and geoid undulation as a series of spherical harmonics. We demonstrate that by using the G-modified Helmholtz equation, not only gravity intensity but also disturbing potential and its functionals can be expressed as a series of spherical harmonics. Having gravity intensity represented as a series of spherical harmonics allows us to create new Global Gravity Models. Furthermore, a more detailed examination of the Earth’s isogravitational surfaces is conducted. Finally, we tabulate our results, which makes it clear that new Global Gravity Models for gravity intensity g will be very useful for many geophysical and geodetic applications.

Our work utilizes the quantum model of the hydrogen atom which is based on the Schrödinger equation with Coulomb potential. Specifically, we concentrate on the angular components of the wave eigenfunctions derived from this model. We consider the quantum states with n ≤ 4. In order to visualize the orbital shapes of these states, we built in the spherical coordinates system their 3D geometric representations. Furthermore, we use the corresponding spherical harmonics, to calculate the θ nodal values that describe the configurations of these orbital states.

Three- and four-center Coulomb integrals in the solid spherical harmonic Gaussian basis are solved by expansion in terms of two-center integrals. The two-electron Gaussian product rule, coupled with the addition theorem for solid spherical harmonics, reduces four-center Coulomb integrals into a linear combination of two-center Coulomb integrals and one-center overlap integrals. With this approach, three- and four-center Coulomb integrals can be reduced to the same form of two-center integrals. Resulting two-center Coulomb integrals can be further simplified into a simpler form, which can be related to the Boys function. Multi-center Coulomb integrals are solved hierarchically: simple two-center Coulomb integrals are used for calculation of more complicated two-center Coulomb integrals, which are used in the calculation of multicenter integrals. [ABSTRACT FROM AUTHOR]

This paper proposes the first linear scaling implementation for the domain decomposition approach of the polarizable continuum model (ddPCM) for the computation of the solvation energy and forces. The ddPCM-equation consists of a (non-local) integral equation on the van der Waals or solvent accessible surface of the solute's cavity resulting in a dense solution matrix, and, in turn, one matrix–vector multiplication has a quadratic arithmetic complexity with respect to the number of atoms of the solute molecule. The use of spherical harmonics as basis functions makes it natural to employ the fast multipole method (FMM) in order to provide an asymptotically linear scaling method. In this paper, we employ the FMM in a non-uniform manner with a clusterization based on a recursive inertial bisection. We present some numerical tests illustrating the accuracy and scaling of our implementation. [ABSTRACT FROM AUTHOR]

The remove–compute–restore (RCR) approach is widely used in local quasi-geoid modeling. However, the classical RCR approach usually does not take into account the noise of the satellite-only global gravity field model (GGM), which may lead to a suboptimal result. This paper presents an approach for local quasi-geoid modeling based on spherical radial basis functions that combines local noisy datasets and a noisy satellite-only GGM. This approach includes an RCR procedure using a satellite-only GGM. This is a direct approach that takes the spherical harmonic coefficients of satellite-only GGM as a noisy dataset and includes the corresponding full-noise covariance matrix in the least-squares estimation, aiming to obtain a statistically optimal local quasi-geoid model. The direct approach goes beyond the indirect approach, which treats the height anomalies generated from the satellite-only GGM as a noisy dataset. However, the generated GGM height anomaly dataset is not an equivalent representation of the satellite-only GGM, which may result in the loss of information from the satellite-only GGM. Through mathematical deduction, we demonstrate the theoretical consistency between the direct approach and the indirect approach. The direct approach also has an advantage over the indirect approach in terms of computational complexity due to the simpler algorithm. We conducted a synthetic closed-loop test with a real data distribution in Colorado, and numerical results demonstrated the advantage of the direct approach in local quasi-geoid modeling. In terms of the root mean square of the differences between the predicted values and the true reference values, the direct approach provided an improvement of approximately 14% compared to the indirect approach. [ABSTRACT FROM AUTHOR]

A new method for the fully generalized reconstruction of three-dimensional (3D) photoproduct distributions from velocity-map imaging (VMI) projection data is presented. This approach, dubbed Fourier–Hankel–Abel Nyquist-limited TOMography (FHANTOM), builds on recent previous work in tomographic image reconstruction [C. Sparling and D. Townsend, J. Chem. Phys. 157, 114201 (2022)] and takes advantage of the fact that the distributions produced in typical VMI experiments can be simply described as a sum over a small number of spherical harmonic functions. Knowing the solution is constrained in this way dramatically simplifies the reconstruction process and leads to a considerable reduction in the number of projections required for robust tomographic analysis. Our new method significantly extends basis set expansion approaches previously developed for the reconstruction of photoproduct distributions possessing an axis of cylindrical symmetry. FHANTOM, however, can be applied generally to any distribution—cylindrically symmetric or otherwise—that can be suitably described by an expansion in spherical harmonics. Using both simulated and real experimental data, this new approach is tested and benchmarked against other tomographic reconstruction strategies. In particular, the reconstruction of photoelectron angular distributions recorded in a strong-field ionization regime—marked by their extensive expansion in terms of spherical harmonics—serves as a key test of the FHANTOM methodology. With the increasing use of exotic optical polarization geometries in photoionization experiments, it is anticipated that FHANTOM and related reconstruction techniques will provide an easily accessible and relatively low-cost alternative to more advanced 3D-VMI spectrometers. [ABSTRACT FROM AUTHOR]

Traditionally, direction-of-arrival (DOA) estimations under near- and far-field scenarios are treated as independent tasks based on the corresponding acoustic model, hence necessitating a proper soundfield detector as an upstream processing tool, whereas there may not be a distinct boundary between different soundfield types, especially the mixed-field scenarios where both near- and far-field sources coexist simultaneously. To handle this issue, this article investigates a multisource DOA estimator that equally localizes multiple near-, far-, and mixed-field sources, not requiring any specialized adjustments. We (i) define a signal-invariant multichannel feature denoted generalized relative harmonic coefficients in the spherical harmonics domain; (ii) derive the analytical expression of this feature and summarize its unique properties, exhibiting consistence for both near- and far-field sources; (iii) estimate source elevation and azimuth using the magnitude and phase parts of this feature, respectively; (iv) detect single-source dominated periods from the mixed measurements based on an investigated distance measure; and (v) count the number of sources and localize their DOAs by clustering the single-source dominated estimates. Extensive experimental results, in both simulated and real-life environments, finally confirm the effectiveness of the proposed algorithm under diverse acoustic scenarios, and a superiority over baseline approaches in localizing mixed-field sources. [ABSTRACT FROM AUTHOR]