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At least 91 records · Page 5

Development of a Three-Dimensional PSE Code for Compressible Flows: Stability of Three-Dimensional Compressible Boundary Layers

A program is developed to investigate the linear stability of three-dimensional compressible boundary layer flows over bodies of revolutions. The problem is formulated as a two dimensional (2D) eigenvalue problem incorporating the meanflow variations in the normal and azimuthal directions. Normal mode solutions are sought in the whole plane rather than in a line normal to the wall as is done in the classical one dimensional (1D) stability theory. The stability characteristics of a supersonic boundary layer over a sharp cone with 50 half-angle at 2 degrees angle of attack is investigated. The 1D eigenvalue computations showed that the most amplified disturbances occur around x(sub 2) = 90 degrees and the azimuthal mode number for the most amplified disturbances range between m = -30 to -40. The frequencies of the most amplified waves are smaller in the middle region where the crossflow dominates the instability than the most amplified frequencies near the windward and leeward planes. The 2D eigenvalue computations showed that due to the variations in the azimuthal direction, the eigenmodes are clustered into isolated confined regions. For some eigenvalues, the eigenfunctions are clustered in two regions. Due to the nonparallel effect in the azimuthal direction, the eigenmodes are clustered into isolated confined regions. For some eigenvalues, the eigenfunctions are clustered in two regions. Due to the nonparallel effect in the azimuthal direction, the most amplified disturbances are shifted to 120 degrees compared to 90 degrees for the parallel theory. It is also observed that the nonparallel amplification rates are smaller than that is obtained from the parallel theory.

Balakumar, P.

Analysis, Repair, and Management of the Total Ozone Mapping Spectrometer Database

In the ensuing period we were able to demonstrate that the origin of these filamentous patterns resulted from the action of synoptic-scale vortical velocity field on the global-scale background gradient of ozone concentration in the meridional direction. Hyperbolic flow patterns between long-lived atmospheric vortices bring together air parcels from different latitudes, thus creating large gradients along the separatrices leaving the hyperbolic (stagnation) point. This result is further confirmed by the KL analysis of the ozone field in the equatorial region, where the background concentration gradient vanishes. The spectral slope in this region has been found to lie close to -1, in agreement with Batchelor's prediction. Another outcome of this result is that it at least provides indirect evidence about the kinetic energy spectrum of the atmospheric turbulence in the range of scales approximately 200 to 2000 km. Namely, Batchelor's analysis is based on the assumption that the velocity field is large-scale, that is the kinetic energy spectrum decays as O(k(sup -3)) or steeper. Since the scalar spectrum is confirmed, this also supports this form of the kinetic energy spectrum. The study of equatorial regions of TOMS data revealed the efficiency of the KL method is in detecting and separating a wave-like measurement artifact inherently present in the dataset due to the non-perfect correction for cross-track bias. Just two to three eigenfunctions represent the error, which makes it possible to enhance the data by reconstituting it from the data by eliminating the subspace of artifactual eigenfunctions. This represents a highly efficient means for achieving an improved rendering of the data. This has been implemented on the database. A wide range of techniques and algorithms have been developed for the repair and extension of the TOMS database.

Sirovich, Lawrence

The Application of a Boundary Integral Equation Method to the Prediction of Ducted Fan Engine Noise

The prediction of ducted fan engine noise using a boundary integral equation method (BIEM) is considered. Governing equations for the BIEM are based on linearized acoustics and describe the scattering of incident sound by a thin, finite-length cylindrical duct in the presence of a uniform axial inflow. A classical boundary value problem (BVP) is derived that includes an axisymmetric, locally reacting liner on the duct interior. Using potential theory, the BVP is recast as a system of hypersingular boundary integral equations with subsidiary conditions. We describe the integral equation derivation and solution procedure in detail. The development of the computationally efficient ducted fan noise prediction program TBIEM3D, which implements the BIEM, and its utility in conducting parametric noise reduction studies are discussed. Unlike prediction methods based on spinning mode eigenfunction expansions, the BIEM does not require the decomposition of the interior acoustic field into its radial and axial components which, for the liner case, avoids the solution of a difficult complex eigenvalue problem. Numerical spectral studies are presented to illustrate the nexus between the eigenfunction expansion representation and BIEM results. We demonstrate BIEM liner capability by examining radiation patterns for several cases of practical interest.

Dunn, M. H.

Stability Analysis of the Flow Over a Swept Forward-Facing Step Using PIV Base Flows

Step excrescences are a type of surface imperfection encountered on swept wings of commercial aircraft, commonly because accessibility requirements prevent creating the wing’s surface from a single panel. If the step height is too large, super-critical, the flow can undergo an early transition to turbulence, which can be highly detrimental for the performance of the wing. In the case of a forward-facing step on a swept wing in a low-disturbance environment, stationary crossflow vortices can develop a significant amplitude upstream of the step and hence dominate the structure of the boundary-layer flow over the step. The main goal of the present investigation is to illuminate the path to transition supported by the fascinatingly complex flow field in the direct downstream vicinity of a step with a super critical height. The high-resolution, stereographic Particle Image Velocimetry (PIV) measurement dataset presently available for this flow field provides a complete description of the laminar flow for the execution of BiGlobal stability analysis in a plane parallel to the step. Although the notorious sensitivity of stability results to the description of the base flow demands a very careful uncertainty analysis of those results, it is argued that this very fact can be leveraged to produce new insight into the supported perturbation dynamics. In performing the analysis, several unsteady mode families are discovered that display the explosive perturbation expected for early transition to be induced. In considering domain widths equal to an integer-multiple of the incident crossflow-vortex wavelength and analyzing an extent of 5 crossflow-vortex wavelengths parallel to the step, it is found that the stability results converge while increasing the domain width. It is demonstrated, moreover, that the results for the wider domains can be approximated by appropriately averaging the results on neighboring single-crossflow-vortex-wavelength domains covering the same region. Besides being useful for computational purposes, this observed property suggests interpreting the instability mechanism as a distorted primary mechanism rather than a “proper” secondary mechanism. This follows in the context of the secondary in-stability analysis of three-dimensional boundary layers, because the secondary mechanism is usually characterized by being localized in a pocket of strong shear, while the distorted primary mechanism typically has an infinite support in the direction parallel to the step. Even though the growth rates are found to be sensitive to the interrogation-window size inherent to the PIV post-processing procedure, the spatial structure of the eigenfunctions is found to be relatively insensitive. Lastly, the spatial structure of the eigenfunctions corresponding to all velocity components are matched with the shape functions determined by computing the Spectral Proper Orthogonal Decomposition (SPOD) of a time-resolved measurement of the perturbation content.

forward-facing step

Nonlinear Görtler Vortices and Their Secondary Instability in a Hypersonic Boundary Layer

Nonlinear development of the Görtler instability over a concave surface gives rise to a highly distorted inflectional flow field in the boundary layer that leads to both wall-normal and spanwise gradients in the flow. Such nonlinear structures are susceptible to strong, high-frequency secondary instabilities that may lead to the onset of laminar-turbulent transition. The present numerical study uses direct numerical simulations and linear secondary instability theory to investigate finite amplitude Görtler vortices and their secondary instability characteristics, respectively, in the hypersonic flow over an axisymmetric cone with a concave aft body. To complement previous studies in the literature wherein the Görtler instability was usually studied for a flat plate and initiated at some upstream location by imposing an eigenfunction as the inflow condition or by blowing and suction at the wall, the present investigation is focused on fully realizable Görtler instability that is excited by an azimuthally periodic array of surface protuberances. Furthermore, while the previous work had mostly focused on the secondary instability of Görtler vortices with cross-plane velocity contours that resembled bell-shaped structures, the present results confirm that fully developed mushroom structures also exist in the hypersonic regime when the Görtler vortex amplitude is sufficiently large. Computations further reveal that the dominant modes of secondary instability in these mushroom-shaped structures correspond to an antisymmetic (i.e., sinuous) “stem” mode that concentrates within the strong, nearly wall-normal internal shear layers surrounding the stem regions underneath the caps of the mushroom structures. Additionally, there exist a multitude of other significantly unstable secondary instability modes of both symmetric and antisymmetric types. Analogous to the secondary instability of crossflow vortices in hypersonic flows, secondary instability modes of both symmetric and antisymmetric types. Analogous to the secondary instability of crossflow vortices in hypersonic flows, secondary instability modes originating from the Mack mode instability play an important role during the nonlinear breakdown process.

Laminar turbulent transition

Conformal BK equation at QCD Wilson-Fisher point

High-energy scattering in pQCD in the Regge limit is described by the evolution of Wilson lines governed by the BK equation. In the leading order, the BK equation is conformally invariant and the eigenfunctions of the linearized BFKL equation are powers. It is a common belief that at d ≠ 4 the BFKL equation is useless since unlike d = 4 case it cannot be solved by usual methods. However, we demonstrate that at critical Wilson-Fisher point of QCD the relevant part of NLO BK restores the conformal invariance so the solutions are again powers. As a check of our approach to high-energy amplitudes at the Wilson-Fisher point, we calculate the anomalous dimensions of twist-2 light-ray operators in the Regge limit j → 1.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Enabling probabilistic learning on manifolds through double diffusion maps

Here, we present a generative learning framework for probabilistic sampling that extends Probabilistic Learning on Manifolds (PLoM), which is designed to generate statistically consistent realizations of a random vector in a finite-dimensional Euclidean space, informed by a (representative) set of observations. In its original form, PLoM constructs a reduced-order probabilistic model by combining three main components: (a) kernel density estimation to approximate the underlying probability measure, (b) Diffusion Maps to characterize the manifold of the data, and (c) a reduced-order Itô Stochastic Differential Equation (ISDE) to sample from the learned distribution. However, its sampling dynamics are posed in the ambient space and the retained number of reduced coordinates is chosen by projection-reconstruction error. In practice, this often (i) requires more coordinates than the data’s intrinsic dimension to achieve stable sampling and (ii) lacks a smooth, basis-independent lifting back to the data domain; moreover, standard Diffusion Maps emphasize harmonic eigenfunctions and can miss non-harmonic latent structure. We address these limitations by decoupling geometry learning from sampling: a first Diffusion Maps pass identifies non-harmonic coordinates on which we formulate a full-order ISDE directly in the latent space, while Double Diffusion Maps captures multiscale geometric features and Geometric Harmonics (GH) learns a smooth lifting map to the ambient variables that is independent of the particular diffusion basis. This hybrid design preserves the system’s dynamical richness with a compact geometric representation and enables principled out-of-sample inference. The effectiveness and robustness of the proposed method are illustrated through two numerical studies: one based on data generated from two-dimensional Hermite polynomial functions and another based on high-fidelity simulations of a detonation wave in a reactive flow.

Double diffusion maps

Energy spectrum of lost alpha particles in magnetic mirror confinement

In a magnetic mirror fusion reactor, capturing the energy of fusion-produced alpha particles is essential to sustaining the reaction. However, since alpha particles are born at energies much higher than the confining potential, a substantial fraction are lost due to pitch-angle scattering before they can transfer their energy to the plasma via drag. The energy of lost alpha particles can still be captured through direct conversion, but designing an effective mechanism requires a description of the energies and times at which they become deconfined. Here we present analytical solutions for the loss velocity, energy, and time distributions of alpha particles in a magnetic mirror. After obtaining the Fokker-Planck collision operator, we asymptotically solve for the eigenfunctions of the Legendre operator to reveal a closed-form solution. In conclusion, our framework applies to any high-energy species, for any applied potential and mirror ratio R > 1, making this work broadly applicable to mirror devices.

Confinement

An Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations

Large atomic-orbital (AO) basis sets of at least triple and preferably quadruple-ζ (QZ) size are required to adequately converge Kohn–Sham density functional theory (DFT) calculations toward the complete basis set limit. However, incrementing the cardinal number by one nearly doubles the AO basis dimension, and the computational cost scales as the cube of the AO dimension, so this is very computationally demanding. Here, in this work, we develop and test a threshold-based natural atomic orbital (NAO) scheme in which ϵ-NAOs are obtained as eigenfunctions of atomic blocks of the density matrix in a one-center orthogonalized representation. This enables compression of the AO basis that is optimal for a given threshold, 10 –ϵ , by discarding NAOs with occupation numbers below that threshold. Extensive pilot test calculations using the Hartree–Fock functional and taking the converged density matrix as input suggest that a threshold of 10 –5 can yield a compression factor (ratio of AO to compressed ϵ-NAO dimension) between 2.5 and 4.5 for the QZ pc-3 basis. The errors in relative energies are typically less than 0.1 kcal/mol when the compressed basis is used instead of the uncompressed basis. Between 10 and 100 times smaller errors (i.e., usually less than 0.01 kcal/mol) can be obtained with a threshold 10 –7 , while the compression factor is typically between 2 and 2.5.

basis sets

Embedded random phase approximation for magnetic systems: H 2 dissociative adsorption on Fe(110)

The random phase approximation (RPA), a method for treating electron correlation, has been shown to be superior to standard density functional theory (DFT) approximations in numerous cases. However, the RPA’s computational cost is substantially higher than that of DFT, particularly restricting its application to extended surfaces. The recently introduced embedded RPA (emb-RPA) approach [Wei et al., J. Chem. Phys. 159(19), 194108 (2023)] reduces this computational cost by approximately two orders of magnitude. While previous applications of emb-RPA focused on non-spin-polarized systems, here we extend the approach to ferromagnetic ones. Unlike other embedded correlated wavefunction methods, such as embedded complete active space self-consistent field theory, emb-RPA is advantageous for spin-polarized systems because the RPA is compatible with unrestricted DFT solutions, which are eigenfunctions of the spin angular momentum operator S z but not the total spin-squared operator S 2 . By applying emb-RPA with specific magnetization constraints, we achieved a speedup of two to three orders of magnitude (one order when accounting for the one-time embedding potential optimization cost) with only small errors (∼50 meV) compared to full periodic RPA. Moreover, emb-RPA significantly reduces the over-binding errors of DFT approximations. In conclusion, we anticipate that the acceleration enabled by the spin-polarized emb-RPA approach will broaden the applicability of RPA to magnetic materials.

Density functional theory

Investigation of tearing mode stability near ideal stability boundaries via asymptotic matching techniques

A number of improvements to the TJ toroidal tearing mode code [Fitzpatrick, Phys. Plasmas 31, 102507 (2024)] are documented. The TJ code is also successfully benchmarked against the STRIDE toroidal tearing mode code [Glasser and Koleman, Phys. Plasmas 25, 082502 (2018)]. Finally, the new capabilities of the TJ code are used to investigate the stability of tearing modes in tokamak plasmas as an ideal stability boundary, associated with either an external-kink or an internal-kink mode, is approached. All elements of the tearing stability matrix are found to tend to infinity as an ideal stability boundary is approached. Furthermore, as the stability boundary is approached, the eigenfunctions of the various tearing modes in the plasma, which are decoupled by sheared plasma rotation, are all found to morph into that of the marginally stable ideal mode. However, the growth-rates and real frequencies of the various “ideal-tearing-modes” are different from one another. Moreover, the growth-rate of the ideal-tearing-mode that reconnects magnetic flux at the rational surface that lies closest to the edge of the plasma is the one that tends to a very large value as the stability boundary is approached. A relatively simple test for ideal stability that is capable of detecting stability boundaries for external-kink and internal-kink modes, even in the presence of a very close-fitting ideal wall, is described and verified.

FOS: Physical sciences

Dynamic mode decomposition for gyrokinetic eigenmode analysis

Dynamic mode decomposition (DMD) is a post-processing approach to decompose a complex time series into a set of modes via spectral analysis. DMD provides a new and powerful method to recover gyrokinetic drift-wave eigenfrequencies and eigenfunctions based only on the solution of the gyrokinetic-Maxwell initial value problem with almost no added cost to the initial value solver. In the present paper, DMD is applied to the CGYRO gyrokinetic code using a newly-developed CGYRO-DMD post-processor. CGYRO-DMD is numerically efficient, even on a single CPU. It does not set any restrictions on the plasma shape, beta (ratio of the plasma pressure to the magnetic field pressure), collisionality or number of species, and allows one to resolve numerous eigenmodes, even of comparable growth rates. In addition, DMD is not limited to unstable modes, but rather can capture stable and unstable branches simultaneously. In this work, we illustrate the accuracy of DMD through gyrokinetic analysis of mode transition for electromagnetic drift wave instabilities.

drift-wave eigenmodes

Analog and symbolic computation through the Koopman framework

We develop a Koopman operator framework for studying the computational structure of dynamical systems. Specifically, we show that the resolvent of the Koopman operator provides a natural abstraction of halting, yielding a ‘Koopman halting problem’ that is recursively enumerable in general. For symbolic systems, such as those defined on Cantor space, this operator formulation captures reachability between clopen sets, while for equicontinuous systems we prove that the Koopman halting problem is decidable. Our framework demonstrates that absorbing (halting) states in coarse-grained finite automata correspond to Koopman eigenfunctions with eigenvalue one, while cycles in the transition graph impose spectral constraints associated with periodic dynamics. These results provide a unifying perspective on computation in symbolic and analog systems, showing how computational universality is reflected in operator spectra, invariant subspaces, and algebraic structures. Beyond symbolic dynamics, this operator-theoretic lens opens pathways to analyze the computational properties of a broader class of dynamical systems, including polynomial and analog models, and suggests that computational hardness may admit dynamical signatures in terms of Koopman spectral structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Wall modes and the transition to bulk convection in rotating Rayleigh-Bénard convection

We investigate states of rapidly rotating Rayleigh-Bénard convection in a cylindrical cell over a range of Rayleigh numbers 3 × 10 5 ≤ Ra ≤ 5 × 10 9 and Ekman numbers 10 − 6 ≤ Ek ≤ 10 − 4 for Prandtl number Pr = 0.8 and aspect ratios 1 / 5 ≤ Γ ≤ 5 using direct numerical simulations. We characterize, for perfectly insulating sidewall boundary conditions, the first transition to convection via wall mode instability and the nonlinear growth and instability of the resulting wall mode states, including a secondary transition to time dependence. We show how the radial structure of the vertical velocity u z and the temperature T is captured well by the linear eigenfunctions of the wall mode instability where the radial width of u z is δ u z ∼ Ek 1 / 3 r / H whereas δ T ∼ e − k r ( k is the wave number of a laterally infinite wall mode state). The disparity in spatial scales for Ek = 10 − 6 means that the heat transport is dominated by the radial structure of u z since T varies slowly over the radial scale δ u z . We further describe how the transition to a state of bulk convection is influenced by the presence of the wall mode states. We use temporal and spatial scales as measures of the local state of convection and the Nusselt number Nu as representative of global transport. Our results elucidate the evolution of the wall state of rotating convection and confirm that wall modes are strongly linked with the boundary zonal flow being the robust remnant of nonlinear wall mode states. We also show how the heat transport ( Nu ) contributions of wall modes and bulk modes are related and discuss approaches to disentangling their relative contributions. Published by the American Physical Society 2024

58 GEOSCIENCES

Forward variable selection enables fast and accurate dynamic system identification with Karhunen-Loève decomposed Gaussian processes

A promising approach for scalable Gaussian processes (GPs) is the Karhunen-Loève (KL) decomposition, in which the GP kernel is represented by a set of basis functions which are the eigenfunctions of the kernel operator. Such decomposed kernels have the potential to be very fast, and do not depend on the selection of a reduced set of inducing points. However KL decompositions lead to high dimensionality, and variable selection thus becomes paramount. This paper reports a new method of forward variable selection, enabled by the ordered nature of the basis functions in the KL expansion of the Bayesian Smoothing Spline ANOVA kernel (BSS-ANOVA), coupled with fast Gibbs sampling in a fully Bayesian approach. It quickly and effectively limits the number of terms, yielding a method with competitive accuracies, training and inference times for tabular datasets of low feature set dimensionality. Theoretical computational complexities are O ( N P 2 ) in training and O ( P ) per point in inference, where N is the number of instances and P the number of expansion terms. The inference speed and accuracy makes the method especially useful for dynamic systems identification, by modeling the dynamics in the tangent space as a static problem, then integrating the learned dynamics using a high-order scheme. The methods are demonstrated on two dynamic datasets: a ‘Susceptible, Infected, Recovered’ (SIR) toy problem, along with the experimental ‘Cascaded Tanks’ benchmark dataset. Comparisons on the static prediction of time derivatives are made with a random forest (RF), a residual neural network (ResNet), and the Orthogonal Additive Kernel (OAK) inducing points scalable GP, while for the timeseries prediction comparisons are made with LSTM and GRU recurrent neural networks (RNNs) along with the SINDy package.

Hayes, Kyle

The Scaling and Units of the Elastic Response Term for Rayleigh Waves that is Output by Computer Programs in Seismology (CPS)

We report on the scaling and units of the Rayleigh wave elastic response function A R (ω) that is output from the widely used Computer Programs in Seismology (CPS) to aid in the modeling of ground motion sourced by atmospheric explosions. The program uses mixed units (km, second, km/s, gm/cc) to keep A R (ω) near 10 0 and prevent any numerical underflow or overflow. We compare two models for the response of an elastic half space to the output from CPS. Our application inputs the recommended, mixed unit geological models to determine how researchers must scale this output to obtain physical units for A R (ω) that represents the amplitude scaling for the minimum group velocity (Airy phase) contribution to Rayleigh waves. We determine that a CPS user must scale the output for A R (ω) by 10 -12 (m/km) 2 (g/cc/m 3 /kg) to obtain MKS (meter, kg, second) units and then must multiply this result by the vertical component eigenfunction squared, that is evaluated at the free surface.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF