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DOE OSTI2022

Spin relaxation rate for heavy quarks in weakly coupled QCD plasma

We compute the relaxation rate of the spin density of heavy quarks in a perturbative QCD plasma to leading-log order in the coupling constant g. The spin relaxation rate Γ s in spin hydrodynamics is shown to be Γ s ~ g 4 log(1/g)T(T/M) 2 in the heavy-quark limit T/M $\ll$ 1, which is smaller than the relaxation rate of other non- hydrodynamic modes by additional powers of T/M. We demonstrate three different methods to evaluate the spin relaxation rate: 1) the Green-Kubo formula in the spin hydrodynamic regime, 2) the spin density correlation function in the strict hydrodynamic limit, and 3) quantum kinetic theory of the spin distribution function in momentum space. We highlight the interesting differences between these methods, while they are ultimately connected to each other by the underlying Ward-Takahashi identity for the non-conserved spin density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Analyzing Wildland Fire Smoke Emissions Data Using Compositional Data Techniques

By conservation of mass, the mass of wildland fuel that is pyrolyzed and combusted must equal the mass of smoke emissions, residual char and ash. For a given set of conditions, these amounts are fixed. This places a constraint on smoke emissions data which violates statistical assumptions for many of the methods currently used to analyze these data such as linear regression, analysis of variance, and t-tests. These data are inherently multivariate and non-negative parts of a whole. This paper introduces the field of compositional data analysis to the emissions community and provides examples of appropriate statistical treatment of emissions data. It is shown that modified combustion efficiency should not be used as a predictor variable for other smoke emissions because it is not an independent variable. An alternative method based on compositional linear trends to estimate trace gas composition using CO and CO2 is presented. The data used in this paper resulted from projects the DOD/DOE/EPA Strategic 586 Environmental Research and Development Program projects RC-1648 and 1649. The senior 587 author appreciates the guidance and R scripts provided by Prof. Girty at San Diego State 588 University to estimate linear trends by perturbation. J. P.-A. was supported by the Spanish 589 Ministry of Science, Innovation and Universities under the project CODAMET (RTI2018-590 095518-B-C21, 2019-2021). The data used in this study have been previously published and are 591 available in the original publications. DRW conceived the initial manuscript (70 percent) and 592 performed the bulk of the data analysis. JPA provided statistical guidance and compositional data 593 expertise and contributed 20 percent of the manuscript. TJJ and HJ were extensively involved in 594 the study that provided the data. TJJ provide smoke emissions expertise and HJ provided 595 combustion expertise. The authors declare that they have no conflict of interest. The use of trade 596 or firm names in this publication is for reader information and does not imply endorsement by 597 the U.S. Department of Agriculture of any product or service.

simplex, compositional data analysis, balance, log↗

DOE OSTI2024

Superconductivity in a topological lattice model with strong repulsion

The highly tunable nature of synthetic quantum materials-both in the solid-state and cold atom contexts-invites examining which microscopic ingredients aid in the realization of correlated phases of matter such as superconductors. Recent experimental advances in moiré materials suggest that unifying the features of the Fermi-Hubbard model and quantum Hall systems creates a fertile ground for the emergence of such phases. Here, we introduce the "double Hofstadter"model, a minimal 2D lattice model that incorporates exactly these features: Time-reversal symmetry, band topology, and strong repulsive interactions. By using infinite cylinder density matrix renormalization group methods (cylinder iDMRG), we investigate the ground state phase diagram of this model. We find that it hosts an interaction-induced quantum spin Hall insulator and demonstrate that weakly hole-doping this state gives rise to a superconductor at a finite circumference, with indications that this behavior persists on larger cylinders. Further, at the aforementioned circumference, the superconducting phase is surprisingly robust to perturbations including additional repulsive interactions in the pairing channel. By developing a technique to probe the superconducting gap function in iDMRG, we phenomenologically characterize the superconductor. Namely, we demonstrate that it is formed from the weak pairing of holes atop the quantum spin Hall insulator. Furthermore, we determine the pairing symmetry of the superconductor, finding it to be p-wave-reminiscent of the unconventional superconductivity reported in experiments on twisted bilayer graphene (TBG). Motivated by this, we elucidate structural similarities and differences between our model and those of TBG in its chiral limit. Finally, to provide a more direct experimental realization, we detail an implementation of our Hamiltonian in a system of cold fermionic alkaline-earth atoms in an optical lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Large-scale Linear Magnetic Holes with Magnetic Mirror Properties in Hybrid Simulations of Solar Wind Turbulence

Magnetic holes (MHs) are coherent magnetic field dips whose size ranges from fluid to kinetic scale, ubiquitously observed in the heliosphere and in planetary environments. Despite the long-standing effort in interpreting the abundance of observations, the origin and properties of MHs are still debated. In this Letter, we investigate the interplay between plasma turbulence and MHs, using a 2D hybrid simulation initialized with solar wind parameters. We show that fully developed turbulence exhibits localized elongated magnetic depressions, whose properties are consistent with linear MHs frequently encountered in space. The observed MHs develop self-consistently from the initial magnetic field perturbations by trapping hot ions with large pitch angles. Ion trapping produces an enhanced perpendicular temperature anisotropy that makes MHs stable for hundreds of ion gyroperiods, despite the surrounding turbulence. We introduce a new quantity, based on local magnetic field and ion temperature values, to measure the efficiency of ion trapping, with potential applications to the detection of MHs in satellite measurements. We complement this method by analyzing the ion velocity distribution functions inside MHs. Our diagnostics reveal the presence of trapped gyrotropic ion populations, whose velocity distribution is consistent with a loss cone, as expected for the motion of particles inside a magnetic mirror. Our results have potential implications for the theoretical and numerical modeling of MHs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Size dependence in chord characteristics from simulated and observed continental shallow cumulus

Abstract. In this study we compare long-term Doppler and Raman lidar observations against a full month of large eddy simulations of continental shallow cumulus clouds. The goal is to evaluate if the simulations can reproduce the mean observed vertical velocity and moisture structure of cumulus clouds and their associated subcloud circulations, as well as to establish if these properties depend on the size of the cloud. We propose methods to compare continuous chords of cloud detected from Doppler and Raman lidars with equivalent chords derived from 1D and 3D model output. While the individual chords are highly variable, composites of thousands of observed and millions of simulated chords contain a clear signal. We find that the simulations underestimate cloud size and fraction but successfully reproduce the observed structure of vertical velocity and moisture perturbations. There is a clear scaling of vertical velocity and moisture anomalies below the chords with chord size, but the moisture anomalies are only 1 %–2 % higher than the horizontal mean values. The differences between the observations and simulations are smaller than the difference in sampling the modeled chords in time or space. The shape of the vertical velocity and moisture anomalies from cloud chords sampled spatially from 3D model snapshots is almost perfectly symmetric. In contrast, the chords sampled temporally from the lidar observations and 1D model output have a marked asymmetry, with stronger updrafts and higher moisture anomalies occurring earlier on.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Analysis of limited coverage effects on areal density measurements in inertial confinement fusion implosions

Accurate diagnosis of areal density ($\textit{ρR}$) is critical for the inference of performance metrics in inertial confinement fusion implosions. One potential source of error in this diagnosis is the existence of low mode perturbations in the imploding target, which lead to asymmetries in the inference of the $\textit{ρR}$ from different lines of sight. Here, the error accrued as a result of limited coverage of the sphere due to a finite number of detectors is quantified, and the development of a forward scatter measurement from the OMEGA neutron time-of-flight detectors is motivated. In this work, a method by which the 1D-equivalent 4 π-averaged $\langleρR\rangle$ can be reconstructed, if accurate mode information can be diagnosed by other means, is validated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

An accurate perturbative approach to redshift space clustering of biased tracers in modified gravity

We extend the scale-dependent Gaussian Streaming Model (GSM) to produce analytical predictions for the anisotropic redshift-space correlation function for biased tracers in modified gravity models. Employing the Convolution Lagrangian Perturbation Theory (CLPT) re-summation scheme, with a local Lagrangian bias schema provided by the peak-background split formalism, we predict the necessary ingredients that enter the GSM, the real-space halo pairwise velocity and the pairwise velocity dispersion. We further consider effective field theory contributions to the pairwise velocity dispersion in order to model correctly its large scale behavior. We apply our method on two widely-considered modified gravity models, the chameleon-screened ƒ(R) Hu-Sawicki model and the nDGP Vainshtein model and compare our predictions against state-of-the-art N-body simulations for these models. We demonstrate that the GSM approach to predict the monopole and the quadrupole of the redshift-space correlation function for halos, gives very good agreement with the simulation data, for a wide range of screening mechanisms, levels of screening and halo masses at z = 0.5 and z = 1. Our work shows the applicability of the GSM, for cosmologies beyond GR, demonstrating that it can serve as a powerful predictive tool for the next stage of cosmological surveys like DESI, Euclid, LSST and WFIRST.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Imaging ring-current wave packets in the helium atom

We study the reconstruction of a wave packet and the corresponding electron dynamics in an atom via photoelectron angular distributions (PADs) in a pump-probe scheme as a function of time delay. The method is applied to the superposition of ground and one or two excited states in helium atom representing field-free charge migrations on the attosecond timescale in form of ring currents around the core. It is based on the interference between one- and two-photon transitions from ground and excited states into the continuum. In the reconstruction predictions of first- and second-order perturbation theory are used to determine the unknown phases and amplitudes from the PADs, which we simulate via solutions of the time-dependent Schrödinger equation in single-active-electron approximation. Results of calculations show that the reconstruction technique works well for peak laser intensities less than 10 13 W/cm 2 . Knowledge of the electric field of the probe pulse is required with shot-to-shot variations of carrier-to-envelope phase and peak intensity of up to 10% and 20%, respectively. The relevance of different one- and two-photon pathways for the reconstruction as a function of peak intensity and pulse duration is analyzed—specifically their role for ultrashort probe pulses with broad bandwidths.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Self-consistent analysis for the η c → γ γ process

The next-to-next-to-leading-order (NNLO) perturbative QCD (pQCD) predictions for both the decay width and the transition form factor in the η c → γ γ process, based on nonrelativistic QCD (NRQCD), deviate from precise experimental measurements. These significant discrepancies have cast doubt on the applicability of NRQCD to charmonium processes. In this paper, we analyze the η c → γ γ process by applying the principle of maximum conformality (PMC), a systematic method for eliminating renormalization scheme-and-scale ambiguities. The PMC renormalization scales are determined by absorbing the nonconformal β -terms that govern the behavior of the QCD running coupling via the renormalization group equation. We obtain the PMC scale Q ⋆ = 4.49 m c for the η c → γ γ decay width. Even after using the PMC method, the convergence of the pQCD series is still poor, which indicates the importance of uncalculated next-to-next-to-next-to-leading-order and higher-order terms. The resulting value for Γ η c → γ γ is in agreement with the Particle Data Group’s reported value of Γ η c → γ γ = 5.1 ± 0.4 keV within the bounds of uncertainties. Moreover, the transition form factor obtained using the PMC is also in good agreement with precise experimental measurements. The application of the PMC suggests a potential resolution to η c → γ γ puzzle and supports the applicability of NRQCD to charmonium processes. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Locating the Source of Forced Oscillations in Transmission Power Grids

A forced oscillation event in power grids refers to a state where malfunctioning or abnormally operating equipment causes persisting periodic disturbances in the system. While power grids are designed to damp most perturbations during standard operations, some of them can excite normal modes of the system and cause significant energy transfers across the system, creating large oscillations thousands of miles away from the source. Localization of the source of such disturbances remains an outstanding challenge due to a limited knowledge of the system parameters outside of the zone of responsibility of system operators. Here, we propose a new method for locating the source of forced oscillations that addresses this challenge by performing a simultaneous dynamic model identification using a principled maximum likelihood approach. We illustrate the validity of the algorithm on a variety of examples where forcing leads to resonance conditions in the system dynamics. Our results establish that an accurate knowledge of system parameters is not required for a successful inference of the source and frequency of a forced oscillation. We anticipate that our method will find a broader application in general dynamical systems that can be well described by their linearized dynamics over short periods of time.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Space-Split Algorithm for Sensitivity Analysis of Discrete Chaotic Systems With Multidimensional Unstable Manifolds

Accurate approximations of the change of a system's output and its statistics with respect to the input are highly desired in computational dynamics. Ruelle's linear response theory provides breakthrough mathematical machinery for computing the linear response of chaotic dynamical systems. In this paper, we propose an algorithm for sensitivity analysis of discrete chaos with an arbitrary number of positive Lyapunov exponents. We combine the concept of perturbation space-splitting, which regularizes Ruelle's original expression, together with measure-based parameterization of the expanding subspace. We use these tools to rigorously derive trajectory-following recursive relations that converge exponentially fast, and construct a memory-efficient Monte Carlo scheme for derivatives of the output statistics. Thanks to the regularization and lack of simplifying assumptions on the system's behavior, our method is immune to the common problems of other popular methods such as the exploding tangent solutions and unphysical shadowing directions. Here, we provide a ready-to-use algorithm, analyze its complexity, and demonstrate several numerical examples of sensitivity computation using physically-inspired low-dimensional systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

The Double-edged Sword of Data-driven Super-Resolution: Adversarial Super-resolution Models

Data-driven super-resolution (SR) methods are often integrated into imaging pipelines as preprocessing steps to improve downstream tasks such as classification and detection. However, these SR models introduce a previously unexplored attack surface into imaging pipelines. In this paper, we present AdvSR, a framework demonstrating that adversarial behavior can be embedded directly into SR model weights during training, requiring no access to inputs at inference time. Unlike prior attacks that perturb inputs or rely on backdoor triggers, AdvSR operates entirely at the model level. By jointly optimizing for reconstruction quality and targeted adversarial outcomes, AdvSR produces models that appear benign under standard image quality metrics while inducing downstream misclassification. We evaluate AdvSR on three SR architectures (SRCNN, EDSR, SwinIR) paired with a YOLOv11 classifier and demonstrate that AdvSR models can achieve high attack success rates with minimal quality degradation. These findings highlight a new model-level threat for imaging pipelines, with implications for how practitioners source and validate models in safety-critical applications.

Sullivan, Haley [ORNL] (ORCID:0000000274069217)↗

DOE OSTI2022

DERMS Online: A New Voltage Sensitivity-Enabled Feedback Optimization Framework: Preprint

This paper proposes a distributed energy resource management system (DERMS) solution by developing a new voltage sensitivity enabled feedback optimization framework. The key idea is to adopt a measurement feedback scheme to reformulate the original nonlinear optimization into a linear programming (LP) problem via perturb and observe-based voltage sensitivity analysis. The proposed solution eliminates the dependence on load knowledge and can be implemented online thanks to an efficient open-source solver for LP problems. The proposed DERMS online platform is generalizable to deal with various types of distributed energy resources (DERs), including distributed photovoltaics (PVs), energy storage, electric vehicles, demand response, etc. Comparison results with other control methods on a realistic distribution feeder in Southern California highlight the feasibility as well as benefits for the proposed framework.

distributed energy resources management↗

DOE OSTI2024

On the intermediate Jacobian of M5-branes

Abstract We study Euclidean M5-branes wrapping vertical divisors in elliptic Calabi-Yau fourfold compactifications of M/F-theory that admit a Sen limit. We construct these Calabi-Yau fourfolds as elliptic fibrations over coordinate flip O3/O7 orientifolds of toric hypersurface Calabi-Yau threefolds. We devise a method to analyze the Hodge structure (and hence the dimension of the intermediate Jacobian) of vertical divisors in these fourfolds, using only the data available from a type IIB compactification on the O3/O7 Calabi-Yau orientifold. Our method utilizes simple combinatorial formulae (that we prove) for the equivariant Hodge numbers of the Calabi-Yau orientifolds and their prime toric divisors, along with a formula for the Euler characteristic of vertical divisors in the corresponding elliptic Calabi-Yau fourfold. Our formula for the Euler characteristic includes a conjectured correction term that accounts for the contributions of pointlike terminal ℤ 2 singularities corresponding to perturbative O3-planes. We check our conjecture in a number of explicit examples and find perfect agreement with the results of direct computations.

Physics↗

DOE OSTI2021

A comparative study of machine learning models for predicting the state of reactive mixing

Mixing phenomena are important mechanisms controlling flow, species transport, and reaction processes in fluids and porous media. Accurate predictions of reactive mixing are critical for many Earth and environmental science problems such as contaminant fate and remediation, macroalgae growth, and plankton biomass evolution. Here, to investigate the evolution of mixing dynamics under different scenarios (e.g., anisotropy, fluctuating velocity fields), a finite-element-based numerical model was built to solve the fast, irreversible bimolecular reaction-diffusion equations to simulate a range of reactive-mixing scenarios. A total of 2,315 simulations were performed using different sets of model input parameters comprising various spatial scales of vortex structures in the velocity field, time-scales associated with velocity oscillations, the perturbation parameter for the vortex-based velocity, anisotropic dispersion contrast (i.e., ratio of longitudinal-to-transverse dispersion), and molecular diffusion. The outputs comprised concentration profiles of reactants and products. The inputs to and outputs from these simulations were concatenated into feature and label matrices, respectively, to train 20 different machine learning (ML) models intended to emulate system behavior. These 20 ML emulators, based on linear methods, Bayesian methods, ensemble learning methods, and multilayer perceptrons (MLPs), were trained to classify the state of mixing and predict three quantities of interest (QoIs) characterizing species production, decay (i.e., average concentration, square of average concentration), and degree of mixing (i.e., variances of species concentration). Unsurprisingly, linear classifiers and regressors failed to reproduce the QoIs; however, ensemble methods (classifiers and regressors) and the MLP model accurately classified the state of reactive mixing and the QoIs. Among ensemble methods, random forest and decision-tree-based AdaBoost faithfully predicted the QoIs. At run time, trained ML emulators produced results times faster than the finite-element simulations. Due to their low computational expense and high accuracy, ensemble and MLP models are excellent emulators for these numerical simulations and great utilities in uncertainty quantification exercises, which can require 1,000s of forward model runs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Phonon Dispersion Relation of Bulk Boron-Doped Graphitic Carbon

In this work, bulk turbostratic graphitic carbon of varying levels of disorder and chemical compositions has been synthesized by a direct synthesis method in the temperature range of 750–1100 °C, with a focus on boron incorporation within the graphitic lattice. The atomistic and electronic/vibrational structures were characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy, Auger electron spectroscopy, X-ray absorption spectroscopy, and Raman spectroscopy. The phonon dispersion relation of graphitic carbon was found to be uniquely sensitive to substitutional boron doping, which perturbs the phonon structure while leaving the lattice structure unchanged. The dispersion relation of the D peak measured by Raman spectroscopy can be used to uniquely identify bulk graphitic materials containing a large content of ordered trigonal planar g-BC 3 units, which are of high interest in applications ranging from hydrogen storage to lithium-ion batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Comparisons Between Array Derived Dynamic Strain Rate (ADDS) and Fiber‐Optic Distributed Acoustic Sensing (DAS) Strain Rate

Abstract Distributed acoustic sensing (DAS) strain rate and particle velocity can be compared through approximate scaling with medium velocity. We instead performed a direct comparison between array derived dynamic strain (ADDS) rate and DAS strain rate for six frequency bands. The PoroTomo project at Brady's Hot Springs, Nevada, deployed a 240‐geophone 3C array co‐located with fiber‐optic DAS system and 8.7 km of buried cable. We selected subsets of the geophone array to create four smaller arrays and computed ADDS. The horizontal components of the ADDS were rotated into the direction of the fiber‐optic cable and then compared with the observed DAS strain rates. From three example regional earthquakes of local magnitudes 2.9, 4.1, and 4.3, the ADDS are found to be coherent with DAS for frequencies ≤1 Hz. For frequencies >1‐Hz, this correlation decays quickly. Small differences between linear and areal dynamic strains at 1‐Hz suggest poor signal‐to‐noise or localized strain that is perturbed by shallow heterogeneities compare to the average strain propagating across the geophone array. The implication is that around 1‐Hz, straight fiber DAS is measuring axial strain along the fiber and can provide good approximations to translational particle motions. However, above 1‐Hz, DAS becomes more sensitive to shallow velocity gradients that can be beneficial for geophysical imaging yet becomes a limitation for traditional seismic analysis methods depending on absolute amplitude and phase from translational particle motions.

58 GEOSCIENCES↗

DOE OSTI2024

Ising meson spectroscopy on a noisy digital quantum simulator

Abstract Quantum simulation has the potential to be an indispensable technique for the investigation of non-perturbative phenomena in strongly-interacting quantum field theories (QFTs). In the modern quantum era, with Noisy Intermediate Scale Quantum (NISQ) simulators widely available and larger-scale quantum machines on the horizon, it is natural to ask: what non-perturbative QFT problems can be solved with the existing quantum hardware? We show that existing noisy quantum machines can be used to analyze the energy spectrum of several strongly-interacting 1+1D QFTs, which exhibit non-perturbative effects like ‘quark confinement’ and ‘false vacuum decay’. We perform quench experiments on IBM’s quantum simulators to compute the energy spectrum of 1+1D quantum Ising model with a longitudinal field. Our results demonstrate that digital quantum simulation in the NISQ era has the potential to be a viable alternative to numerical techniques such as density matrix renormalization group or the truncated conformal space methods for analyzing QFTs.

Science & Technology - Other Topics↗