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DOE OSTI2022

Lighting System Control Data to Improve Design and Operation: Tunable Lighting System Data from NICU Patient Rooms

The advancement of LED and controls technology, computing capacity, and software provides new opportunities for researchers and designers to work together to further optimize spaces for occupant benefit. Here, lighting system control data from five neonatal intensive care unit patient rooms was collected over a 25-week monitoring period and analyzed to better understand occupant response to a tunable lighting system with automatic transitions throughout the day. Lighting systems are very rarely refined after installation based on actual use. Objective data detailing how the lighting system is used by the actual occupants highlights the opportunities for optimization after installation and provides insight for improving the next design. As use of the data becomes more commonplace, it can be leveraged for design recommendations. The collection of the data required no additional cost beyond the time for examining the data. The analysis revealed several clear opportunities for improvement, including adjustments to the default control setting at night, re-labeling of the control stations, and adjustments to the nighttime fade rate. The patient room occupants were active users of the different zones, dimming options, and manual overrides made available by the lighting system.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Improving commercial truck fleet composition in emission modeling using 2021 US VIUS data

Commercial trucks are essential elements of the nation's supply chain system. Meanwhile, intensive truck movements contribute significantly to system externalities, such as energy use and air pollution. However, collecting detailed fleet composition and distribution of operational patterns remains a barrier to accurately accounting for these impacts. The recently released 2021 US Vehicle Inventory and Use Survey (US VIUS) fills a critical gap in understanding commercial truck fleet distributions, their operations, and business constraints at the national scale. This study aims to understand the latest US commercial vehicle fleet composition and operational characteristics using 2021 US VIUS data and calibrate the fleet inputs in regulatory emission models to assess the potential emission implications of the VIUS-derived fleet composition. The emission rates for commercial trucks and default fleet composition are collected from the U.S. EPA's MOtor Vehicle Emission Simulator (MOVES4). The 2021 US VIUS data is applied to improve fleet characteristics such as the long-haul fraction and the vehicle mileage accumulation rate. The study also investigates potential emission reduction benefits under various forecasted fleet electrification scenarios. The energy consumption and critical air pollutant rates by vehicle types are compared between MOVES4 and US VIUS fleets for both current and future scenarios to provide insights into the latest U.S. commercial vehicle fleet characteristics and their implications on energy and emissions. This study helps policymakers and practitioners advance the commercial fleet generation for emission models. It also deepens the understanding of the emission reduction potential of the commercial fleet under various fleet projections.

2021 US VIUS↗

DOE OSTI2021

Bayesian inference of the incompressibility, skewness and kurtosis of nuclear matter from empirical pressures in relativistic heavy-ion collisions

Within the Bayesian statistical framework we infer the incompressibility K 0 , skewness J 0 and kurtosis Z 0 parameters of symmetric nuclear matter (SNM) at its saturation density ρ 0 using the constraining bands on the pressure in cold SNM in the density range of 1.3ρ 0 to 4.5ρ 0 from transport model analyses of kaon production and nuclear collective flow in relativistic heavy-ion collisions. As the default option assuming the K 0 , J 0 and Z 0 have Gaussian prior probability distribution functions (PDFs) with the means and variances of 235±30, -200±200 and -146±1728 MeV, their posterior most probable values are narrowed down to 192$^{+12}_{-16}$ MeV, -180$^{+100}_{-110}$ MeV and ${\mathrm{200}}_{-250}^{+250}$ at 68% confidence level, respectively. The results are largely independent of the prior PDFs of J 0 and Z 0 used. However, if one adopts the strong belief that the incompressibility K 0 has a uniform prior PDF within its absolute boundary of 220–260 MeV as one can find easily in the literature, the posterior most probable values of K 0 , J 0 and Z 0 shift to ${K}_{0}=22{0}_{-0}^{+6}$ MeV, ${J}_{0}=-39{0}_{-70}^{+60}$ MeV and ${Z}_{0}=60{0}_{-200}^{+200}$ MeV, respectively. While the posterior PDFs of the SNM EOS parameters depend somewhat on the prior PDF of K 0 used, the results from using different prior PDFs are qualitatively consistent. The uncertainties of all three parameters are significantly reduced especially for the J 0 and Z 0 parameters compared to their current values.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Antiproton bounds on dark matter annihilation from a combined analysis using the DRAGON2 code

Abstract Early studies of the AMS-02 antiproton ratio identified a possible excess over the expected astrophysical background that could be fit by the annihilation of a weakly interacting massive particle (WIMP). However, recent efforts have shown that uncertainties in cosmic-ray propagation, the antiproton production cross-section, and correlated systematic uncertainties in the AMS-02 data, may combine to decrease or eliminate the significance of this feature. We produce an advanced analysis using the DRAGON2 code which, for the first time, simultaneously fits the antiproton ratio along with multiple secondary cosmic-ray flux measurements to constrain astrophysical and nuclear uncertainties. Compared to previous work, our analysis benefits from a combination of: (1) recently released AMS-02 antiproton data, (2) updated nuclear fragmentation cross-section fits, (3) a rigorous Bayesian parameter space scan that constrains cosmic-ray propagation parameters.We find no statistically significant preference for a dark matter signal and set strong constraints on WIMP annihilation tobb̅, ruling out annihilation at the thermal cross-section for dark matter masses below ∼ 200 GeV. We do find a positive residual that is consistent with previous work, and can be explained by a ∼ 70 GeV WIMP annihilating below the thermal cross-section. However, our default analysis finds this excess to have a local significance of only 2.8σ, which is decreased to 1.8σwhen the look-elsewhere effect is taken into account.

Astronomy & Astrophysics↗

DOE OSTI2020

Enhancement of Unsteady and 3D Aerodynamics Models using Machine Learning

Unsteady aerodynamics will be an important part of the floating wind turbines of the future operating under high shear across the rotor disk coupled with platform motion and atmospheric turbulence. We develop an unsteady aerodynamics and dynamic stall model using a long short-term memory variant of recurrent neural networks. The neural network model is trained using the oscillating airfoil data set from Ohio State University. The predictions from our machine learning (ML)-based model show good agreement with the experimental data and other state-of-the-art dynamic stall models for a wide range of airfoils, Reynolds numbers and reduced frequencies. In some cases the predictions are better than the Beddoes-Leishman model implementation in OpenFAST, when using the default coefficients. The ML-based model is also able to capture the key physics associated with dynamic stall, such as the precedence of moment stall before lift stall and cycle-to-cycle variations in the aerodynamic response. The new unsteady aerodynamics model is expected to improve prediction of fatigue loads for yaw-based wake-steering control scenarios in actuator-line and actuator-disc simulations of wind farms. Our methodology for training the ML-model provides a pathway for improving design level tools using high-fidelity computational fluid dynamics (CFD) simulations in the future.

17 WIND ENERGY↗

DOE OSTI2024

Comparison of steady-state analytical wake models implemented in wind farm analysis software

A common set of mathematical wind turbine wake models are implemented in a few, well-adopted computational tools for wind farm wake modelling. Although the referenced mathematical formulations are common, implementation details may lead to differences in results. This study presents a systematic comparison of the implementation of mathematical wake models in open source, Python-based wind turbine wake modelling software, and a set of the models are directly compared. Despite aligning only the mathematical model parameters and retaining the default computational model parameters, good agreement is found across most of the model implementations, and additional agreement is expected upon further parameters alignment.

17 WIND ENERGY↗

DOE OSTI2021

Differentiable programming for online training of a neural artificial viscosity function within a staggered grid Lagrangian hydrodynamics scheme

Lagrangian methods to solve the inviscid Euler equations produce numerical oscillations near shock waves. A common approach to reducing these oscillations is to add artificial viscosity (AV) to the discrete equations. The AV term acts as a dissipative mechanism that attenuates oscillations by smearing the shock across a finite number of computational cells. However, AV introduces several control parameters that are not determined by the underlying physical model, and hence, in practice are tuned to the characteristics of a given problem. We seek to improve the standard quadratic-linear AV form by replacing it with a learned neural function that reduces oscillations relative to exact solutions of the Euler equations, resulting in a hybrid numerical-neural hydrodynamic solver. Because AV is an artificial construct that exists solely to improve the numerical properties of a hydrodynamic code, there is no offline ‘viscosity data’ against which a neural network can be trained before inserting into a numerical simulation, thus requiring online training. We achieve this via differentiable programming, i.e. end-to-end backpropagation or adjoint solution through both the neural and differential equation code, using automatic differentiation of the hybrid code in the Julia programming language to calculate the necessary loss function gradients. A novel offline pre-training step accelerates training by initializing the neural network to the default numerical AV scheme, which can be learned rapidly by space-filling sampling over the AV input space. We find that online training over early time steps of simulation is sufficient to learn a neural AV function that reduces numerical oscillations in long-term hydrodynamic shock simulations. These results offer an early proof-of-principle that online differentiable training of hybrid numerical schemes with novel neural network components can improve certain performance aspects existing in purely numerical schemes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

RhizoVision Explorer: open-source software for root image analysis and measurement standardization

Abstract Roots are central to the function of natural and agricultural ecosystems by driving plant acquisition of soil resources and influencing the carbon cycle. Root characteristics like length, diameter and volume are critical to measure to understand plant and soil functions. RhizoVision Explorer is an open-source software designed to enable researchers interested in roots by providing an easy-to-use interface, fast image processing and reliable measurements. The default broken roots mode is intended for roots sampled from pots and soil cores, washed and typically scanned on a flatbed scanner, and provides measurements like length, diameter and volume. The optional whole root mode for complete root systems or root crowns provides additional measurements such as angles, root depth and convex hull. Both modes support providing measurements grouped by defined diameter ranges, the inclusion of multiple regions of interest and batch analysis. RhizoVision Explorer was successfully validated against ground truth data using a new copper wire image set. In comparison, the current reference software, the commercial WinRhizo™, drastically underestimated volume when wires of different diameters were in the same image. Additionally, measurements were compared with WinRhizo™ and IJ_Rhizo using a simulated root image set, showing general agreement in software measurements, except for root volume. Finally, scanned root image sets acquired in different labs for the crop, herbaceous and tree species were used to compare results from RhizoVision Explorer with WinRhizo™. The two software showed general agreement, except that WinRhizo™ substantially underestimated root volume relative to RhizoVision Explorer. In the current context of rapidly growing interest in root science, RhizoVision Explorer intends to become a reference software, improve the overall accuracy and replicability of root trait measurements and provide a foundation for collaborative improvement and reliable access to all.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Standardizing experimental approaches to investigate interactions between bacteria and ectomycorrhizal fungi

Bacteria and ectomycorrhizal fungi (EcMF) represent two of the most dominant plant root-associated microbial groups on Earth, and their interactions continue to gain recognition as significant factors that shape forest health and resilience. Yet, we currently lack a focused review that explains the state of bacteria-EcMF interaction research in the context of experimental approaches and technological advancements. To these ends, we illustrate the utility of studying bacteria-EcMF interactions, detail outstanding questions, outline research priorities in the field, and provide a suite of approaches that can be used to promote experimental reproducibility, field advancement, and collaboration. Though this review centers on the ecology of bacteria, EcMF, and trees, it by default offers experimental and conceptual insights that can be adapted to various subfields of microbiology and microbial ecology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

SPiRaL: a multiresolution global tomography model of seismic wave speeds and radial anisotropy variations in the crust and mantle

SUMMARY SPiRaL is a joint global-scale model of wave speeds (P and S) and anisotropy (vertical transverse isotropy, VTI) variations in the crust and mantle. The model is comprised of >2.1 million nodes with five parameters at each node that capture velocity variations for P- and S-waves travelling at arbitrary directions in transversely isotropic media with a vertical symmetry axis (VTI). The crust (including ice, water, sediments and crystalline layers) is directly incorporated into the model. The default node spacing is approximately 2° in the lower mantle and 1° in the crust and upper mantle. The grid is refined with ∼0.25° minimum node spacing in highly sampled regions of the crust and upper mantle throughout North America and Eurasia. The data considered in the construction of SPiRaL includes millions of body wave traveltimes (crustal, regional and teleseismic phases with multiples) and surface wave (Rayleigh and Love) dispersion. A multiresolution inversion approach is employed to capture long-wavelength heterogeneities commonly depicted in global-scale tomography images as well as more localized details that are typically resolved in more focused regional-scale studies. Our previous work has demonstrated that such global-scale models with regional-scale detail can accurately predict both teleseismic and regional body wave traveltimes, which is necessary for more accurate location of small seismic events that may have limited signal at teleseismic distances. SPiRaL was constructed to predict traveltimes for event location and long-period waveform dispersion for seismic source inversion applications in regions without sufficiently tuned models. SPiRaL may also serve as a starting model for full-waveform inversion (FWI) with the goal of fitting waves with periods 10–50 s over multiple broad regions (thousands of kilometres) and potentially the globe. To gain insight to this possibility, we simulated waveforms for a small set of events using SPiRaL and independent waveform-based models for comparison. For the events tested, the performance of the traveltime-based SPiRaL model is shown to be generally on par with regional 3-D waveform-based models in three regions (western United States, Middle East, Korean Peninsula) suggesting SPiRaL may serve as a starting model for FWI over broad regions.

58 GEOSCIENCES↗

DOE OSTI2020

Testing dark matter halo properties using self-similarity

ABSTRACT We use self-similarity in N-body simulations of scale-free models to test for resolution dependence in the mass function and two-point correlation functions of dark matter haloes. We use 10243 particle simulations performed with abacus , and compare results obtained with two halo finders: friends-of-friends (fof ), and rockstar . The fof mass functions show a systematic deviation from self-similarity which is explained by resolution dependence of the fof mass assignment previously reported in the literature. Weak evidence for convergence is observed only starting from haloes of several thousand particles, and mass functions are overestimated by at least as much as $20-25{{\ \rm per\ cent}}$ for haloes of 50 particles. The mass function of the default rockstar halo catalogue (with bound virial spherical overdensity mass), on the other hand, shows good convergence of the order of 50 to 100 particles per halo, with no detectable evidence at the few percent level of any systematic dependence for larger particle number. Tests show that the mass unbinding procedure in rockstar is the key factor in obtaining this much improved resolution. Applying the same analysis to the halo–halo two point correlation function, we find again strong evidence for convergence only for rockstar haloes, at separations sufficiently large so that haloes do not overlap. At these separations, we can exclude dependence on resolution at the $5-10{{\ \rm per\ cent}}$ level once haloes have of the order of 50 to 100 particles. At smaller separations results are not converged even at significantly larger particle number, and bigger simulations would be required to establish the resolution required for convergence.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Convolutional neural network identification of galaxy post-mergers in UNIONS using IllustrisTNG

ABSTRACT The Canada–France Imaging Survey (CFIS) will consist of deep, high-resolution r-band imaging over ∼5000 deg2 of the sky, representing a first-rate opportunity to identify recently merged galaxies. Because of the large number of galaxies in CFIS, we investigate the use of a convolutional neural network (CNN) for automated merger classification. Training samples of post-merger and isolated galaxy images are generated from the IllustrisTNG simulation processed with the observational realism code RealSim. The CNN’s overall classification accuracy is 88 per cent, remaining stable over a wide range of intrinsic and environmental parameters. We generate a mock galaxy survey from IllustrisTNG in order to explore the expected purity of post-merger samples identified by the CNN. Despite the CNN’s good performance in training, the intrinsic rarity of post-mergers leads to a sample that is only ∼6 per cent pure when the default decision threshold is used. We investigate trade-offs in purity and completeness with a variable decision threshold and find that we recover the statistical distribution of merger-induced star formation rate enhancements. Finally, the performance of the CNN is compared with both traditional automated methods and human classifiers. The CNN is shown to outperform Gini–M20 and asymmetry methods by an order of magnitude in post-merger sample purity on the mock survey data. Although the CNN outperforms the human classifiers on sample completeness, the purity of the post-merger sample identified by humans is frequently higher, indicating that a hybrid approach to classifications may be an effective solution to merger classifications in large surveys.

Bickley, Robert W.↗

DOE OSTI2022

Constructing high-fidelity halo merger trees in abacussummit

ABSTRACT Tracking the formation and evolution of dark matter haloes is a critical aspect of any analysis of cosmological N-body simulations. In particular, the mass assembly of a halo and its progenitors, encapsulated in the form of its merger tree, serves as a fundamental input for constructing semi-analytic models of galaxy formation and, more generally, for building mock catalogues that emulate galaxy surveys. We present an algorithm for constructing halo merger trees from abacussummit, the largest suite of cosmological N-body simulations performed to date consisting of nearly 60 trillion particles, and which has been designed to meet the Cosmological Simulation Requirements of the Dark Energy Spectroscopic Instrument (DESI) survey. Our method tracks the cores of haloes to determine associations between objects across multiple time slices, yielding lists of halo progenitors and descendants for the several tens of billions of haloes identified across the entire suite. We present an application of these merger trees as a means to enhance the fidelity of abacussummit halo catalogues by flagging and ‘merging’ haloes deemed to exhibit non-monotonic past merger histories. We show that this cleaning technique identifies portions of the halo population that have been deblended due to choices made by the halo finder, but which could have feasibly been part of larger aggregate systems. We demonstrate that by cleaning halo catalogues in this post-processing step, we remove potentially unphysical features in the default halo catalogues, leaving behind a more robust halo population that can be used to create highly accurate mock galaxy realizations from abacussummit.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Comparison of sleep parameters from wrist-worn ActiGraph and Actiwatch devices

Abstract Sleep and physical activity, two important health behaviors, are often studied independently using different accelerometer types and body locations. Understanding whether accelerometers designed for monitoring each behavior can provide similar sleep parameter estimates may help determine whether one device can be used to measure both behaviors. Three hundred and thirty one adults (70.7 ± 13.7 years) from the Baltimore Longitudinal Study of Aging wore the ActiGraph GT9X Link and the Actiwatch 2 simultaneously on the non-dominant wrist for 7.0 ± 1.6 nights. Total sleep time (TST), wake after sleep onset (WASO), sleep efficiency, number of wake bouts, mean wake bout length, and sleep fragmentation index (SFI) were extracted from ActiGraph using the Cole–Kripke algorithm and from Actiwatch using the software default algorithm. These parameters were compared using paired t-tests, Bland–Altman plots, and Deming regression models. Stratified analyses were performed by age, sex, and body mass index (BMI). Compared to the Actiwatch, the ActiGraph estimated comparable TST and sleep efficiency, but fewer wake bouts, longer WASO, longer wake bout length, and higher SFI (all p < .001). Both devices estimated similar 1-min and 1% differences between participants for TST and SFI (β = 0.99, 95% CI: 0.95, 1.03, and 0.91, 1.13, respectively), but not for other parameters. These differences varied by age, sex, and/or BMI. The ActiGraph and the Actiwatch provide comparable absolute and relative estimates of TST, but not other parameters. The discrepancies could result from device differences in movement collection and/or sleep scoring algorithms. Further comparison and calibration is required before these devices can be used interchangeably.

Liu, Fangyu (ORCID:0000000315541478)↗

DOE OSTI2025

Bayesian optimization of PYTHIA 8 tunes

A new tune (set of model parameters) is found for the six most important parameters of the PYTHIA 8 final state parton shower and hadronization model using Bayesian optimization. The tune fits the Large Electron-Positron collider (LEPI) data from ALEPH better than the default tune in PYTHIA 8. To the best of our knowledge, we present the most comprehensive application of Bayesian optimization to the tuning of a parton shower and hadronization model using the LEPI data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

New H erwig7 underlying event tune: From RHIC to LHC energies

We present parameter sets corresponding to new underlying event tunes for the H erwig7.3 Monte Carlo event generator. The existing H erwig tunes are in good agreement with LHC data, however, they are not typically designed for center-of-mass energies below $\sqrt{𝑠}$ = 300 GeV. The tunes presented in this study can describe midrapidity data collected at the nominal RHIC energy of $\sqrt{𝑠}$ = 200 GeV as well as higher center-of-mass energies utilized by experiments at the LHC and Tevatron. The base “New Haven” tune is developed by fitting minimum-bias simulations of proton-proton ($𝑝⁢𝑝$) collisions to midrapidity identified hadron and jet data from the STAR experiment. The “Nashville” tune includes a separate set of parameters developed by tuning to Tevatron proton-antiproton ($𝑝\bar{⁢𝑝}$) data at $\sqrt{𝑠}$ = 300, 900 and 1960 GeV from CDF, and LHC $𝑝⁢𝑝$ measurements from CMS at $\sqrt{𝑠}$ =7 TeV, in addition to the STAR measurements. Both new tunes demonstrate significant improvements over the recommended default tune currently included in the latest version of H erwig for minimum bias production. As such, we advocate using these tunes for future simulation studies at midrapidity by experimental collaborations at RHIC (STAR and sPHENIX) and the LHC (ALICE, ATLAS, and CMS).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Sparse non-Markovian Noise Modeling of Transmon-Based Multi-Qubit Operations

The influence of noise on quantum dynamics is one of the main factors preventing current quantum processors from performing accurate quantum computations. Sufficient noise characterization and modeling can provide key insights into the effect of noise on quantum algorithms and inform the design of targeted error protection protocols. However, constructing effective noise models that are sparse in model parameters, yet predictive can be challenging. In this work, we present an approach for effective noise modeling of multi-qubit operations on transmon-based devices. Through a comprehensive characterization of seven devices offered by the IBM Quantum Platform, we show that the model can capture and predict a wide range of single- and two-qubit behaviors, including non-Markovian effects resulting from spatiotemporally correlated noise sources. The model’s predictive power is further highlighted through multi-qubit dynamical decoupling demonstrations and an implementation of the variational quantum eigensolver. As a training proxy for the hardware, we show that the model can predict expectation values within a relative error of 0.5%; this is a sevenfold improvement over default hardware noise models. Through these demonstrations, we highlight key error sources in superconducting qubits and illustrate the utility of reduced noise models for predicting hardware dynamics.

open quantum systems & decoherence↗

DOE OSTI2023

Realization of flat bands by lattice intercalation in kagome metals

Recently there has been intense interest in kagome metals, which are expected to host flat bands (FBs). However, the observed “FBs” are not flat over the whole two-dimensional Brillouin zone and overlap strongly with other bands. In fact, the FB does not truly exist in a default d-orbital kagome lattice, and the conditions for its existence in kagome metals are unknown. Here, based on tight-binding model analyses of the interplay between orbital and lattice symmetry, we establish such conditions. Additionally, we show that for a single d-orbital kagome lattice assuming large crystal field splitting (CFS), only the d z 2 orbital gives rise to a FB, while d xy , d x 2 -y 2 , d x⁢z , and d yz orbitals can only produce a FB with a rotated d-orbital basis so that they conform with the underlying kagome lattice symmetry. Most importantly, we demonstrate that both conditions of d-orbital rotation and large CFS can be ideally satisfied by intercalating the kagome lattice with a hexagonal sublattice without disrupting the destructive interference of FB wave function. Furthermore, we propose layered metalorganic frameworks as promising candidate kagome metals to realize FBs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗