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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A Simulation Framework for Analyzing the Impact of Stochastic Occupant Behaviors on Demand Flexibility in Typical Commercial Buildings

As one of the primary users of the electric grid, buildings and building equipment, including heating, ventilation, and air conditioning (HVAC) systems, can be leveraged to provide the flexible demand needed to balance the grid. Typical strategies to achieve demand flexibility are to reduce electricity use during peak or critical periods by shutting down equipment or relaxing system setpoints, which will inevitably impact the occupants’ comfort. When occupants feel uncomfortable, they may take actions to regain their comfort, and some of those actions (such as turning on a personal fan) may have a negative impact on meeting the demand response goal. Therefore, it is important to incorporate occupant behaviors into the assessment ofthe building demand flexibility potential. In this study, a simulation framework that includes simulation of zone thermal loads, an HVAC system, and occupant behaviors, was developed to investigate the impact of occupant behaviors on demand flexibility. A case study was conducted using a small office model from the U.S. Department of Energy (DOE) Commercial Prototype Building Models to simulate the building envelope and zone loads. An agent-based occupant thermal behavior model was adapted to forecast occupants’ thermal comfort and their resulting thermal behaviors. An artificial neural network (ANN) based airflow model trained from a computational fluid dynamics (CFD) model of the zone was adopted to better predict the ambient environment of each occupant. An air-source heat pump simulation model that was calibrated from a real two-stage air-source heat pump system was used as the HVAC system. A typical load shedding event during peak hours was studied. Repeated simulations were conducted to capture the stochastic effects of occupant behaviors. The interplay between the demand flexibility, occupant comfort and behavior were analyzed by evaluating key performance indicators, including the energy use, occupant discomfort duration, and occupant behavior duration during the peak period. The results suggest that this framework can be used to analyze typical commercial buildings and their HVAC systems in terms ofdemand flexibility potential under the impact of occupant behaviors.

Chen, Zhelun↗
DOE OSTI2023

Development of a hardware-in-the-loop testbed for laboratory performance verification of flexible building equipment in typical commercial buildings

The goals of reducing energy costs, shifting electricity peaks, increasing the use of renewable energy, and enhancing the stability of the electric grid can be met in part by fully exploiting the energy flexibility potential of buildings and building equipment. The development of strategies that exploit these flexibilities could be facilitated by publicly available high-resolution datasets illustrating how control of HVAC systems in commercial buildings can be used in different climate zones to shape the energy use profile of a building for grid needs. This article presents the development and integration of a Hardware-In-the-Loop Flexible load Testbed (HILFT) that integrates physical HVAC systems with a simulated building model and simulated occupants with the goal of generating datasets to verify load flexibility of typical commercial buildings. Compared to simulation-only experiments, the hardware-in-the-loop approach captures the dynamics of the physical systems while also allowing efficient testing of various boundary conditions. The HILFT integration in this article is achieved through the co-simulation among various software environments including LabVIEW, MATLAB, and EnergyPlus. Although theoretically viable, such integration has encountered many real-world challenges, such as: 1) how to design the overall data infrastructure to ensure effective, robust, and efficient integration; 2) how to avoid closed-loop hunting between simulated and emulated variables; 3) how to quantify system response times and minimize system delays; and 4) how to assess the overall integration quality. Lessons-learned using the examples of an AHU-VAV system, an air-source heat pump system, and a water-source heat pump system are presented.

Chen, zhelun↗
DOE OSTI2022

Effects of Vegetation on Fluxes of Nitric Oxide, Nitrogen Dioxide, and Nitrous Oxide in a Mixed Deciduous Forest Clearing

Atmosphere-terrestrial exchange of nitrogen oxides, such as nitric oxide (NO), nitrogen dioxide (NO2) and nitrous oxide (N2O), plays an important role in controlling atmospheric composition and the radiative forcing of Earth’s atmosphere. In this study, the impact of vegetation ground cover on NOx (NOx = NO + NO2) and N2O fluxes in a deciduous forest clearing was studied using dynamic flow chambers located on three experimental plots with differing vegetation ground cover. Microbial emissions of NO and N2O were observed throughout the measurement period, while NO2 was exclusively deposited. Vegetation had no observable impact on NO2 deposition. Under dry conditions, total measured nitrogen emissions were numerically similar across all plots, although the N2O:NO ratio was higher for plots containing plants. Vegetation elevates soil water content through enhanced water retention, a condition that favors denitrification and more N2O production, relative to NO. Two rain events induced pulses of NO and N2O that were higher for bare soil compared to the vegetated plots. Lower NO and N2O emissions in plant-containing chambers stemmed from enhanced root uptake of N following rewetting, which diminished the amount of N substrate available for microbial NO and N2O production. The sensitivity of soil N emissions to vegetation ground cover highlights the need for more studies that investigate this effect over a wide range of ecosystems and to include vegetation effects in future parameterizations of soil NOx and N2O used in atmospheric models. This dataset includes processed data collected from 4 dynamic flux chambers and 17 sensors. Data includes ambient gas measurements made 1 m from the surface and soil flux measurements of NO, NO2, N2O, ozone (O3) and carbon dioxide (CO2). Also included is a suite of meteorological (air temperature, humidity, pressure) and soil parameters (water filled pore space, soil temperature). Refer to the readme for more information about each of the data sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Evaluation of methods for characterizing the fine particulate matter emissions from aircraft and other diffusion flame combustion aerosol sources

The U. S. Environmental Protection Agency in collaboration with the U. S. Air Force Arnold Engineering Development Complex conducted the VAriable Response In Aircraft nvPM Testing (VARIAnT) 3 and 4 test campaigns to compare nvPM emissions measurements from a variety of diffusion flame combustion aerosol sources (DFCASs), including a Cummins diesel engine, a diesel powered generator, two gas turbine start carts, a J85-GE-5 turbojet engine burning multiple fuels, and a Mini-CAST soot generator. The VARIAnT research program has conducted four test campaigns to date with the VARIAnT 3 and 4 test campaigns focusing on BC mass instrument performance, use of gas turbine engine sources for BC mass instrument calibration, and the characterization of the aerosols produced from the combustion sources. Results from both campaigns revealed agreement of about 20% between the AVL Micro-Soot Sensor, the Cavity Attenuated Phase Shift (CAPS PMSSA) monitor and the thermal-optical reference method for elemental carbon (EC), independent of the calibration source used. For the Artium LII-300, the measured mass concentrations in VARIAnT3 fall within 18% and in VARIAnT4 fall within 32% of the reference EC mass concentration when calibrated on a combustor rig in VARIAnT3 and on a LGT-60 start cart in VARIAnT4, respectively. It was also found that the three mass instrument types (MSS, CAPS PMSSA, and LII-300) can exhibit different BC to reference EC ratios depending on the emission source that appear to correlate to particle geometric mean mobility diameter, morphology, or some other parameter associated with particle geometric mean diameter (GMD) with the LII-300 showing a slightly stronger apparent trend with GMD. Systematic differences in LII-300 measured mass concentrations have been reduced by calibrating with a turbine combustion source (combustor or turbine engine). With respect to the particle size measurements made, the sizing instruments (TSI SMPS, TSI EEPS, and Cambustion DMS 500) were found to be in general agreement in terms of size distributions and concentrations with some exceptions. Teflon filter measurements of the total aerosol mass produced by the various DFCASs differed from the reference EC, BC, and integrated particle sized distribution measured aerosol masses. The Teflon filter measured mass was 30 to 40% greater than the reference EC and 50 to 60% greater than the BC mass for the J85 in both test campaigns. The measurements of particle size distributions and single particle analysis by miniSPLAT indicated the presence of large particles (>100 nm) having more compact morphologies, higher effective density, and a composition dominated by OC and ash. This increased large particle fraction is also associated with higher values of single scattering albedo measured by the CAPS PMSSA instrument and higher OC/EC measurements. These measurements indicate gas turbine engine emissions can be a more heterogeneous mix of particle types beyond the original E31 assumption that it is mainly composed of black carbon.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Hawai‘i Supernova Flows: a peculiar velocity survey using over a Thousand Supernovae in the near-infrared

ABSTRACT We introduce the Hawai‘i Supernova Flows project and present summary statistics of the first 1217 astronomical transients observed, 668 of which are spectroscopically classified Type Ia Supernovae (SNe Ia). Our project is designed to obtain systematics-limited distances to SNe Ia while consuming minimal dedicated observational resources. To date, we have performed almost 5000 near-infrared (NIR) observations of astronomical transients and have obtained spectra for over 200 host galaxies lacking published spectroscopic redshifts. In this survey paper, we describe the methodology used to select targets, collect/reduce data, calculate distances, and perform quality cuts. We compare our methods to those used in similar studies, finding general agreement or mild improvement. Our summary statistics include various parametrizations of dispersion in the Hubble diagrams produced using fits to several commonly used SN Ia models. We find the lowest dispersions using the SNooPy package’s EBV_model2, with a root mean square deviation of 0.165 mag and a normalized median absolute deviation of 0.123 mag. The full utility of the Hawai‘i Supernova Flows data set far exceeds the analyses presented in this paper. Our photometry will provide a valuable test bed for models of SN Ia incorporating NIR data. Differential cosmological studies comparing optical samples and combined optical and NIR samples will have increased leverage for constraining chromatic effects like dust extinction. We invite the community to explore our data by making the light curves, fits, and host galaxy redshifts publicly accessible.

Do, Aaron (ORCID:0000000334297845)↗
DOE OSTI2026

Correlated purification for restoring 𝑁-representability in quantum simulation

Experimentally measured reduced density matrices (RDMs) often violate constraints that ensure they represent N-electron states—known as N-representability conditions—because of statistical and hardware noise. In this work, we present a correlated purification framework based on semidefinite programming to restore the accuracy of a noisy, unphysical two-electron RDM (2-RDM). The method performs a bi-objective optimization that minimizes both the many-electron energy and the nuclear norm of the correction to the measured 2-RDM. The nuclear norm, often employed in matrix completion, promotes low-rank corrections, while the energy term acts as a regularization term that can improve the purity of the ground state. While the method is particularly effective for ground states, it can also be applied to excited and nonstationary states by decreasing the weight of the energy relative to the error norm. In an application to fermionic shadow tomography of large hydrogen chains, correlated purification yields substantial reductions in both energy and 2-RDM error, achieving chemical accuracy across dissociation curves. This framework provides a robust strategy for tomography in many-body quantum simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

The Rapid X-Ray and UV Evolution of ASASSN-14ko

Abstract ASASSN-14ko is a recently discovered periodically flaring transient at the center of the active galactic nucleus (AGN) ESO 253−G003 with a slowly decreasing period. Here, we show that the flares originate from the northern, brighter nucleus in this dual-AGN, post-merger system. The light curves for the two flares that occurred in 2020 May and September are nearly identical over all wavelengths. For both events, Swift observations showed that the UV and optical wavelengths brightened in unison. The effective temperature of the UV/optical emission rises and falls with the increase and subsequent decline in the luminosity. The X-ray flux, by contrast, first rapidly drops over ∼2.6 days, rises for ∼5.8 days, drops again over ∼4.3 days, and then recovers. The X-ray spectral evolution of the two flares differ, however. During the 2020 May peak the spectrum softened with increases in the X-ray luminosity, while we observed the reverse for the 2020 September peak. We found a small change in the period derivative, which seems to indicate that the system does not have a static period derivative and there is some stochasticity in its evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

ALTRIOS - Advanced Locomotive Technology and Rail Infrastructure Optimization System

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool to evaluate strategies for deploying advanced locomotive technologies and associated infrastructure for cost-effective decarbonization. ALTRIOS simulates energy conversion and storage dynamics, locomotive and train dynamics, meet-pass planning (detailed train timetabling), and freight-demand-driven train scheduling in a Pareto optimization. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward tradeoffs of different technology rollout strategies. An open, integrated simulation tool will be invaluable for identifying future research needs and making decisions on technology development, routes, and train selection. ALTRIOS development is a collaboration between NREL, the University of Illinois Urbana-Champaign (UIUC) RailTEC, Southwest Research Institute (SwRI), and BNSF.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗
DOE OSTI2020

Discovery and follow-up of ASASSN-19dj: an X-ray and UV luminous TDE in an extreme post-starburst galaxy

Here, we present observations of ASASSN-19dj, a nearby tidal disruption event (TDE) discovered in the post-starburst galaxy KUG 0810+227 by the All-Sky Automated Survey for Supernovae (ASAS-SN) at a distance of d ≃ 98 Mpc. We observed ASASSN-19dj from -21 to 392 d relative to peak ultraviolet (UV)/optical emission using high-cadence, multiwavelength spectroscopy and photometry. From the ASAS-SN g-band data, we determine that the TDE began to brighten on 2019 February 6.8 and for the first 16 d the rise was consistent with a flux ∝t 2 power law. ASASSN-19dj peaked in the UV/optical on 2019 March 6.5 (MJD = 58548.5) at a bolometric luminosity of L = (6.2 ± 0.2) × 10 44 erg s -1 . Initially remaining roughly constant in X-rays and slowly fading in the UV/optical, the X-ray flux increased by over an order of magnitude ~225 d after peak, resulting from the expansion of the X-ray emitting region. The late-time X-ray emission is well fitted by a blackbody with an effective radius of ~1 × 10 12 cm and a temperature of ~6 × 10 5 K. The X-ray hardness ratio becomes softer after brightening and then returns to a harder state as the X-rays fade. Analysis of Catalina Real-Time Transient Survey images reveals a nuclear outburst roughly 14.5 yr earlier with a smooth decline and a luminosity of L V ≥ 1.4 × 10 43 erg s -1 , although the nature of the flare is unknown. ASASSN-19dj occurred in the most extreme post-starburst galaxy yet to host a TDE, with Lick Hδ A = 7.67 ± 0.17 Å.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

The open-source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic properties of chemical species, high-pressure limit reaction rate coefficients, and pressure-dependent rate coefficient over multi-well molecular potential energy surfaces (PES) including the effects of collisional energy transfer on phenomenological kinetics. Arkane can use estimates to fill in information for molecules or reactions where quantum chemistry information is missing. The software solves the internal energy master equation for complex unimolecular reaction systems. Inputs to the software include converged electronic structure computations performed by the user using a variety of supported software packages (Gaussian, Molpro, Orca, TeraChem, Q-Chem, Psi4). The software outputs high-pressure limit rate coefficients and pressure-dependent phenomenological rate coefficients, as well as computed thermodynamic properties (enthalpy, entropy, and constant pressure heat capacity) with added energy corrections. Some of the key features of Arkane include treatment of 1D, 2D or ND hindered internal rotation modes, treatment of free internal rotation modes, quantum tunneling effect consideration, transition state theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) rate coefficient computations, master equation solution with four implemented methods, inverse-Laplace transform of high-pressure limit rate coefficients into the energy domain, energy corrections based on bond-additivity or isodesmic reactions, automated and efficient PES exploration, and PES sensitivity analysis. The present work describes the design of Arkane, how it should be used, and refers to the theory that it employs. Arkane is distributed via the RMG-Py software suite (https://github.com/ReactionMechanismGenerator/RMG-Py).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

ALTRIOS (Advanced Locomotive Technology and Rail Infrastructure Optimization System) [SWR-22-54]

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool to evaluate strategies for deploying advanced locomotive technologies and associated infrastructure for cost-effective decarbonization. ALTRIOS simulates freight-demand driven train scheduling, mainline meet-pass planning, locomotive dynamics, train dynamics, energy conversion efficiencies, and energy storage dynamics of line-haul train operations. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward tradeoffs of different technology rollout strategies. An open, integrated simulation tool is invaluable for identifying future research needs and making decisions on technology development, routes, and train selection. ALTRIOS was developed as part of a collaborative effort by a team comprising the National Renewable Energy Laboratory (NREL), University of Illinois Urbana-Champaign (UIUC), Southwest Research Institute (SwRI), and BNSF Railway. Python Package: https://pypi.org/project/altrios/ Rust Crate: https://crates.io/crates/altrios-core

Baker, Chad↗
DOE OSTI2020

Observations regarding inclusions in the growth of $\mathrm{Cs}$ 2 $\mathrm{HfCl}$ 6 single crystal scintillators

Cs 2 HfCl 6 (CHC) is a promising high density, high-Z, non-hygroscopic, and high energy resolution scintillator. In CHC, many crystals have CsCl inclusions that form during growth. In this paper, we investigate how material synthesis, growth rate, and thermal gradient affect the formation of CsCl inclusions and their effect on scintillation performance. First, precursor material was made through a methanol synthesis process both with and without hydrochlorination. Next, five crystals were grown using Bridgman method, at growth rates of 1 or 0.5 mm/h, and thermal gradients of 21 °C or 34 °C per millimeter. The best overall performance was observed in a 22 mm diameter crystal produced using hydrochlorination which was grown at 1 mm/h in a thermal gradient of 34 °C per millimeter. It had a light yield of 36,000 photons/MeV and an energy resolution of 4.0% at 662 keV. Finally, we have also shown that poorer scintillation performance in the lower quality crystals is most likely due to reduced light collection caused by a higher concentration of inclusions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Harvest and nitrogen effects on bioenergy feedstock quality of grass-legume mixtures on Conservation Reserve Program grasslands

Perennial grass mixtures established on Conservation Reserve Program (CRP) lands can be an important source of feedstock for bioenergy production. This study aimed to evaluate management practices for optimizing the quality of bioenergy feedstock and stand persistence of grass-legume mixtures under diverse environments. A 5-year field study (2008–2012) was conducted to assess the effects of two harvest timings (at anthesis vs after complete senescence) and three nitrogen (N) rates (0, 56, 112 kg N ha -1 ) on biomass chemical compositions (i.e., cell wall components, ash, volatiles, total carbon, and N contents) and the feedstock energy potential, examined by the theoretical ethanol yield (TEY) and the total TEY (i.e., the product of biomass yield and TEY, L ha -1 ), of cool-season mixtures in Georgia and Missouri and a warm-season mixture in Kansas. The canonical correlation analysis (CCA) was used to investigate the effect of vegetative species transitions on feedstock quality. Although environmental variations (mainly precipitation) greatly influenced the management effect on chemical compositions, the delayed harvest after senescence generally improved feedstock quality. In particular, the overall cell wall concentrations and TEY of the warm-season mixtures increased by approximately 7%. Additional N supplies improved the total TEY of both mixtures by ~1.6–4.2 L ha -1 per 1.0 kg N ha -1 input but likely lowered the feedstock quality, particularly for the cool-season mixture. The cell wall concentrations of cool-season mixture reduced by approximately 3%–6%. The CCA results indicated that the increased legume compositions (under low N input) likely enhanced lignin but reduced ash concentrations. This field research demonstrated that with proper management, grass-legume mixtures on CRP lands can provide high-quality feedstock for bioenergy productions.

09 BIOMASS FUELS↗
DOE OSTI2022

The Policy Mullet: Good Intentions in the Front, Bad Policy in the Back

To achieve important policy goals like decarbonization, energy efficiency, and social justice, it is important to translate high-level policy into operational practice. Establishing sustainable purchasing goals has been one important part of this translation. However, not all sustainable purchasing policies are equally effective for organizations. In this study, we analyze sustainable purchasing policies collected from 30 public-sector organizations. We discuss a theoretical framework of optimal policy language and use that framework to evaluate the policies we collected. We believe that an ideal sustainable purchasing policy can increase the likelihood of implementation success by providing more product-specific guidance, giving authority to procurement staff, setting performance targets, and requiring reporting to account for progress. In our review of public sector sustainable purchasing policies, we found that policy language is less than ideal when measured against the framework. Based on our findings, we highlight the best practice language organizations can use in their sustainable purchasing policies to meet sustainability goals. While there is more work needed to inform best practices with sustainable purchasing policies, we recommend that organizations utilize existing frameworks when developing a sustainable purchasing policy to encourage better implementation.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Scrambling Signal Modularity in Bottom-up Assembled Synthetic Pseudomonas Consortia Reveals Robust Information Transfer

There is immense potential in crafting synthetic microbial communities for application in human health, agriculture, the environment, and even biomanufacturing where an appropriately constructed consortium can be assembled with tremendous biosynthetic or degradative capabilities. In many of these cases, bacterial signaling serves as a form of intercellular information transfer that guides the collective’s behavior. Such communication is complex, as many signals, signal disruptors, microbial species, physical barriers, and spatiotemporal constraints may be involved. Here, in this work, we demonstrate that a multisignal pathway for molecular information transfer within a consortium of several Pseudomonas spp. can be scrambled (genetically and organizationally) while the original message is still effectively conveyed. Assembled from the bottom up, we have employed two types of signaling molecules (i) a redox active secondary metabolite (rhizospheric signal, phloroglucinol), and (ii) a bacterial quorum sensing signal (3-oxo-C12 acylhomoserine lactone, AI-1). These signals can be intraconverted and acted upon by designated community members. We show how the order in which the signals are received, transduced, and subsequently transmitted can be rearranged with minimal impact on the intended outcome. In the consortial context, we found this messaging structure can be remarkably robust. Inspired by rhizospheric molecular signaling mechanisms, this work provides a conceptual framework for designing signaling and information transfer processes within assembled communities.

Biological and medical sciences↗
DOE OSTI2020

New red phosphor ceramic K 2 SiF 6 :Mn 4+

We report a new transparent ceramic phosphor for use in LED lighting has been fabricated. The previously reported and optimized narrow-emitting red phosphor, K 2 SiF 6 :Mn 4+ (KSF), has been consolidated into a transparent ceramic phosphor for the first time, accomplished via hot-pressing the feedstock phosphor powder in a die under vacuum. KSF ceramics were fabricated with varying doping concentrations of Mn 4+ and their properties studied. The absorption and emission spectra of the ceramics were identical to the feedstock phosphor powders and are ideal for LED lighting with strong absorption at 450 nm and narrow emission around 630 nm. The absorbance of the ceramics was directly proportional to the doping concentration. The ceramics were excited at various blue light fluxes and their emission intensities measured to study the effect of Mn 4+ concentration on intensity-driven “droop” in the emission output. The ceramics with a lower Mn 4+ doping were more efficient under higher light fluxes due to a decrease in Auger upconversion losses. KSF ceramics can allow a much longer path length of the diode light through the phosphor, as compared to phosphor-in-silicone, enabling the use of low optical absorption and the associated reduced activator concentration. The ceramics are measured to have a thermal conductivity of ~1.0 W/m-K, higher than that of phosphor-in-silicone or phosphor-in-glass. Several of these properties make KSF ceramics potentially desirable for use in white light LEDs. Greater thermal conductivity helps with heat dissipation, the lower surface area of the ceramic compared to the powder minimizes the environmental vulnerability of KSF, and the ability to lower the Mn 4+ concentration reduces Auger recombination losses and mitigates the temperature rise, particularly at higher light flux.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ab initio benchmarks of neutrinoless double- β decay in light nuclei with a chiral Hamiltonian

Here, we report ab initio benchmark calculations of nuclear matrix elements (NMEs) for neutrinoless double-β (0νββ) decays in light nuclei with mass numbers ranging from A = 6 to A = 22. We use the transition operator derived from light-Majorana neutrino exchange and evaluate the NME with three different methods: two variants of in-medium similarity renormalization group (IMSRG) and importance-truncated no-core shell model (IT-NCSM). The same two plus three nucleon interaction from chiral effective field theory is employed, and both isospin-conserving (ΔT = 0) and isospin-changing (ΔT = 2) transitions are studied. We compare our resulting ground-state energies and NMEs to those of recent ab initio no-core shell model and coupled-cluster calculations, also with the same inputs. We show that the NMEs of ΔT = 0 transitions are in good agreement among all calculations, at the level of 10%. For ΔT = 2, relative deviations are more significant in some nuclei. The comparison with the exact IT-NCSM result allows us to analyze these cases in detail, and indicates the next steps toward improving the IMSRG-based approaches. The present study clearly demonstrates the power of consistent cross checks that are made possible by ab initio methodology. This capability is crucial for providing meaningful many-body uncertainties in the NMEs for the 0νββ decays in heavier candidate nuclei, where quasiexact benchmarks are not available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Final Report for ARPA-E LOCOMOTIVES Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) Project

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool used to evaluate strategies for cost-effectively deploying advanced locomotive technologies and associated infrastructure. ALTRIOS simulates freight-demand-driven train scheduling, mainline meet-pass planning, locomotive dynamics, train dynamics, energy conversion efficiencies, and energy storage dynamics of line-haul train operations. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward trade-offs and operation integration of different technology rollout strategies. An open, integrated simulation tool is valuable for identifying future research needs and making decisions on technology development, routes, and train selection. This final report details the ALTRIOS software architecture, major modules and components, and data validation process. It demonstrates the software's utility through a 30-year rollout case study targeting high penetration of advanced powertrain technologies by 2050 for two BNSF Railway routes: loaded taconite ore trains from Hibbing, Minnesota, to Superior, Wisconsin, and mixed-freight trains from Superior to Minneapolis, Minnesota.

33 ADVANCED PROPULSION SYSTEMS↗