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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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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Influence of Phase-Change Materials and Operating Periods on Load Shifting for Thermal Storage Heat Pumps in European Climate Zones

As the reliance on heat pumps (HPs) for space conditioning increases worldwide, ex-tensive grid strains during utility peak hours are expected. Significant research efforts focus on investigating the use of integrated thermal energy storage (TES) systems to reduce peak energy demands. Conventionally, TES systems are often integrated to store and provide either cooling or heating, but not both. In this work, a single room-temperature phase-change material (PCM)-TES was integrated for dual-mode opera-tion with an R290 air-to-water 10.5 kW (3-Ton) HP. Two PCM melting temperatures (17°C, 22°C) were assessed to investigate their impact on system performance and cost reductions for Milan, Italy (4A); Barcelona, Spain (3A); and Oslo, Norway (6A). HP and HP-TES performance maps were generated using Modelica-based transient models and co-simulated with a prototype residential building using the Spawn of En-ergyPlusTM with simple rule-based controls. Our simulations indicate that PCM-17°C provided annual cost savings at higher peak-to-off-peak cost ratios, as the demand re-duction dominated the savings potential. The recharge energy costs and requirements became more dominant at lower cost ratios, making PCM-22°C more beneficial at lower cost ratios. Finally, despite Oslo's heating-dominated climate, the utility peak hours favor cooling demand reductions, making PCM-17°C more appealing. In all cases, the cost savings potential stabilized between 4 – 10% regardless of cost ratio, suggesting that system-level component and operation control optimization is required to maximize cost savings further.

25 ENERGY STORAGE↗
DOE OSTI2025

SIDDA: SInkhorn Dynamic Domain Adaptation for image classification with equivariant neural networks

Modern neural networks (NNs) often do not generalize well in the presence of a ‘covariate shift’; that is, in situations where the training and test data distributions differ, but the conditional distribution of classification labels given the data remains unchanged. In such cases, NN generalization can be reduced to a problem of learning more robust, domain-invariant features. Domain adaptation (DA) methods include a broad range of techniques aimed at achieving this; however, these methods have struggled with the need for extensive hyperparameter tuning, which then incurs significant computational costs. In this work, we introduce SInkhorn Dynamic Domain Adaptation (SIDDA), an out-of-the-box DA training algorithm built upon the Sinkhorn divergence, that can achieve effective domain alignment with minimal hyperparameter tuning and computational overhead. We demonstrate the efficacy of our method on multiple simulated and real datasets of varying complexity, including simple shapes, handwritten digits, real astronomical observations, and remote sensing data. These datasets exhibit covariate shifts due to noise, blurring, differences between telescopes, and variations in imaging wavelengths. SIDDA is compatible with a variety of NN architectures, and it works particularly well in improving classification accuracy and model calibration when paired with symmetry-aware equivariant NNs (ENNs). We find that SIDDA consistently enhances the generalization capabilities of NNs, achieving up to a ${\approx}40\%$ improvement in classification accuracy on unlabeled target data, while also providing a more modest performance gain of $\lesssim 1\%$ on labeled source data. We also study the efficacy of DA on ENNs with respect to the varying group orders of the dihedral group DN, and find that the model performance improves as the degree of equivariance increases. Finally, if SIDDA achieves proper domain alignment, it also enhances model calibration on both source and target data, with the most significant gains in the unlabeled target domain—achieving over an order of magnitude improvement in the expected calibration error and Brier score. SIDDA’s versatility across various NN models and datasets, combined with its automated approach to domain alignment, has the potential to significantly advance multi-dataset studies by enabling the development of highly generalizable models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Influence of African Easterly Wave Suppression on Atlantic Tropical Cyclone Activity in a Convection-Permitting Model

African easterly waves (AEWs) are strongly linked to Atlantic tropical cyclones (TCs) on the synoptic timescale by serving as seedling disturbances for TC genesis. However, it is unclear whether climatological TC frequency is limited by AEWs. We investigated the impact of suppressing AEWs using a 3-member ensemble of convection-permitting regional model simulations, in which AEWs were either retained or removed through the lateral boundary conditions. Suppressing AEWs did not substantially change seasonal TC number, but did influence TC intensity, genesis time and location. Suppressing AEWs produced stronger TCs, shifted peak TC genesis from September to August, and reduced (increased) TC genesis in the eastern Atlantic (Gulf of Mexico). Without AEWs, TCs generated under more favorable large-scale atmospheric conditions. Furthermore, these results indicate that AEWs may not be reliable predictors of basin-wide seasonal TC frequency. However, simulations provide evidence that AEWs could influence the large-scale environment that is important for TCs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Reactor cell neutron dose for the molten salt breeder reactor conceptual design

The private sector’s interest in the active development of molten salt reactors has led to the need to develop and test advanced modeling and simulation tools to analyze various advanced reactor types under numerous conditions. This paper discusses the effort undertaken to model the Oak Ridge National Laboratory (ORNL) Molten Salt Breeder Reactor (MSBR) design using ORNL’s Shift Monte Carlo code. The MSBR model integrates a Monte Carlo N-Particle (MCNP) MSBR core model with an MCNP model that was generated from a CAD model of the external components and the reactor building, which was subsequently run in Shift. This paper focuses on development of the fully integrated model and its use in performing neutron transport calculations in the reactor cell area. This model is intended to aid in understanding radiological dose conditions during operation, as well as the iron dpa rates in the reactor vessel. The neutron biological dose rates and flux calculated in the reactor cell are much higher in the MSBR than in typical light-water reactors. The implications of these results and future work are also discussed in this paper.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Electromagnetic Response of Superconducting RF Cavities

Recently reported anomalies in frequency shift of order δƒ ~ 0.1–10 kHz for Niobium SRF cavities in a narrow temperature region near T c ≃ 9 K are sensitive to the surface preparation and Nitrogen doping. We developed methods for calculating the surface current response of Nb SRF cavities, as well as the resonant frequency shift and quality factor, as functions of temperature, frequency and disorder based on the Keldysh formulation of the theory for nonequilibrium superconductivity coupled with Maxwell’s theory and boundary conditions for the response functions and electromagnetic field. We show that the anomaly is sensitive to impurity disorder. Our results for the anomaly in the frequency shift are in good agreement with experimental results for Nb with an anisotropic gap on the Fermi surface and inhomogeneous non-magnetic disorder. We also show that the quality factor as a function of the impurity scattering rate is maximum for in SRF cavities with intermediate disorder, ℏ/τΔ~O(1) with the maximum $Q$ decreasing with increasing frequency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Lake development and vegetation history in coastal Primor'ye: implications for Holocene climate of the southeastern Russian Far East

Latvia Lake provides one of the few high-resolution palaeoenvironmental records from southeastern Primor'ye. It traces basin, vegetation and climate histories over the past c. 8.6 ka. The Latvia basin experienced four phases, two of which involved frequent shifts amongst lake, lagoon and bay settings (c. 8.6–7.0 cal. ka BP and c. 2.1 cal. ka BP–present). A sandbar was present between c. 7.0 and 6.9 cal. ka BP. The longest interval of Latvia basin stability was from c. 6.9–2.1 cal. ka BP when the basin was a lagoon of varying salinities. Quercus-broadleaf forests characterized the regional vegetation throughout the past c. 8.6 ka. Variations in thermophilous species (e.g. Juglans,Carpinus,Ulmus,Tilia,Syringa) and Pinus koraiensis reflect shifts in temperature and moisture during the Middle Holocene. A period of warmest climate occurred c. 8.6–5.1 cal. ka BP with wettest conditions from c. 7.5–4.3 cal. ka BP, although all changes in temperature and precipitation were gradual. The Latvia Lake results indicate that changes in Middle to Late Holocene climates were linked more closely to shifts in the East Asian Summer Monsoon and less so to sea level oscillations. Here, this investigation demonstrates that lakes of coastal Primor'ye can provide reliable palaeovegetation and palaeoclimate records despite their changing depositional environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A Single-Stage Isolated Resonant SiC DC/AC Inverter for Efficient High-Power Applications

This paper presents a single-stage series-resonant dual active half bridge (SR-DAHB) inverter suitable for high power applications. The topology is an isolated dual half-bridge circuit with an unfolding bridge. A combined phase-shift and frequency modulation technique is utilized to generate AC power output. In high-power applications where the switching devices operate at relatively high current and voltage, the switching loss becomes the major portion of the converter’s total loss as the devices are turned on and off under hard switching condition. The primary merit of the proposed single-stage SR-DAHB inverter with the combined phase-shift and frequency modulation control is to significantly reduce the switching loss so that it is not a function of load current. A precise and comprehensive power loss model is developed for both the SR-DAHB and DAHB to optimize the operation of the inverters. The objective of the optimization is to minimize the inverter total loss while calculating the optimum combination of frequency and phase shift. A 1.5 kV, 50 kW prototype was built to demonstrate the performance of the SRDAHB versus DAHB inverters with the combined phase-shift and frequency modulation control, and validate the theoretical analysis.

Tayebi, S. Milad↗
DOE OSTI2025

Finite- and infinite-volume study of DDπ scattering

We develop a comprehensive framework for extracting the pole position and properties of the doubly-charmed tetraquark $T$$^{+}_{cc}$(3875) from lattice QCD data using the relativistic three-particle formalism. This approach incorporates the effect of the one-pion exchange diagram in DDπ and DD ∗ scattering, making it applicable at energies coinciding with the left-hand cut in the partial-wave projected DD ∗ amplitude. We present an example application of this framework to existing lattice QCD data at mπ = 280 MeV. We solve the integral equations describing the DDπ reaction, use LSZ reduction to determine the corresponding DD ∗ amplitude, and find the values of the infinite-volume two- and three-body K matrices that lead to agreement with lattice DD ∗ phase shifts within their uncertainties. Using these K matrices in the three-particle quantization condition, we describe the finite- volume DD ∗ spectrum and find good agreement with the lattice QCD energies. Our results suggest that, at this pion mass, the tetraquark appears as a pair of subthreshold complex poles whose precise location strongly depends on the value of the DDπ three-particle K matrix.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Abiotic selection of microbial genome size in the global ocean

Abstract Strong purifying selection is considered a major evolutionary force behind small microbial genomes in the resource-poor photic ocean. However, very little is currently known about how the size of prokaryotic genomes evolves in the global ocean and whether patterns reflect shifts in resource availability in the epipelagic and relatively stable deep-sea environmental conditions. Using 364 marine microbial metagenomes, we investigate how the average genome size of uncultured planktonic prokaryotes varies across the tropical and polar oceans to the hadal realm. We find that genome size is highest in the perennially cold polar ocean, reflecting elongation of coding genes and gene dosage effects due to duplications in the interior ocean microbiome. Moreover, the rate of change in genome size due to temperature is 16-fold higher than with depth up to 200 m. Our results demonstrate how environmental factors can influence marine microbial genome size selection and ecological strategies of the microbiome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An atomic cluster expansion potential for twisted multilayer graphene

Twisted multilayer graphene, characterized by its moiré patterns arising from inter-layer rotational misalignment, serves as a rich platform for exploring quantum phenomena. Machine learning interatomic potentials (MLIPs) are a promising approach to model such systems. Our work develops a method to generate training and test datasets for fitting MLIPs that capture all possible misalignments but remain small-scale to facilitate efficient data generation and parameter estimation. To achieve this, we generate configurations with periodic boundary conditions suitable for density functional theory calculations, and then introduce an internal twist and shift within those supercell structures. Using this technique, supplemented with an active learning workflow, we fit an Atomic Cluster Expansion potential for simulating twisted multilayer graphene and test it for accuracy and robustness on a range of simulation tasks.

2D materials↗
DOE OSTI2024

Field-Emission Properties of Vertically Aligned Carbon Nanotube Cathodes of Varying Geometries

This work characterizes the bulk emission properties of carbon nanotube (CNT) forest cathodes fabricated with various geometries. Geometries explored include dense nanotube forests of varying height grown on 5×5 mm silicon (Si) substrates and discrete, patterned CNT pillars fabricated using UV photolithography. Dense forests heights ranged from 526 μ m to 1.41 mm, with packing fraction for dense forest calculated to be 4e10 nanotubes/cm2 based on an average nanotube separation distance of 100 nm for fixed growth dense forests. Patterned sample micro pillar heights ranged from 47 to 393 μ m with pillar widths on tested samples ranging from 250 to 270 μ m . Properties explored include emission current, turn-on field, and emission current performance over time. A parallel plate electron beam diode with a 100- μ m A-K gap and an automated test apparatus were developed to provide a configurable experiment that provides accurate and repeatable measurements for dc, dc sweep, and timed performance testing. Operating voltages for the voltage sweeps spanned from 0 to −350 V. Furthermore, testing has shown evidence of a hysteresis effect on the emission current tied to the applied field history as well as shifting of the turn-on field magnitude throughout the testing period, suggesting a conditioning effect during use. Three separate emission regions in the I–V curves during sweep testing have also been observed. In the geometric study, dense forests and patterned samples were sweep tested up to a peak applied voltage of −250 V, with the taller samples generally performing better. Currents produced in the geometric study from the dense forest emitters ranged from 36.8 to 572.34 μ A , with current densities ranging from 15 to 2.29 mA/cm2. Currents produced from the patterned micropillar emitters ranged from 39.4 to 317.51 μ A , with current densities ranging from 67 to 3 mA/cm2. DC time testing s...

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compare low-gain 1D and 3D models toward a storage ring-based X-ray free-electron-laser oscillator

Fourth-generation diffraction-limited synchrotron light sources (DL-SLS) present a compelling platform for advanced light source applications due to their ultra-low emittance (around tens of picometers), sub-micrometer beam stability, and high repetition rates (greater than 1 MHz). Despite these advantages, fundamental limitations, such as long bunch durations (tens of picoseconds), large relative energy spread (~10⁻³), and low peak current (<300 A), have hindered their effectiveness in free-electron laser (FEL) applications. Using a low-gain three-dimensional (3D) model based on NSLS-II upgrade lattice parameters, we demonstrate that a 6% single-pass gain is achievable with an optimized transverse gradient undulator (TGU). Concurrently, recent advances in X-ray optics—specifically, a four-mirror bow-tie resonator utilizing diamond mirrors and beryllium compound refractive lenses (CRLs)—enable total round-trip losses below 4% and an output coupling efficiency near 1%, rendering a Storage Ring based X-ray FEL oscillator (XFELO) a realistic possibility. In the 3D framework, the TGU effectively mitigates the detrimental effects of large energy spread by spatially dispersing the beam, leading to enhanced gain relative to conventional one-dimensional (1D) models. We establish both analytical and numerical connections between the 1D and 3D descriptions, leveraging GENESIS simulations to map equivalent gain conditions. While 1D resonance is defined in the energy domain, the 3D TGU system shifts the resonance dependence to transverse gradient and dispersion parameters. Once optimized, this framework allows predictive modeling using 1D formulas, which can then be validated through full 3D simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Effect of Fe on Co-Based SiO2Al2O3 Mixed Support Catalyst for Fischer–Tropsch Synthesis in 3D-Printed SS Microchannel Microreactor

This research explores the effect of a composite support of SiO2 and Al2O3 with Fe and Co incorporated as catalysts for Fischer–Tropsch synthesis (FTS) using a 3D-printed stainless steel (SS) microchannel microreactor. Two mesoporous catalysts, FeCo/SiO2Al2O3 and Co/SiO2Al2O3, were synthesized via a one-pot (OP) method and extensively characterized using N2 physisorption, XRD, SEM, TEM, H2-TPR, TGA-DSC, FTIR, and XPS. H2-TPR results revealed that the synthesis method significantly affected the reducibility of metal oxides, thereby influencing the formation of active FTS sites. SEM-EDS and TEM further revealed a well-defined hexagonal matrix with a porous surface morphology and uniform metal ion distribution. FTS reactions, carried out in the 200–350 °C temperature range at 20 bar with a H2/CO molar ratio of 2:1, exhibited the highest activity for FeCo/SiO2Al2O3, with up to 80% CO conversion. Long-term stability was evaluated by monitoring the catalyst performance for 30 h on stream at 320 °C under identical reaction conditions. The catalyst was initially active for the methanation reaction for up to 15 h, after which the selectivity for CH4 declined. Correspondingly, the C4+ selectivity increased after 15 h of time-on-stream, indicating a shift in the product distribution toward longer-chain hydrocarbons. This trend suggests that the catalyst undergoes gradual activation or restructuring under reaction conditions, which enhances chain growth over time. The increase in C4+ products may be attributed to the stabilization of the active sites and suppression of methane or light hydrocarbon formation.

Biochemistry & Molecular Biology↗
DOE OSTI2023

Drought conditioning of rhizosphere microbiome influences maize water use traits

Background and Aims: Beneficial plant–microbe interactions can improve plant performance under drought; however, we know less about how drought-induced shifts in microbial communities affect plant traits. Methods: We cultivated Zea mays in fritted clay with soil microbiomes originating from contrasting environments (agriculture or forest) under two irrigation treatments (well-watered or water limited). Using this design, we investigated whether water conditioning was carried forward through the microbiome to affect a subsequent plant cohort that was subjected to either a well-watered or water limited treatment. Results: Regardless of the microbiome-origin, plants inoculated with a microbiome from a water limited legacy had traits that allowed them to avoid stress but conserve water. They produced longer roots to explore soil, generated greater soil dissolved organic carbon, potentially stimulating the microbiome, and slower soil water content loss during drought. A well-watered legacy resulted in plants that delayed permanent stomatal closure and higher photosynthetic nitrogen use efficiency. In plants with a forest-originated microbiome, a well-watered legacy and water treatment also resulted in higher rates of photosynthesis and stomatal conductance. Conclusion: These results demonstrate that soil microbiomes can be developed to influence plant drought performance, impacting crop resilience, using short-term microbial conditioning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Raman scattering of rhenium for secondary pressure calibration

With the increasing number of 100 s GPa experiments in the diamond anvil cell (DAC), improved accuracy in secondary pressure calibrations to extreme pressures is essential. The rhenium equation of state has been proposed as a pressure calibrant via x-ray diffraction with potentially broad applications as it is commonly used as a gasket material in DAC experiments. In this work, we conducted Raman spectroscopy experiments on rhenium in the DAC and report the pressure shift of the E2g mode, a refined high-pressure C44 and mode-Grüneisen parameter above 200 GPa. We used flat, beveled, and toroidal diamond anvils under quasi-hydrostatic and non-hydrostatic conditions. By measuring the E2g mode from the culet edge to the center, we analyzed pressure distribution based on culet type and distance from the anvil center. The shift in the E2g mode can be expressed as a function of pressure, and diamond edge measurements appear reliable across all anvil types. Comparing the center and edge pressures reveals anvil cupping, offering insights into predicting or preventing anvil failure during materials properties measurements at extreme conditions.

Diamond anvil cells↗
DOE OSTI2024

Field Performance of Commercial Building Load Flexibility Using Model Predictive Control

Model Predictive Control (MPC) applied to buildings is starting to see some commercial adoption by companies. However, it is hard to estimate if relative energy cost savings are enough to justify the cost of MPC implementation with few reported demonstrations. In small commercial and residential buildings, a one size-fits-all solution can help reduce implementation costs, while in very large buildings or districts the potential energy cost savings magnitude can cover more tailored solutions. This estimation becomes harder for medium to large commercial buildings, where a one-size-fits-all solution cannot be adopted and potential energy cost savings might not be sufficient to cover a tailored solution. Therefore, value propositions in addition to energy efficiency alone can make MPC technology more attractive through additional energy cost savings. One such value proposition is load shifting in response to dynamic electricity prices. On this aspect, MPC is a key technology to unlock building thermal mass for energy flexibility in response to electric grid conditions. This study shows the experimental results of MPC control of an office building in Berkeley, where different dynamic electricity price profiles were used in the MPC objective function to shift the building load and to calculate hypothetical electricity costs. Results show potential 50% cost savings with respect to the existing controller with the dynamic price scenario.

Zanetti, Ettore↗
DOE OSTI2024

Molecular mechanism of trehalose 6-phosphate inhibition of the plant metabolic sensor kinase SnRK1

SUCROSE-NON-FERMENTING1-RELATED PROTEIN KINASE1 (SnRK1), a central plant metabolic sensor kinase, phosphorylates its target proteins, triggering a global shift from anabolism to catabolism. Molecular modeling revealed that upon binding of KIN10 to GEMINIVIRUS REP-INTERACTING KINASE1 (GRIK1), KIN10’s activation T-loop reorients into GRIK1’s active site, enabling its phosphorylation and activation. Trehalose 6-phosphate (T6P) is a proxy for cellular sugar status and a potent inhibitor of SnRK1. T6P binds to KIN10, a SnRK1 catalytic subunit, weakening its affinity for GRIK1. Here, we investigate the molecular details of T6P inhibition of KIN10. Molecular dynamics simulations and in vitro phosphorylation assays identified and validated the T6P binding site on KIN10. Under high-sugar conditions, T6P binds to KIN10, blocking the reorientation of its activation loop and preventing its phosphorylation and activation by GRIK1. Under these conditions, SnRK1 maintains only basal activity levels, minimizing phosphorylation of its target proteins, thereby facilitating a general shift from catabolism to anabolism.

59 BASIC BIOLOGICAL SCIENCES↗