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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Evaluating the Impact of Off-Design CHP Performance on the Optimal Sizing and Dispatch on Hybrid Renewable-CHP Distributed Energy Resources

The maturation of distributed energy resources (DER) has prompted the exploration of their deployment in commercial building applications due to their potential to supply energy at lower costs and emissions rates compared to centralized generation. While several software tools exist for evaluating the techno-economic potential of integrated renewable energy and combined heat and power (CHP) systems for distributed generation applications, many suffer from poor accuracy in capturing off-design (part load and changes in ambient air temperature and pressure) performance characteristics of microturbines, combustion turbines, or internal combustion engines. Thus, this paper presents a methodology for integrating these off-design characteristics in the mixed-integer linear program within REopt, a hybrid DER screening tool. The economic impact of the CHP off-design performance is observed through several application studies of various hybrid system configurations in different climates. Each study indicates how CHP off-design performance influences optimal sizing and dispatch decisions and therefore overall system economic value. We observe through case studies that modeling without the off-design effects, depending on the CHP prime mover and site, can result in Net Present Value predictions of hybrid systems that can be overoptimistic in frequently hot climates (up to 52%), too conservative in frequently cold climates (up to 11%), or unaffected (+/-1%) in temperate climates. Cases also highlight several advantages of hybrid systems relative to non-hybrid systems such as total economic value and the systems' ability to mitigate potentially negative consequences attributed to off-design performance.

ambient de-rate↗
DOE OSTI2023

Impact of heating and cooling loads on battery energy storage system sizing in extreme cold climates

Efficient operation of battery energy storage systems requires that battery temperature remains within a specific range. Current techno-economic models neglect the parasitic loads heating and cooling operations have on these devices, assuming they operate at constant temperature. In this work, these effects are investigated considering the optimal sizing of battery energy storage systems when deployed in cold environments. Here, a peak shaving application is presented as a linear programming problem which is then formulated in the PYOMO optimization programming language. The building energy simulation software EnergyPlus is used to model the heating, ventilation, and air conditioning load of the battery energy storage system enclosure. Case studies are conducted for eight locations in the United States considering a nickel manganese cobalt oxide lithium ion battery type and whether the power conversion system is inside or outside the enclosure. The results show an increase of 42% to 300% in energy capacity size, 43% to 217% in power rating, and 43% to 296% increase in capital cost dependent on location. This analysis shows that the heating, ventilation, and air conditioning load can have a large impact on the optimal sizes and cost of a battery energy storage system and merit consideration in techno-economic studies.

25 ENERGY STORAGE↗
DOE OSTI2025

Effects of carbon substitution on magnetic properties and magnetocaloric effects in Mn 65-x Ga 17 C 18+x compounds

This study involved the tuning of the magnetic, magnetocaloric, and room-temperature structural properties of Mn 65-x Ga 17 C 18+x (0 ≤ x ≤ 4) compounds prepared using a high-energy ball milling (HEBM) technique. This study indicates that the crystal structure of all the compounds can be described as an anti-perovskite cubic structure with the Pm-3m space group and the crystal cell volume decreases with increasing carbon concentration. The system shows a first-order structural phase transition at a temperature T=T M between two cubic phases having different magnetic structures. The phases are characterized by antiferromagnetic (AFM) and ferromagnetic (FM) -like behavior at low (T < T M ) and high (T M > T) temperature regions, respectively. A suppression of the AFM phase was observed with increasing C concentration. The temperature-induced first-order transitions (FOTs) were found to possess a small thermal hysteresis in the magnetization (~2-3 K) in an applied magnetic field of H = 50 kOe. Magnetic entropy changes estimated from isothermal magnetization curves indicate that the largest value of the magnetic entropy change of |ΔS M | = 2.1 J kg -1 K -1 for x = 4 with ΔH = 50 kOe, with a relative cooling power (RCP) of ~190 J kg -1 . Furthermore, high-energy ball milling (HEBM), a scalable technique, has been demonstrated as a viable method to synthesize magnetocaloric materials with substantial RCP values.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unraveling Enhanced Superconductivity in Single-Layer FeSe through Substrate Surface Terminations

Single-layer FeSe on SrTiO 3 (001) substrates shows a superconducting transition temperature much higher than that of bulk FeSe, which has been attributed to factors such as electron doping, interfacial electron–phonon coupling, and electron correlations. To pinpoint the primary driver, we grew single-layer FeSe films on SrTiO 3 (001) substrates with coexisting TiO 2 and SrO surface terminations. Scanning tunneling spectroscopy revealed a larger superconducting gap (17.0 meV) on the TiO 2 -termination than on the SrO-termination (10.5 meV). Tunneling spectroscopy also showed a larger work function on the SrO surface, resulting in reduced charge transfer to FeSe, as confirmed by angle-resolved photoemission spectroscopy. Scanning transmission electron microscopy further revealed distinctive interfacial atomic-scale structures, with the Se–Fe–Se tetrahedral angle changing from 109.5° on the SrO-termination to 104.9° on the TiO 2 -termination. Compared to dynamical mean field theory calculations, our results indicate that enhanced superconductivity in single-layer FeSe/TiO 2 arises from optimal electron correlations, in addition to sufficient charge transfer from the substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Mechanistic Study of Functional Electrolyte Solvents for High-Voltage Lithium Batteries

The pervasive use of Ni-rich cathode active materials, e.g., LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), for high-energy-density Li-ion batteries (LIBs) has been hindered by rapid battery capacity decay when cycled with high charge cutoff voltages due to electrolyte decomposition in the conventional carbonate solvent-based electrolytes, oxidative parasitic side reactions at the electrolyte/cathode interface, and irreversible phase changes in the cathode active materials leading to dissolution of transition metals into the electrolytes. Various functional electrolyte solvents have been studied to tackle the above technical challenges, yet the roles of individual solvents in the performance of LIBs remain poorly understood. Here, in this study, we systematically investigate electrochemical performance mechanisms of fluorinated and organosilicon single solvents and cosolvents, for the first time, in high-voltage Li/NMC811 batteries, using electrochemical and analytical characterizations and density functional theory modeling. We observe that some unique combinations of the functional solvents can lead to exceptionally stable high-voltage cycle performance in the Ni-rich cathode-based LIBs. Our mechanistic study reveals that the synergistic effect of solvents plays a vital role in enabling electrochemical stability at both the Ni-rich cathode and the Li metal anode. Understanding the electrochemical performance mechanisms of functional solvents can greatly help in designing and formulating advanced electrolytes that enable the development of high-voltage, high-energy-density, long-cycle-life lithium batteries.

density functional theory modeling↗
DOE OSTI2023

Visualizing symmetry-breaking electronic orders in epitaxial Kagome magnet FeSn films

Abstract Kagome lattice hosts a plethora of quantum states arising from the interplay of topology, spin-orbit coupling, and electron correlations. Here, we report symmetry-breaking electronic orders tunable by an applied magnetic field in a model Kagome magnet FeSn consisting of alternating stacks of two-dimensional Fe 3 Sn Kagome and Sn 2 honeycomb layers. On the Fe 3 Sn layer terminated FeSn thin films epitaxially grown on SrTiO 3 (111) substrates, we observe trimerization of the Kagome lattice using scanning tunneling microscopy/spectroscopy, breaking its six-fold rotational symmetry while preserving the translational symmetry. Such a trimerized Kagome lattice shows an energy-dependent contrast reversal in dI/dV maps, which is significantly enhanced by bound states induced by Sn vacancy defects. This trimerized Kagome lattice also exhibits stripe modulations that are energy-dependent and tunable by an applied in-plane magnetic field, indicating symmetry-breaking nematicity from the entangled magnetic and charge degrees of freedom in antiferromagnet FeSn.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Search for charge non-conservation and Pauli exclusion principle violation with the M AJORANA D EMONSTRATOR

Charge conservation and the Pauli exclusion principle result from fundamental symmetries in the standard model of particle physics, and are typically taken as axiomatic. High-precision tests for small violations of these symmetries could point to new physics. Here we consider three models for violation of these processes, which would produce detectable ionization in the high-purity germanium detectors of the M AJORANA D EMONSTRATOR experiment. Using a 37.5 kg yr exposure, we report a lower limit on the electron mean lifetime, improving the previous best limit for the e → v e $\overline{v_e}$ v e decay channel by more than an order of magnitude. Here, we also present searches for two types of violation of the Pauli exclusion principle, setting limits on the probability of an electron to be found in a symmetric quantum state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Optimal Dispatch for the US Virgin Islands to Increase Renewable Rates in Saint Croix

The US Virgin Islands, like many other small island nations, face significant challenges related to its energy supply. Their dependency on imported fossil fuels not only drives up energy costs, but also contributes to different environmental problems. Nevertheless, their generally sunny and windy climate makes this archipelago an ideal location for renewable energy development. Increasing the use of sources such as wind, and solar can help reduce their energy dependency, lower their levelized cost of electricity, and improve the health and wellbeing of local communities. In this paper, an optimal dispatcher is employed to analyze the implications on energy security of employing different technology options according to the plans of the local system operator. In this context, short term stability is ensured by inserting operational constraints in the energy management system based on stability analysis developed in PSCAD. The results highlight the usefulness of integrating PV and battery system, while further analysis are required to justify integrating wind power.

energy islands↗
DOE OSTI2023

Atomic-scale electronic inhomogeneity in single-layer iron chalcogenide alloys revealed by machine learning of STM/S data

Chemical pressure from the isovalent substitution of Se by a larger Te atom in the epitaxial film of iron chalcogenide FeSe can effectively tune its superconducting, topological, and magnetic properties. However, such substitution during epitaxial growth inherently leads to defects and structural inhomogeneity, making the determination of alloy composition and atomic sites for the substitutional Te atoms challenging. Here, we utilize machine learning to distinguish between Se and Te atoms in scanning tunneling microscopy images of single-layer FeSe1−xTex on SrTiO3(001) substrates. Defect locations are first identified by analyzing spatial-dependent dI/dV tunneling spectra using the K-means clustering method. After excluding the defect regions, the remaining dI/dV spectra are further analyzed using the singular value decomposition method to determine the Se/Te ratio. Our findings demonstrate an effective and reliable approach for determining alloy composition and atomic-scale electronic inhomogeneity in superconducting single-layer iron chalcogenide films.

Materials Science↗
DOE OSTI2023

Modeling backgrounds for the majorana demonstrator

The MAJORANA DEMONSTRATOR is a neutrinoless double-beta decay (0?ß ß ) experiment containing ~30 kg of p-type point contact germanium detectors enriched to 88% in 76Ge and ~14 kg of natural germanium detectors. The detectors are housed in two electroformed copper cryostats and surrounded by a graded passive shield with active muon veto. An extensive radioassay campaign was performed prior to installation to insure the use of ultra-clean materials. The DEMONSTRATOR achieved one of the lowest background rates in the region of the 0?ß ß Q-value, 15.7 ± 1.4 cts/(FWHM t y) from the low-background configuration spanning most of the 64.5 kg-yr active exposure. Nevertheless this background rate is a factor of five higher than the projected background rate. This discrepancy arises from an excess of events from the 232Th decay chain. Background model fits aim to understand this deviation from assay-based projections, potentially determine the source(s) of observed backgrounds, and allow a precision measurement of the two-neutrino double-beta decay half-life. The fits agree with earlier simulation studies, which indicate the origin of the 232Th excess is not from a near-detector component and have informed design decisions for the next-generation LEGEND experiment. Recent findings have narrowed the suspected locations for the excess activity, motivating a final simulation and assay campaign to complete the background model.

Haufe, Christopher R.↗
DOE OSTI2020

Results of the MAJORANA DEMONSTRATOR’s Search for Double-Beta Decay of 76 Ge to Excited States of 76 Se

The MAJORANA DEMONSTRATOR is searching for double-beta decay of 76 Ge to excited states (E.S.) in 76Se using a modular array of high purity Germanium detectors. 76 Ge can decay into three E.S.s of 76 Se. The E.S. decays have a clear event signature consisting of a ββ-decay with the prompt emission of one or two γ-rays, resulting in with high probability in a multi-site event. The granularity of the DEMONSTRATOR detector array enables powerful discrimination of this event signature from backgrounds. Using 21.3 kg-y of isotopic exposure, the DEMONSTRATOR has set world leading limits for each E.S. decay, with 90% CL lower half-life limits in the range of (0.56 – 2.1) • 10 24 y. In particular, for the 2v transition to the first 0 + E.S. of 76 Se, a lower half-life limit of 0.68 • 10 24 at 90% CL was achieved.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The Majorana Demonstrator readout electronics system

The M AJORANA D EMONSTRATOR comprises two arrays of high-purity germanium detectors constructed to search for neutrinoless double-beta decay in 76 Ge and other physics beyond the Standard Model. Its readout electronics were designed to have low electronic noise, and radioactive backgrounds were minimized by using low-mass components and low-radioactivity materials near the detectors. This paper provides a description of all components of the M AJORANA D EMONSTRATOR readout electronics, spanning the front-end electronics and internal cabling, back-end electronics, digitizer, and power supplies, along with the grounding scheme. The spectroscopic performance achieved with these readout electronics is also demonstrated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Energy calibration of germanium detectors for the Majorana Demonstrator

The Majorana Demonstrator was a search for neutrinoless double-beta decay (0νββ) in the 76 Ge isotope. It was staged at the 4850-foot level of the Sanford Underground Research Facility (SURF) in Lead, SD. The experiment consisted of 58 germanium detectors housed in a low background shield and was calibrated once per week by deploying a 228 Th line source for 1 to 2 hours. The energy scale calibration determination for the detector array was automated using custom analysis tools. We describe the offline procedure for calibration of the Demonstrator germanium detectors, including the simultaneous fitting of multiple spectral peaks, estimation of energy scale uncertainties, and the automation of the calibration procedure.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Gas-phase metallicity determinations in nearby AGNs with SDSS-IV MaNGA: evidence of metal-poor accretion

ABSTRACT We derive the metallicity (traced by the O/H abundance) of the narrow-line region (NLR) of 108 Seyfert galaxies as well as radial metallicity gradients along their galaxy discs and of these of a matched control sample of no active galaxies. In view of that, observational data from the SDSS-IV MaNGA survey and strong emission-line calibrations taken from the literature were considered. The metallicity obtained for the NLRs was compared to the value derived from the extrapolation of the radial oxygen abundance gradient, obtained from H ii region estimates along the galaxy disc, to the central part of the host galaxies. We find that, for most of the objects ($\sim 80\, {{\ \rm per\ cent}}$), the NLR metallicity is lower than the extrapolated value, with the average difference ($\langle$D$\rangle$) between these estimates ranging from 0.16 to 0.30 dex. We suggest that $\langle$D$\rangle$ is due to the accretion of metal-poor gas to the AGN that feeds the nuclear supermassive black hole (SMBH), which is drawn from a reservoir molecular and/or neutral hydrogen around the SMBH. Additionally, we look for correlations between D and the electron density (Ne), [O iii]λ5007, and H α luminosities, extinction coefficient (AV) of the NLRs, as well as the stellar mass (M*) of the host galaxies. Evidence of an inverse correlation between the D and the parameters Ne, M*, and Av was found.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Chemical abundances in Seyfert galaxies – X. Sulphur abundance estimates

For the first time, the sulphur abundance relative to hydrogen (S/H) in the narrow-line regions of a sample of Seyfert 2 nuclei (Sy 2s) has been derived via direct estimation of the electron temperature. Narrow emission-line intensities from the Sloan Digital Sky Survey (SDSS) Data Release 17 (DR17) [in the wavelength range 3000 < λ(Å) < 9100] and from the literature for a sample of 45 nearby (z < 0.08) Sy 2s were considered. Our direct estimates indicate that Sy 2s have similar temperatures in the gas region where most of the $\rm S\rm ^{+}$ ions are located in comparison with that of star-forming regions (SFs). However, Sy 2s present higher temperature values (${\sim} 10\, 000$ K) in the region where most of the $\rm S\rm ^{2+}$ ions are located relative to that of SFs. We derive the total sulphur abundance in the range of $6.2 \: \lesssim 12+\log (\rm S/H) \: \lesssim \: 7.5$, corresponding to 0.1–1.8 times the solar value. These sulphur abundance values are lower by ∼0.4 dex than those derived in SFs with similar metallicity, indicating a distinct chemical enrichment of the interstellar medium (ISM) for these object classes. The sulphur abundance relative to oxygen (S/O) values for our Sy 2 sample present an abrupt (∼0.5 dex) decrease with increasing oxygen abundance relative to hydrogen (O/H) for the high-metallicity regime [$\rm 12+\log (O/H) \: \gtrsim 8.7)$], what is not seen for the SFs. However, when our Sy 2 estimates are combined with those from a large sample of SFs, we did not find any dependence between S/O and O/H.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Determining star formation rates in AGN hosts from strong optical emission lines

ABSTRACT The influence of Active Galactic Nuclei (AGN) on star formation within their host galaxies remains a topic of intense debate. One of the primary challenges in quantifying the star formation rate (SFR) within AGN hosts arises from the prevalent assumption in most methodologies, which attribute gas excitation to young stars alone. However, this assumption does not consider the contribution of the AGN to the ionization of the gas in their environment. To address this issue, we evaluate the use of strong optical emission lines to obtain the SFR surface density ($\Sigma {{\rm SFR_{AGN}}}$) in regions predominantly ionized by an AGN, using a sample of 293 AGN hosts from the MaNGA survey, with SFR measurements available through stellar population fitting. We propose calibrations involving the H$\alpha$ and [O iii]$\lambda$5007 emission lines, which can be used to determine $\Sigma {{\rm SFR_{AGN}}}$, resulting in values consistent with those estimated through stellar population fitting.

de Mellos, Maitê S. Z. (ORCID:0009000821841403)↗
DOE OSTI2020

Electron Tunneling and X-Ray Photoelectron Spectroscopy Studies of the Superconducting Properties of Nitrogen-Doped Niobium Resonator Cavities

Scanning tunneling microscopy and spectroscopy and X-ray photoelectron spectroscopy (XPS) have been used to investigate the differences between the surface electronic structures and chemical structure of typically prepared and N-doped Nb cutouts from superconducting radio frequency (SRF) cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radiofrequency magnetic field, which has been observed by many groups on N-doped Nb cavities. In particular, we address the effects of N-doping on the superconducting properties at the surface of SRF cavities. XPS measurements reveal a significantly more oxidized Nb 3d states on the N-doped Nb surfaces which is confirmed by tunneling spectroscopy measurements. Analysis of the tunneling spectra in the framework of a recent model (A. Gurevich and T. Kubo Phys. Rev. B 96, 184515 (2017)) shows that the N-doping greatly reduces local distribution of superconducting properties on the surface, causes a significant shrinkage of the metallic suboxide and changes the contact resistance between the metallic suboxide and the bulk niobium toward an optimum value, resulting in a lower surface resistance. Combination of these factors enables one to effectively tune the density of states at the surface and to reveal the decrease of the surface resistance with the radio frequency field which follows from the BCS theory. A slightly reduced average gap and a smaller coherence length, revealed by tunneling spectroscopy in the vortex cores, have been found in the N-doped Nb samples compared to typically prepared Nb samples, indicating a stronger impurity scattering caused by nitrogen doping in a moderately disordered material.

Lechner, Eric M.↗