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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 OSTI2022

Thermal properties of the metallic delafossite PdCo⁢O 2 : A combined experimental and first-principles study

Metallic delafossite materials (e.g., PdCo⁢O 2 , PtCo⁢O 2 ), have attracted much recent attention due to record-high oxide conductivities, the origins of which remain unclear. Relatively little attention has been paid to their related thermal properties, however. Here, we address this via wide temperature range experimental studies of the crystal structure, thermal expansion, and specific heat of single-crystal PdCo⁢O 2 , combined with density-functional theory (DFT) calculations of the electronic and phononic densities of states, and thus thermal properties. PdCo⁢O 2 is shown to retain the $R\bar{3}m$ space group from 12 to 1000 K, exhibiting a- and c-axis thermal expansion in good quantitative agreement with DFT-based lattice dynamics calculations. The Co-O bond lengths additionally elucidate the stability of the low-spin state of the nominally Co 3+ ions, which is a notable difference between the edge-shared Co-O octahedra in PdCo⁢O 2 and the corner-shared octahedra in Co-based perovskites. Measurements of specific heat from 1.9 to 400 K provide accurate values for the Debye temperature and Sommerfeld coefficient, the phononic part being describable via a combined Debye-Einstein approach (accounting for high-frequency oxygen-related optical phonons), with excess intermediate-temperature specific heat due to a prominent low-energy peak in the phonon density of states. Most significantly, all electronic and phononic contributions to the specific heat are shown to be remarkably closely reproduced by DFT-based calculations, establishing quantitative understanding of key thermal properties of the metallic delafossite PdCo⁢O 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

First search for an anomalous excess of charged-current $\nu_e$ interactions without visible pions using the full MicroBooNE dataset

This public note presents an investigation of low-energy electron-neutrino events in the Fermilab Booster Neutrino Beam by the MicroBooNE experiment. This search is motivated by the excess of low energy electromagnetic events observed by the MiniBooNE experiment and, more broadly, by the landscape of neutrino anomalies observed at short baselines. This is the first measurement to use all of the data collected by the MicroBooNE experiment, corresponding to $1.1\times 10^{21}$ protons on target. Two exclusive samples of electron neutrinos without visible pions are used, one with visible protons and one without any visible protons. MicroBooNE data is compared to two empirical models of the MiniBooNE low energy excess, one obtained by enhancing the electron-neutrino content as a function of the neutrino energy, and one representing the excess for the first time as a function of the kinematics of shower energy and angle. This measurement excludes an electron-like interpretation of the MiniBooNE excess based on these models at $\geq 99\%$ confidence level in all kinematic variables.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Low-Energy Radon Backgrounds from Electrode Grids in Dual-Phase Xenon TPCs

The dual-phase xenon time projection chamber (TPC) is a powerful technology to detect rare interactions such as scatters of dark matter particles on nuclei. In particular, the built-in gain of ionization signals in a dual-phase TPC makes it sensitive to events in the few-electron regime, as expected from low-mass dark matter interactions. The pursuit of this low-energy sensitivity through ionization-only signal detection has so far been hindered by excessive electron backgrounds observed across experiments. Much of this background is attributed to the plate-out of $^{222}$Rn decay chain isotopes on the high voltage electrode grid surfaces that span the full cross section of the TPC. This work presents a first-principle model constructed for this background, the predictions of which are consistent with data from the LZ and LUX experiments. We then discuss mitigation strategies of this background in future dual-phase TPCs and the possibility of applying this grid background model to ionization-only dark matter searches.

Akerib, D. S. [SLAC; KIPAC, Menlo Park]↗
DOE OSTI2025

Search for an Anomalous Production of Charged-Current 𝜈 𝑒 Interactions without Visible Pions across Multiple Kinematic Observables in MicroBooNE

This Letter presents an investigation of low-energy electron-neutrino interactions in the Fermilab Booster Neutrino Beam by the MicroBooNE experiment, motivated by the excess of electron-neutrino-like events observed by the MiniBooNE experiment. This is the first measurement to use data from all five years of operation of the MicroBooNE experiment, corresponding to an exposure of 1.11 × 10 21 protons on target, a 70% increase on past results. Two samples of electron neutrino interactions without visible pions are used, one with visible protons and one without any visible protons. The MicroBooNE data show reasonable agreement with the nominal prediction, with 𝑝 values ≥26.7% when the two 𝜈 𝑒 samples are combined, though the prediction exceeds the data in limited regions of phase space. The data are further compared to two empirical models that modify the predicted rate of electron-neutrino interactions in different variables in the simulation to match the unfolded MiniBooNE low energy excess. In the first model, this unfolding is performed as a function of electron neutrino energy, while the second model aims to match the observed shower energy and angle distributions of the MiniBooNE excess. This measurement excludes an electronlike interpretation of the MiniBooNE excess based on these models at >99% CLs in all kinematic variables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

A stress-induced source of phonon bursts and quasiparticle poisoning

Abstract The performance of superconducting qubits is degraded by a poorly characterized set of energy sources breaking the Cooper pairs responsible for superconductivity, creating a condition often called “quasiparticle poisoning”. Both superconducting qubits and low threshold dark matter calorimeters have observed excess bursts of quasiparticles or phonons that decrease in rate with time. Here, we show that a silicon crystal glued to its holder exhibits a rate of low-energy phonon events that is more than two orders of magnitude larger than in a functionally identical crystal suspended from its holder in a low-stress state. The excess phonon event rate in the glued crystal decreases with time since cooldown, consistent with a source of phonon bursts which contributes to quasiparticle poisoning in quantum circuits and the low-energy events observed in cryogenic calorimeters. We argue that relaxation of thermally induced stress between the glue and crystal is the source of these events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Low-Energy Isomers of the Magic Number H + (H 2 O) 21 Cluster

Electronic structure calculations are used to characterize low-energy isomers of H + (H 2 O) 21 . Eleven different classes of isomers, based on the (H 2 O) 20 pentagonal dodecahedron with the excess proton localized on the surface (as a hydrated hydronium ion) and the “extra” water molecule located in the interior of the cluster, are characterized. In 10 of these classes, the internal water molecule is engaged in six 5-membered rings, but in the remaining class, which is predicted to start at only 0.6 kcal/mol above the global minimum, the internal water is engaged in a 4- membered ring, an additional 6-membered ring, and four 5- membered rings. In addition, isomers with two 4-membered rings and two 6-membered rings on the cluster surface are predicted to start at only ∼1.3 kcal/mol above the lowest-energy dodecahedralbased structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Nuclear masses learned from a probabilistic neural network

Machine learning methods and uncertainty quantification have been gaining interest throughout the last several years in low-energy nuclear physics. In particular, Gaussian processes and Bayesian neural networks have increasingly been applied to improve mass model predictions while providing well-quantified uncertainties. In this work, we use the probabilistic Mixture Density Network (MDN) to directly predict the mass excess of the 2016 Atomic Mass Evaluation within the range of measured data, and we extrapolate the inferred models beyond available experimental data. The MDN provides not only mean values but also full posterior distributions both within the training set and extrapolated testing set. We show that the addition of physical information to the feature space increases the accuracy of the match to the training data as well as provides for more physically meaningful extrapolations beyond the the limits of experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A Search for Correlated Low-energy Electron Antineutrinos in KamLAND with Gamma-Ray Bursts

We present the results of a time-coincident event search for low-energy electron antineutrinos in the KamLAND detector with gamma-ray bursts (GRBs) from the Gamma-ray Coordinates Network and Fermi Gamma-ray Burst Monitor. Using a variable coincidence time window of ±500 s plus the duration of each GRB, no statistically significant excess above the background is observed. We place the world’s most stringent 90% confidence level upper limit on the electron antineutrino fluence below 17.5 MeV. Assuming a Fermi–Dirac neutrino energy spectrum from the GRB source, we use the available redshift data to constrain the electron antineutrino luminosity and effective temperature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Limits on the Low-energy Electron Antineutrino Flux from the Brightest Gamma-Ray Burst of All Time

The electron antineutrino flux limits are presented for the brightest gamma-ray burst (GRB) of all time, GRB221009A, over a range of 1.8–200 MeV using the Kamioka Liquid Scintillator Antineutrino Detector. Using multiple time windows ranging from minutes to days surrounding the event to search for electron antineutrinos coincident with the GRB, we set an upper limit on the flux under the assumption of several power-law neutrino source spectra, with power-law indices ranging from 1.5 to 3 in steps of 0.5. No excess was observed in any time windows ranging from seconds to days around the event trigger time T 0 . For a power-law index of 2 and a time window of T 0 ± 500 s, a flux upper limit of 2.34 × 10 9 cm −2 was calculated. The limits are compared to the results presented by IceCube.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Constraining the P 30 ( p , γ ) S 31 Reaction Rate in ONe Novae via the Weak, Low-Energy, β -Delayed Proton Decay of Cl 31

The 30 P(p,γ) 31 S reaction plays an important role in understanding the nucleosynthesis of A ≥ 30 nuclides in oxygen-neon novae. The Gaseous Detector with Germanium Tagging was used to measure 31 Cl β-delayed proton decay through the key J π = 3/2 + , 260-keV resonance. The intensity $I$$^{260}_{βp}$ = $8.3$$^{+1.2}_{–0.9}$ × 10 –6 represents the weakest β-delayed, charged-particle emission ever measured below 400 keV, resulting in a proton branching ratio of Γ p /Γ = $2.5$$^{+0.4}_{–0.3}$ × 10 –4 . Here, by combining this measurement with shell-model calculations for Γγ and past work on other resonances, the total 30 P(p,γ) 31 S rate has been determined with reduced uncertainty. The new rate has been used in hydrodynamic simulations to model the composition of nova ejecta, leading to a concrete prediction of 30 Si: 28 Si excesses in presolar nova grains and the calibration of nuclear thermometers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Flue-Gas Desulfurization Effluent Management using an Innovative Low-Energy Biosorpotion Treatment System to Remove Key Contaminants

Among the most critical water contaminants of concern affecting wide geographical regions and a number of industries and natural systems is selenium. Selenium found in surface, ground and wastewater in originates from natural sources, as well as industrial sources such as petroleum refineries, electronics manufacturing, pesticides, and coal power plants and mining also contribute to selenium contamination in water in the US. At high concentrations, selenium is toxic to human and wildlife. There are a number of technologies that have been used to treat selenium and other similar contaminants in water. Biological treatment of selenium has been used in the past to reduce soluble SeVI and/or SeIV to insoluble Se0, which is then filtered in the same vessel. The insoluble selenium (Se0) is then backwashed from the system and solids are separated for subsequent disposal, if they meet the leaching and water content criteria. In order to promote biological reduction to insoluble Se0, heating of bioreactor is needed in some applications, and excess food source (electron donor) is added so that all selenium can be filtered. An additional disadvantage of these systems is the significant amount of water lost due to extensive and frequent backwash and rinse cycles. When comparing the advantages and energy requirements of the various treatment technologies, RO membrane filtration immediately stands out due to the excessive energy expenditure needed to pump water across the membrane although RO is an effective way to remove selenium. In addition, RO requires extensive pretreatment, such as MF membrane, and frequent maintenance, rendering it an expensive option that may be out of reach for certain applications. In fact, although the performance was good during the pilot testing by the NSMP Working Group for treatment naturally occurring selenium in the surface water, the high electricity requirements and significant reject water stream made it an infeasible alternative. While conventional ion exchange maybe an effective treatment option, it requires frequent regeneration of the resin when applied to highly contaminated water, which leads to several tons of contaminant-laden, high-salinity brine that needs to be disposed off-site each day. One of the water systems in the west coast currently uses ion exchange for selenium treatment and has been trucking selenium laden hazardous brine waste weekly in the last several years. Pneumatic pumping and rinse water pumping required for ion exchange also increase the energy usage. In comparison, adsorption process is a passive treatment system where contaminated water comes in contact with an adsorption media in a vessel. Typically, there is no mixing, backwash, or recycle pumping required, thus significantly reducing the energy usage. A passive single-use adsorption system does not require backwash, thereby generating small amount of process waste, and producing the highest water yield among the alternatives. The energy and water efficiencies, and applicability for SeVI and SeIV are summarized in Table 1. Despite these benefits though, adsorption typically does not work for the most oxidized form of selenium (SeVI). The innovative biosorption process integrates both process to increase the treatment efficiency while minimizing energy, chemical, and time required to treat both SeVI and SeIV. Additional advantages include simple partial biological reduction with reduced on-site waste generation, which lead to water and electricity savings, and less operational need compared to biological treatment alone. This makes biosorption especially suitable for remote areas, where liquid backwash and brine disposal may be cost prohibitive or infeasible.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Optical Strain Sensing for Particle Detection

Optomechanical strain sensing provides attractive opportunities for novel particle detection schemes, as well as studying stress-induced (i.e. non-radiogenic) phonon bursts, which have been demonstrated to limit the coherence times of superconducting qubits and are a suspected culprit in the low energy excesses observed by many dark matter direct detection experiments. We are investigating SiN microring optical resonator strain sensors, developed at Purdue University, for applications in fundamental particle sensing and QIS. These sensors can be embedded in the substrate upon which superconducting qubits are patterned, providing a handle to distinguish decoherence events of radiogenic origin from those due to crystal stress. In a similar way, these sensors can be operated in conjunction with superconducting detectors (e.g., MKIDs, TES) to enable multi-channel readout of particle interactions in the device substrate or serve as anticoincidence detectors, which may be required to ident ify low-energy interactions from dark matter particles down to the fermionic thermal relic mass limit of a few keV. Such sensors can potentially be used to directly observe resonant scattering processes of gamma rays (and perhaps neutrinos) where no detectable quanta are produced in the target, via the microscopic stress induced by the momentum transfer to the (fixed-in-place) crystal lattice as a whole. These strain sensors have so far found application in photonics and communications, but have yet to be adopted for HEP uses, where they can provide unique capabilities in the search for dark matter as well as understanding and improving the coherence times of superconducting qubits.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Optical Strain Sensing for HEP and QIS

Optomechanical strain sensing provides attractive opportunities for novel particle detection schemes, as well as studying stress-induced (i.e. non-radiogenic) phonon bursts, which have been demonstrated to limit the coherence times of superconducting qubits [1,2] and are a suspected culprit in the low energy excesses observed by many dark matter direct detection experiments [3,4]. We are investigating SiN microring optical resonator strain sensors, developed at Purdue University [5], for applications in fundamental particle sensing and QIS. These sensors can be embedded in the substrate upon which superconducting qubits are patterned, providing a handle to distinguish decoherence events of radiogenic origin from those due to crystal stress. In a similar way, these sensors can be operated in conjunction with superconducting detectors (e.g., MKIDs, TES) to enable multi-channel readout of particle interactions in the device substrate or serve as anticoincidence detectors, which may be r equired to identify low-energy interactions from dark matter particles down to the fermionic thermal relic mass limit of a few keV. Such sensors can also be used to directly observe resonant scattering processes of gamma rays (and perhaps neutrinos) where no detectable quanta are produced in the target, via the microscopic strain induced by the momentum transfer to the (fixed-in-place) crystal lattice as a whole. These strain sensors have so far found application in photonics and communications, but have yet to be adopted for HEP uses, where they can provide unique capabilities in the search for dark matter, observing neutrino interactions, and improving the coherence times of superconducting qubits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Ab initio predictions link the neutron skin of 208 Pb to nuclear forces

Heavy atomic nuclei have an excess of neutrons over protons, which leads to the formation of a neutron skin whose thickness is sensitive to details of the nuclear force. This links atomic nuclei to properties of neutron stars, thereby relating objects that differ in size by orders of magnitude. The nucleus 208 Pb is of particular interest because it exhibits a simple structure and is experimentally accessible. However, computing such a heavy nucleus has been out of reach for ab initio theory. By combining advances in quantum many-body methods, statistical tools and emulator technology, we make quantitative predictions for the properties of 208 Pb starting from nuclear forces that are consistent with symmetries of low-energy quantum chromodynamics. We explore 10 9 different nuclear force parameterizations via history matching, confront them with data in select light nuclei and arrive at an importance-weighted ensemble of interactions. We accurately reproduce bulk properties of 208 Pb and determine the neutron skin thickness, which is smaller and more precise than a recent extraction from parity-violating electron scattering but in agreement with other experimental probes. This work demonstrates how realistic two- and three-nucleon forces act in a heavy nucleus and allows us to make quantitative predictions across the nuclear landscape.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Ultrafast Formation of Jahn–Teller Polarons Revealed by State-Selective Excitation in Correlated Spinel Co 3 O 4

Jahn–Teller polarons are quasiparticles that stem from symmetry breaking and strong local electron–phonon coupling. They originate from an excess charge carrier being dressed by a local lattice distortion, caused by the Jahn–Teller effect, and they critically impact electrical, structural, and magnetic properties in transition metal oxides. The observation of the microscopic steps involved in their formation is essential for enabling control over material properties through the targeted activation of local, site-specific modifications with light pulses. While Jahn–Teller distortion associated with polaron formation was predicted to contribute significantly to changes in electronic band gap and optical properties in Co 3 O 4 , its experimental observation remains elusive, requiring signatures of local symmetry reduction. In this work, we demonstrate Jahn–Teller polaron formation in spinel Co 3 O 4 . By exciting electronic transitions at 3.10 eV and 1.55 eV, we target either the Oh Cobalt(III) or the Td Cobalt(II) ions, and drive the subsequent coherent responses of the system through two different pathways. For the former, we demonstrate that ligand-to-metal charge transfer leads to Jahn–Teller polaron formation, which is linked to the deformation potential and magnetoelastic coupling. For the latter, we identify the coherent excitation of a T 2g phonon mode launched by on-site d-d electronic transitions. Key to our observations is the ability to target site-specific electronic excitations in spinel Co 3 O 4 using ultrafast optical pulses, while monitoring the ensuing low-energy collective modes through the coherent time-domain response of the material. Our approach, which combines the comparative analysis of experimental fingerprints with the support from density functional theory calculations, is broadly applicable to systems in which Jahn–Teller polaron physics has been theoretically predicted but remains experimentally unverified, and it underscores the potential of electronic-state targeting as a route to selectively excite and probe quasiparticle dynamics in solids.

Lattices↗
DOE OSTI2022

Photoinitiator Selection and Concentration in Photopolymer Formulations towards Large-Format Additive Manufacturing

Photopolymers are an attractive option for large-format additive manufacturing (LFAM), because they can be formulated from structural thermosets and cure rapidly in ambient conditions under low-energy ultraviolet light-emitting diode (UV LED) lamps. Photopolymer cure is strongly influenced by the depth penetration of UV light, which can be limited in the 2–4 mm layer thicknesses typical of LFAM. Photoinitiator (PI) systems that exhibit photobleaching have proven useful in thick-section cure applications, because they generate a photoinitiation wavefront, but this effect is time-dependent. This study investigates the light transmission and through-thickness cure behavior in (meth)acrylate photopolymer formulations with the photobleaching initiator bis(2,4,6-trimethylbenzoyl)-phenylphosphine oxide (BAPO). Utilizing an optical model developed by Kenning et al., lower concentrations (0.1 wt% to 0.5 wt%) of BAPO were predicted to yield rapid onset of photoinitiation. In situ cure measurements under continuous UV LED irradiation of 380 mW/cm2 showed that a 0.1 wt% concentration of BAPO achieved peak polymerization rate within 2.5 s at a 3-mm depth. With only 1 s of irradiation at 1.7 W/cm2 intensity, the 0.1 wt% BAPO formulation also achieved the highest level of cure of the formulas tested. For an irradiation dose of 5.5 J/cm2 at a duration of 3.7 s, cured polymer specimens achieved a flexural strength of 108 MPa and a flexural modulus of 3.1 GPa. This study demonstrates the utility of optical modeling as a potential screening tool for new photopolymer formulations, primarily in identifying an upper limit to PI concentration for the desired cure depth. The results also show that photobleaching provides only a limited benefit for LFAM applications with short (1.0 s to 3.7 s) UV irradiation times and indicate that excess PI concentration can inhibit light transmission even under extended irradiation times up to 60 s.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning the low-energy band structure in twisted bilayer WSe2

Tuning the electronic structures of two-dimensional (2D) material-based heterostructures is of crucial importance for their use in functional next-generation electronics. Here, through angle-resolved photoemission spectroscopy with nanoscale spatial resolution (nano-ARPES), we systematically track the evolution of the near-Fermi-level electronic structure of bilayer WSe2 over a large range of twist angle. While the momentum positioning of the valence-band maxima (VBM) is independent of twist angle, we find that the energetic separation between the hole bands at the K point of the Brillouin zone and the higher binding-energy hole band at Γ can be varied in excess of 100 meV. We explore the mechanisms underpinning this evolution and discuss the implications for tuning both the size of the band gaps, and the efficiency of the spin-dependent electron-phonon coupling channels in homobilayer transition-metal dichalcogenide devices.

Vu, T-H-Y↗
DOE OSTI2023

Dark matter searches and energy accumulation and release in materials

Efforts to identify dark matter by detecting nuclear recoils produced by dark matter particles reveal low-energy backgrounds of unknown origin in different types of detectors. In many cases, energy accumulation and delayed burst-like releases of stored energy could provide an explanation. These dynamics follow Prigogine’s ideas on systems with energy flow and the general Self-Organized Criticality scenario. We compare these models with properties of excess backgrounds in cryogenic solid-state detectors, relaxation processes in glasses and crystals, our observations of delayed luminescence in NaI(Tl), and make predictions for more phenomena present in these systems and in superconducting photon detectors and qubits. Experiments to create accurate phenomenological models are needed.

Pereverzev, Sergey↗