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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The influence of ambient light spectrum (LED, INC, CFL, Xenon…) on the efficiency of perovskite indoor photovoltaic solar cells for Internet of Things (IoT) applications

This record provides a numerical investigation of a MAGeI₃-based perovskite solar cell with the structure FTO/TiO₂/MAGeI₃/Spiro-OMeTAD, evaluated for both outdoor and indoor light-harvesting applications using the SCAPS-1D simulator. Device performance is analyzed under AM 1.5G sunlight and several artificial light sources, including LED, incandescent, compact fluorescent lamp (CFL), flashlight, and xenon illumination. The study reports initial and optimized power conversion efficiencies and examines the influence of absorber layer thickness and bandgap on device performance under different lighting conditions. The results highlight the potential of MAGeI₃-based perovskite solar cells for indoor energy harvesting and low-power Internet of Things (IoT) applications.

14 SOLAR ENERGY↗
DOE OSTI2025

Adsorption Studies of Dilute Krypton and Xenon from Nitrogen on SBMOF-1 and Activated Charcoal for Applications in Isotope Harvesting

Adsorptive partitioning of dilute krypton (Kr) and xenon (Xe) onto Stony Brook Metal–Organic Framework (SBMOF-1) and activated charcoal (AC) from carrier nitrogen was experimentally measured at temperatures ranging from 195 to 293 K. For this purpose, a closed-loop system for gas adsorption experiments was developed. From the Kr adsorption measurements, the adsorption equilibrium constant for Kr on SBMOF-1 was calculated, yielding a value for the enthalpy of adsorption of −19 ± 1 kJ·mol –1 . The partition coefficients were utilized to estimate the extraction rates of 76 Kr, 77 Kr, and 122 Xe isotopes during isotope harvesting at the Facility for Rare Isotope Beams (FRIB). We conclude that both materials showed promising results for the extraction of noble gases from FRIB effluents using temperature swing adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Auger electron angular distributions following excitation or ionization from the Xe 3d and F 1s levels in xenon difluoride

Linearly polarized synchrotron radiation has been used to record polarization dependent, non-resonant Auger electron spectra of XeF 2 , encompassing the bands due to the xenon M 45 N 1 N 45 , M 45 N 23 N 45 , M 45 N 45 N 45 and M 45 N 45 V and fluorine KVV transitions. Resonantly excited Auger spectra have been measured at photon energies coinciding with the Xe 3d 5/2 → σ* and the overlapped Xe 3d 3/2 /F 1s → σ* excitations in XeF 2 . The non-resonant and resonantly excited spectra have enabled the Auger electron angular distributions, as characterized by the β A parameter, to be determined for the M 45 N 45 N 45 transitions. In the photon energy range over which the Auger electron angular distributions were measured, theoretical results indicate that transitions into the εf continuum channel dominate the Xe 3d photoionization in XeF 2 . In this limit, the theoretical value of the atomic alignment parameter (A 20 ) characterizing the core ionized state becomes constant. This theoretical value has been used to obtain the Auger electron intrinsic anisotropy parameters (α 2 ) from the β A parameters extracted from our non-resonant Auger spectra. For a particular Auger transition, the electron kinetic energy measured in the resonantly excited spectrum is higher than that in the directly ionized spectrum, due to the screening provided by the electron promoted into the σ* orbital. The interpretation of the F KVV Auger band in XeF 2 has been discussed in relation to previously published one-site populations of the doubly charged ions (XeF 2 2+ ). Here, the experimental results show that the ionization energies of the doubly charged states predominantly populated in the decay of a vacancy in the F 1s orbital in XeF 2 tend to be higher than those populated in the decay of a vacancy in the Xe 4d level in XeF 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Rucio beyond ATLAS: experiences from Belle II, CMS, DUNE, EISCAT3D, LIGO/VIRGO, SKA, XENON

For many scientific projects, data management is an increasingly complicated challenge. The number of data-intensive instruments generating unprecedented volumes of data is growing and their accompanying workflows are becoming more complex. Their storage and computing resources are heterogeneous and are distributed at numerous geographical locations belonging to different administrative domains and organisations. These locations do not necessarily coincide with the places where data is produced nor where data is stored, analysed by researchers, or archived for safe long-term storage. To fulfil these needs, the data management system Rucio has been developed to allow the high-energy physics experiment ATLAS at LHC to manage its large volumes of data in an efficient and scalable way. But ATLAS is not alone, and several diverse scientific projects have started evaluating, adopting, and adapting the Rucio system for their own needs. As the Rucio community has grown, many improvements have been introduced, customisations have been added, and many bugs have been fixed. Additionally, new dataflows have been investigated and operational experiences have been documented. In this article we collect and compare the common successes, pitfalls, and oddities that arose in the evaluation efforts of multiple diverse experiments, and compare them with the ATLAS experience. This includes the high-energy physics experiments Belle II and CMS, the neutrino experiment DUNE, the scattering radar experiment EISCAT3D, the gravitational wave observatories LIGO and VIRGO, the SKA radio telescope, and the dark matter search experiment XENON.

Lassnig, Mario↗
DOE OSTI2020

Charge influence on point defect interactions with xenon bubbles in uranium dioxide

The interaction of xenon (Xe) bubbles with small self-defects in uranium dioxide (UO2) has been studied using molecular statics simulations. The results show that the pressure and size of bubbles have a minimal impact on the heterogeneity of the interaction between a charge neutral Xe bubble and charged point defects, while the local charge distribution around the bubble overwhelmingly determines the interaction strength and critical interaction distance. The charge effect on the interactions between Xe bubbles and defects was further confirmed by assessing the point defect interaction energies with negatively or positively charged Xe bubbles. The Xe density, or pressure, has a much smaller effect on the interaction energy between charged bubbles and small defects at least for low and medium pressure bubbles. The interactions between charged Xe bubbles and point defects basically follow the Coulomb electrostatic interaction law, which is independent of the empirical potentials employed for the Xe–UO2 system in this work.

Yang, L. (ORCID:0000000322166071)↗
DOE OSTI2021

Describing adsorption of benzene, thiophene, and xenon on coinage metals by using the Zaremba–Kohn theory-based model

Semilocal (SL) density functional approximations (DFAs) are widely applied but have limitations due to their inability to incorporate long-range van der Waals (vdW) interaction. Non-local functionals (vdW-DF, VV10, and rVV10) or empirical methods (DFT+D, DFT+vdW, and DFT+MBD) are used with SL-DFAs to account for such missing interaction. The physisorption of a molecule on the surface of the coinage metals (Cu, Ag, and Au) is a typical example of systems where vdW interaction is significant. However, it is difficult to find a general method that reasonably describes both adsorption energy and geometry of even the simple prototypes of cyclic and heterocyclic aromatic molecules such as benzene (C 6 H 6 ) and thiophene (C 4 H 4 S), respectively, with reasonable accuracy. Here, we present an alternative scheme based on Zaremba–Kohn theory, called DFT+vdW-dZK. We show that unlike other popular methods, DFT+vdW-dZK and particularly SCAN+vdW-dZK give an accurate description of the physisorption of a rare-gas atom (xenon) and two small albeit diverse prototype organic molecules on the (111) surfaces of the coinage metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Rarefied xenon flow in orificed hollow cathodes

A parametric study is conducted to quantify the effect of the keeper electrode geometry on the xenon neutral flow quantities within orificed hollow cathodes, prior to ignition. The keeper impinges directly on the flow out of the cathode orifice and its geometry influences the product between the pressure in the orifice–keeper region and the cathode-to-keeper distance. A representative cathode is simulated using the Direct Simulation Monte Carlo method. The numerical model is first validated with computational results from the literature. A parametric study is then conducted. Parameters include the cathode pressure–diameter in the range of 1–5 Torr cm and the following geometric ratios (and ranges): cathode orifice-to-inner radii (0.1–0.7), keeper orifice-to-cathode orifice radii (1–5), and keeper distance-to-cathode-orifice diameter (0.5–10). It is found that, if both keeper and cathode have identical orifice radii, the flow remains subsonic in the orifice-to-keeper region. In most cases, however, the flow becomes underexpanded and supersonic, and the static pressure within the orifice-to-keeper region is, on average, 4% that of the upstream pressure value. The orifice–keeper region pressure increases with either a decrease in the keeper orifice diameter or an increase in the distance between cathode and keeper, in agreement with literature data. Both trends are explained through conservation laws. A statistical study of numerical results reveals that the ratio of ignition-to-nominal mass flow rates has a most probable value of 50, which suggests that heaterless cathode ignition at a minimum DC voltage may be achieved by increasing the input mass flow rate by a factor of 50.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Xenon–metal pair formation in UO 2 investigated using DFT + U

A recent experimental study on a spent uranium dioxide (UO 2 ) fuel sample from Belgium Reactor 3 identified a unique pair structure formed by the noble metal phase (NMP) and fission gas [xenon (Xe)] precipitate. However, the fundamental mechanism behind this structure remains unclear. The present study aims to provide an understanding of the interaction between five different metal precipitates [molybdenum (Mo), ruthenium (Ru), palladium (Pd), technetium (Tc), and rhodium (Rh)] and the Xe fission gas atoms in UO 2 , by using density functional theory (DFT) in combination with the Hubbard U correction to compute the formation energies involved. All DFT + U calculations were performed with occupation matrix control to ensure antiferromagnetic ordering of UO 2 . The calculated formation and binding energies of the Xe and solid fission products in the NMP reveal that these metal precipitates form stable pair structures with Xe. Notably, the formation energy of Xe–metal pairs is lower than that of the isolated single defects in all instances, with Pd and Mo showing the most favorable binding energy, likely accounting for the observed pair structure formation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Titanium alloy response sensitivity to variations in spectral reconstructions of National Ignition Facility xenon line-emission x-ray sources

Thermomechanical shock experiments on the National Ignition Facility (NIF) aim to study high strain rate dynamic material response. In such experiments, the NIF laser is used to generate high fluence x-ray emission sources, which irradiate material samples of interest. Under sufficiently high x-ray energy deposition, thermomechanical impulses are generated in the materials. While it is known that the characteristics of x-ray generated impulses vary as a function of incident x-ray spectra, it remains unclear how spectral assumptions and uncertainties in NIF spectral reconstructions affect our interpretation of impulsive loading. Here, in this paper, we simulate the response of a standard titanium alloy baseline sample to synthetic analytically derived and measured NIF xenon line-emission x-ray sources with a radiation hydrodynamics code. We vary the source spectral characteristics based on different source reconstruction techniques to understand the resulting variation in baseline sample response and compare the simulated response with experimental results. We find that the response is highly sensitive to assumptions made about the spectral contents and that knowledge of spectral uncertainties bounds our understanding of the resulting material response. The results of this effort help to extend our ability to use baseline material samples to extract quantitative properties from x-ray experiments on the NIF.

Alloys↗
DOE OSTI2022

Impact of xenon doping in the scintillation light in a large liquid-argon TPC

The use of xenon-doped liquid argon (Xe-doped LAr) is a promising alternative for large-scale liquid argon Time Projection Chambers (LAr-TPC), since it mitigates the light suppression due to impurities and it also improves the photon-detection efficiency and uniformity with the distance. This study analyses the impact of using Xe-doped LAr in ProtoDUNE Dual-Phase, a 750 ton Dual-Phase LAr-TPC placed at CERN. ProtoDUNE Dual-Phase completed a Xe-doping data-taking campaign in summer 2020 by re-filling the detector with 230 tons of Xe-doped LAr contaminated with nitrogen, and performing dedicated nitrogen injections. The effects of the presence of Xe at 5.8 ppm in the scintillation light production and propagation are analysed in this paper, showing an increase of the collected photons, but a suppression of the light signal amplitude. A 60% increase of the light attenuation length is measured. The impact on the scintillation time profile is also studied. A model to fit the time profile is proposed and the time constants of the physics processes are obtained.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Measurements and models of enhanced recombination following inner-shell vacancies in liquid xenon

Electron-capture decays of 125 Xe and 127 Xe , and double-electron-capture decays of 124 Xe , are backgrounds in searches for weakly interacting massive particles (WIMPs) conducted by dual-phase xenon time projection chambers such as LUX-ZEPLIN (LZ). These decays produce signals with more light and less charge than equivalent-energy 𝛽 decays and correspondingly overlap more with WIMP signals. We measure three electron-capture charge yields in LZ: the 1.1 keV M-shell, 5.2 keV L-shell, and 33.2 keV K-shell at drift fields of 193 and 96.5 V/cm. The LL double-electron-capture decay of 124 Xe exhibits even more pronounced shifts in charge and light. We provide a first model of double-electron-capture charge yields using the link between ionization density and electron-ion recombination, and identify a need for more accurate calculations. Finally, we discuss the implications of the reduced charge yield of these decays and other interactions creating inner-shell vacancies for future dark matter searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Amplified spontaneous emission in the extreme ultraviolet by expanding xenon clusters

Focused short-wavelength free-electron laser (FEL) pulses interacting with gas phase samples can induce by inner-shell ionization a short-lived population inversion, followed by coherent collective emission of directed, short, and strong radiation bursts. We extend our studies into the warm-dense matter (WDM) regime by investigating the nanoplasmas produced in an ensemble of nanometer-sized clusters by FEL irradiation. Here, additional pathways can also lead to strong, laserlike emission: Electron-ion collisions can yield a long-lived population inversion, and subsequent amplified spontaneous emission. We observe amplified spontaneous emission (ASE) in the extreme ultraviolet in xenon clusters excited by soft x-ray FEL pulses, we diagnose the generated nanoplasmas by fluorescence spectroscopy, and we study under various cluster and FEL parameters the directed ASE from the Xe 2+ 65 nm line. We show its exponential increase as a function of FEL irradiation power, and an accompanying collisional broadening of the emission spectra. These findings are corroborated by extensive numerical simulations based on theory, combining detailed hydrodynamic and kinetic simulations with time-dependent calculations of radiation transport, amplification, and collective emission in the WDM nanoplasma. Furthermore, our theoretical findings underline that population inversion is due to electron-ion collisions and that the observed decoherence processes can be empirically characterized by a phenomenological decoherence time in the range of 100–200 fs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Martensitic fcc-hcp transformation pathway in solid krypton and xenon and its effect on their equations of state

The martensitic transformation is a fundamental physical phenomenon at the origin of important industrial applications. However, the underlying microscopic mechanism, which is of critical importance to explain the outstanding mechanical properties of martensitic materials, is still not fully understood. This is because for most martensitic materials the transformation is a fast process that makes in situ studies extremely challenging. Noble solids krypton and xenon undergo a progressive pressure-induced face-centered cubic (fcc) to hexagonal close-packed (hcp) martensitic transition with a very wide coexistence domain. Here, we took advantage of this unique feature to study the detailed transformation progress at the atomic level by employing in situ x-ray diffraction and absorption spectroscopy. We evidenced a four-stage pathway and suggest that the lattice mismatch between the fcc and hcp forms plays a key role in the generation of strain. We also determined precisely the effect of the transformation on the compression behavior of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Measurement of the scintillation and ionization response of liquid xenon at MeV energies in the EXO-200 experiment

In this work, liquid xenon (LXe) is employed in a number of current and future detectors for rare event searches. We use the EXO-200 experimental data to measure the absolute scintillation and ionization yields generated by γ interactions from 228 Th (2615 keV), 226 Ra (1764 keV), and 60 Co (1332 keV and 1173 keV) calibration sources, over a range of electric fields. The W value that defines the recombination-independent energy scale is measured to be 11.5±0.5 (syst.) ±0.1 (stat.) eV. These data are also used to measure the recombination fluctuations in the number of electrons and photons produced by the calibration sources at the MeV scale, which deviate from extrapolations of lower-energy data. Additionally, a semiempirical model for the energy resolution of the detector is developed, which is used to constrain the recombination efficiency, i.e., the fraction of recombined electrons that result in the emission of a detectable photon. Detailed measurements of the absolute charge and light yields for MeV-scale electron recoils are important for predicting the performance of future neutrinoless double β -decay detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Solar neutrino detection in liquid xenon detectors via charged-current scattering to excited states

We investigate the prospects for real-time detection of solar neutrinos via the charged-current neutrino-nucleus scattering process in liquid xenon time projection chambers. We use a nuclear shell model, benchmarked with experimental data, to calculate the cross sections for populating specific excited states of the cesium nuclei produced by neutrino capture on Xe 131 and Xe 136 . The shell model is further used to compute the decay schemes of the low-lying 1 + excited states of Cs 136 , for which there is sparse experimental data. We explore the possibility of tagging the characteristic deexcitation γ rays/conversion electrons using two techniques: spatial separation of their energy deposits using event topology and their time separation using delayed coincidence. The efficiencies in each case are evaluated within a range of realistic detector parameters. We find that the topological signatures are likely to be dominated by radon backgrounds, but that a delayed-coincidence signature from long-lived states predicted in Cs 136 may enable background-free detection of CNO neutrino interactions in next-generation experiments with smaller uncertainty than current measurements. We also estimate the sensitivity as a function of exposure for detecting the solar-temperature-induced line shift in Be 7 neutrino emission, which may provide a new test of solar models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Kiloton-scale xenon detectors for neutrinoless double beta decay and other new physics searches

We report that large detectors employing xenon are a leading technology in existing and planned searches for new physics, including searches for neutrinoless double beta decay (0νββ) and dark matter. While upcoming detectors will employ target masses of a ton or more, further extending gas- or liquid-phase Xe detectors to the kton scale would enable extremely sensitive next-generation searches for rare phenomena. The key challenge to extending this technology to detectors well beyond the ton scale is the acquisition of the Xe itself. We describe the motivation for extending Xe time-projection chambers to the kton scale and possible avenues for Xe acquisition that avoid existing supply chains. If acquisition of Xe in the required quantities is successful, kton-scale detectors of this type could enable a new generation of experiments, including searches for 0νββ at half-life sensitivities as long as 10 30 yr.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Nuclear recoil response of liquid xenon and its impact on solar 8B neutrino and dark matter searches

Knowledge of the ionization and scintillation responses of liquid xenon (LXe) to nuclear recoils is crucial for LXe-based dark matter experiments. Current calibrations carry large uncertainties in the low-energy region below ∼3 keV nr where signals from dark matter particles of <10 GeV/c 2 masses are expected. The coherent elastic neutrino-nucleus scattering (CE ν NS) by solar 8 B neutrinos also results in a continuum of nuclear recoil events below 3.0 keV nr (99% of events), which further complicates low-mass dark matter searches in LXe experiments. In this paper, we describe a method to quantify the uncertainties of low-energy LXe responses using published calibration data, followed by case studies to evaluate the impact of yield uncertainties on 8 B searches and low-mass dark matter sensitivity in a typical ton-scale LXe experiment. We conclude that naively omitting yield uncertainties leads to overly optimistic limits by factor ∼2 for a 6 GeV WIMP mass. Future nuclear recoil light yield calibrations could allow experiments to recover this sensitivity and also improve the accuracy of solar 8 B flux measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗