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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 OSTI2024

Effect of a collapsing gas bubble on the shock-to-detonation transition in liquid nitromethane

We studied the shock-induced collapse of butane gas bubbles in the homogeneous explosive nitromethane (NM) to investigate the effects of hot spot formation on the detonation process. A butane bubble was injected into a sample of NM, and a shock wave from a flat plate impactor compressed the bubble, creating a localized hot spot. We measured shock and detonation wave speeds with optical velocimetry, and we used a high-speed camera to image the shock propagation and bubble collapse processes. A multiband optical fiber pyrometer measured the time-resolved thermal radiance, and we used the results and emissivity values extracted from spectral fits to estimate temperatures. We measured the characteristics of the shock-to-detonation transition in NM with and without a bubble. All experiments were performed at shock pressures near 8 GPa, where neat NM can detonate. A single bubble in this system was shown to sensitize NM, leading to a reduced run-to-detonation time. We used hydrodynamic modeling to predict shock wave propagation, the extent of chemical reaction, and subsequent temperature rise from the collapsing bubble. We used a temperature-dependent Arrhenius burn model for simulations, and it yielded much better results than reactive burn models that depend only on pressure and density.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2005

The Mars Exploration Rover Cameras: A Status Report

With more than 68,000 images returned from the surface of Mars to date, the Mars Exploration Rover (MER) camera suite continues to perform extremely well. Image signal to noise ratios (SNRs) are greater than 200:1, flat fields remain stable, and single-pixel degradation has been negligible. Acting as the eyes of the robotic field geologists, the 18 MER cameras continue to play a leading role in major scientific findings at both Gusez Crater and Meridiana Planum. All 4 types of cameras, the hazard avoidance (Hazcam), navigation (Navcam), the color panoramic (Pancam) and the microscopic imager (MI), continue to return data from the Martian surface from both Rovers. In addition to the rover cameras, each lander utilized a descent imager (DI) to help facilitate safe landing and provide landing site context. The Pancam and MI are part of the scientific instrument payload of the rovers. In addition to gathering gathering science image data, the Pacams also support sun finding and measure atmospheric dust optical depth. The Hazcam and Navcam stereo pairs are used for traverse planning, autonomous navigation and general imaging.

Schwochert, M. A.↗
NASA NTRS2016

In-Situ and Remotely-Sensed Observations of Biomass Burning Aerosols at Doi Ang Khang, Thailand During 7-SEAS BASELInE 2015

The spring 2015 deployment of a suite of instrumentation at Doi Ang Khang (DAK) in northwestern Thailand enabled the characterization of air masses containing smoke aerosols from burning predominantly in Myanmar. Aerosol Robotic Network (AERONET) Sun photometer data were used to validate Moderate Resolution Imaging Spectroradiometer (MODIS) Collection 6 "Deep Blue" aerosol optical depth (AOD) retrievals; MODIS Terra and Aqua provided results of similar quality, with correlation coefficients of 0.93-0.94 and similar agreement within expected uncertainties to global-average performance. Scattering and absorption measurements were used to compare surface and total column aerosol single scatter albedo (SSA); while the two were well-correlated, and showed consistent positive relationships with moisture (increasing SSA through the season as surface relative humidity and total columnar water vapor increased), in situ surface-level SSA was nevertheless significantly lower by 0.12-0.17. This could be related to vertical heterogeneity and/or instrumental issues. DAK is at approximately 1,500 meters above sea level in heterogeneous terrain, and the resulting strong diurnal variability in planetary boundary layer depth above the site leads to high temporal variability in both surface and column measurements, and acts as a controlling factor to the ratio between surface particulate matter (PM) levels and column AOD. In contrast, while some hygroscopic effects were observed relating to aerosol particle size and Angstrom exponent, relative humidity variations appear to be less important for this ratio here. As part of the Seven South-East Asian Studies (7-SEAS) project, the Biomass-burning Aerosols & Stratocumulus Environment: Lifecycles and Interactions Experiment (BASELInE) was intended to probe physicochemical processes, interactions, and feedbacks related to biomass burning aerosols and clouds during the spring burning season (February-April) in southeast Asia (SEA).

biomass burning↗
NASA NTRS2021

State of the Industry: UAS Sensor Review

This report is a follow on from HF Designworks’ 2018 report on state of the present and state of the art sensor technologies as they related to Ground Based Detect and Avoid (GBDAA) systems for Unmanned Aircraft Systems (UAS). In this update, HF Designworks again looks to UAS test sites, manufacturers, vendors, and users to identify the latest sensor technologies covering not just GBDAA, but additional UAS sensor types; including airborne. For this latest report, the following sensor types were reviewed, as well as a few that don’t quite fit within the following categories: Electro-Optical / Infrared (EO/IR), LiDAR, RADAR, Radiofrequency (RF) scanner, Acoustic, and Other. From our interviews and research with various organizations and individuals, we found both interesting new technologies as well as improvements to many technologies first reviewed in 2018. Compared with our 2018 findings, many of the new technologies have helped produce sensors that are smaller, lighter, require less power, and have better range and resolution than those discussed in 2018. However, challenges still exist. There is no single currently available and FAA approved sensor suite that can adequately provide complete detect and avoid capabilities to meet the needs of UAS beyond visual line of sight (BVLOS) in the civilian airspace.

unmanned aircraft systems↗
NASA NTRS1988

An FTIR spectrometer for remote measurements of atmospheric composition

The JPL IV interferometer, and infrared Michelson interferometer, was built specifically for recording high resolution solar absorption spectra from remote ground-based sites, aircraft and from stratospheric balloons. The instrument is double-passed, with one fixed and one moving corner reflector, allowing up to 200-cm of optical path difference (corresponding to an unapodised spectral resolution of 0.003/cm). The carriage which holds the moving reflector is driven by a flexible nut riding on a lead screw. This arrangement, together with the double-passed optical scheme, makes the instrument resistant to the effects of mechanical distortion and shock. The spectral range of the instrument is covered by two liquid nitrogen-cooled detectors: an InSb photodiode is used for the shorter wavelengths (1.85 to 5.5 microns, 1,800 to 5,500/cm) and a HgCdTe photoconductor for the range (5.5 to 15 microns, 650 to 1,800/cm). For a single spectrum of 0.01/cm resolution, which requires a scan time of 105 seconds, the signal/noise ratio is typically 800:1 over the entire wavelength range.

Farmer, C. B.↗
DOE OSTI2023

NCSU Black Carbon (SP2) Data

NCSU SP2 Data Data Level b1: QC checks applied to measurements Data Format: CSV Description: See "instrument description Site: Houston, TX; Tracking Aerosol Convection interactions ExpeRiment (HOU) Location: Houston, TX; AMF1 (main site for TRACER) Facility Code: M1 Category: Aerosol Properties Data Type: PI Data Source Instrument/Data: Single Particle Soot Photometer (SP2) Start Date: 2022-06-01 End Date: 2022-09-27 Contact PI: Markus Petters (mdpetter@ncsu.edu) Funding Source: DOE ASR award US Department of Energy, Office of Science, Biological and Environment Research (grant no. DE-SC 0021074) Instrument description The SP2 was located in the temperature-controlled trailer adjacent to the NCSU Flux Tower to observe refractory black carbon (rBC) number concentration and mixing states of black carbon. The sample line brought aerosol inside the trailer at 4.5 L min-1, where it was distributed between 3 CPCs (TSI 3776c, Dc ~ 2.5 nm, TSI 3771, Dc ~10nm, and TSI 3772, Dc ~40 nm) with different size cuts, a printed particle optical spectrometer (POPS), and SP2. Please contact mdpetter@ncsu.edu for further information.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Phosphate binding protein as the biorecognition element in a biosensor for phosphate

This work explores the potential use of a member of the periplasmic family of binding proteins, the phosphate binding protein (PBP), as the biorecognition element in a sensing scheme for the detection of inorganic phosphate (Pi). The selectivity of this protein originates from its natural role which, in Escherichia coli, is to serve as the initial receptor for the highly specific translocation of Pi to the cytoplasm. The single polypeptide chain of PBP is folded into two similar domains connected by three short peptide linkages that serve as a hinge. The Pi binding site is located deep within the cleft between the two domains. In the presence of the ligand, the two globular domains engulf the former in a hinge-like manner. The resultant conformational change constitutes the basis of the sensor development. A mutant of PBP (MPBP), where an alanine was replaced by a cysteine residue, was prepared by site-directed mutagenesis using the polymerase chain reaction (PCR). The mutant was expressed, from plasmid pSD501, in the periplasmic space of E. coli and purified in a single chromatographic step on a perfusion anion-exchange column. Site-specific labeling was achieved by attaching the fluorophore, N-[2-(1-maleimidyl)ethyl]-7-(diethylamino)coumarin-3-carboxamide (MDCC), to the protein through the sulfhydryl group of the cysteine moiety. Steady-state fluorescence studies of the MPBP-MDCC conjugate showed a change in the intensity of the signal upon addition of Pi. Calibration curves for Pi were constructed by relating the intensity of the fluorescence signal with the amount of analyte present in the sample. The sensing system was first developed and optimized on a spectrofluorometer using ml volumes of sample. It was then adapted to be used on a microtiter plate arrangement with microliter sample volumes. The system's versatility was finally proven by developing a fiber optic fluorescence-based sensor for monitoring Pi. In all three cases the detection limits for the analyte were in the sub-microMolar range. It was also demonstrated that the sensing system was selective for phosphate over other structurally-similar anions, paving the way for the design and development of a new family of biosensors utilizing the specific binding properties of periplasmic proteins. c2003 Elsevier B.V. All rights reserved.

NASA Program Fundamental Space Biology↗
DOE OSTI2022

Determination of single-crystal elastic moduli of Li RE F 4 ( RE =Y, Gd, and Tb) by resonant ultrasound spectroscopy

The tetragonal fluoro-scheelite Li RE F 4 compounds (RE = rare earth) have been shown to exhibit a variety of useful optical and magnetic properties. While LiYF 4 has been widely studied, many of the fundamental thermodynamic properties of other members of this family remain unknown. Here, we report the complete elastic tensors (C ij ) of single-crystalline LiYF 4 , LiTbF 4 , and LiGdF 4 using resonant ultrasound spectroscopy and density functional theory (DFT). Here we compare the results for LiYF 4 with prior experimental results using time-of-flight ultrasound methods. This is the first report, however, of the experimental elastic tensors of LiTbF 4 and LiGdF 4 . The present results point to a softening of the elastic moduli of the Li RE F 4 system when Y is replaced by the larger ionic radius of Tb or Gd. Furthermore, we find that just 0.3% doping with Nd on the Y site also leads to a slight softening of the moduli. The variation of the elastic moduli as a function of temperature up to 216°C was also measured. A nearly linear softening of all seven independent elastic moduli was observed with increasing temperature. Phonon dispersions and phonon density of states obtained by DFT support the experimental finding of a significantly higher sound velocity due to lighter Y atoms in LiYF 4 , as compared to heavier LiTbF 4 and LiGdF 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine Learning-Based Extreme Data Reduction for Prompt Supernova Pointing at DUNE

One of the goals of the Deep Underground Neutrino Experiment (DUNE) is to use the massive underground liquid argon time projection chamber (LArTPC) detectors at its far site for multimessenger astronomy (MMA), in the detection of neutrinos from core-collapse supernovae (SNe). Its current baseline trigger strategy detects activity in the detector that is consistent with supernova (SN) neutrinos and saves the raw data for further offline analysis but provides no prompt pointing information crucial for optical follow-ups by other observatories. This approach is based on the assumption that prompt pointing determination using raw data is computationally prohibitive. In this article, we demonstrate a proof-of-concept based on applying extreme data reduction on the buffered SN data in the DUNE data acquisition (DAQ) system’s front-end computers using a machine learning (ML) workflow. This reduces the data by ~5 orders of magnitude, allowing a full track reconstruction to be carried out quickly on a single server. The total time to perform the ML-based data reduction and the full track reconstruction is less than the time to transfer the SN data back to Fermilab or a high-performance computing (HPC) center. This shows that prompt processing of raw SN data is possible and, in fact, trivial once the data have been reduced to reject radiological backgrounds, paving the way to a high-quality SN pointing trigger that is based on fully reconstructed data instead of trigger primitives (TPs).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Melt-grown semi-insulating Mn:β-Ga 2 O 3 single crystals exhibiting unique visible absorptions and luminescence

In this study, several acceptor dopants have been explored in β-Ga 2 O 3 to produce semi-insulating substrates and epitaxial films. Fe and Mg make up the majority of research thus far; however, other transition metals provide potential alternatives for optimized performance. β-Ga 2 O 3 bulk single crystals were grown by the Czochralski and vertical gradient freeze methods with a nominal dopant concentration of 0.25 at. % Mn. Ultraviolet-visible-near infrared spectroscopy and photoluminescence revealed polarization- and orientation-dependent optical absorptions (pleochroism) coupled with an orange luminescence. All samples were electrically insulating, on the order of 10 9 –10 11 ohm cm at room temperature, indicative of acceptor doping. Actual dopant concentrations of the intentionally doped transition metal and background impurities were determined via glow discharge mass spectrometry, indicating the macroscale segregation behavior. High-temperature resistivity measurements indicated an experimental acceptor level of 1.7 ± 0.2 eV. Hydrogenation of samples resulted in an increase in the orange luminescence and O–H stretching modes observable in the infrared spectrum. Density functional theory calculations were performed to determine the likely site-occupancy and acceptor level of Mn in the bandgap.

36 MATERIALS SCIENCE↗
NASA NTRS1987

The ultraviolet variability of AY Ceti

AY Cet is a single-line binary comprised of a spotted G5 III primary and a white dwarf secondary. A series of UV spectra have been obtained with the IUE satellite on five different dates covering a substantial part of the optical cycle of the primary star. No evidence that the continuum or the Ly-alpha absorption line of the secondary star varied is found. There were significant changes in the strengths of the UV emission lines, but the variations were only weakly correlated with either the orbital phase of the binary or the rotational phase of the primary. The UV emission lines were especially strong near maximum visual brightness at a time when the starspot(s) on the primary was least visible. The enhanced line emission is attributed to a flare event on the primary, most likely at a high-latitude site close to the pole of this star. The UV radiative losses of this flare were comparable with those of flares previously observed on the RC CVn variables Lambda And and HR 1099.

Simon, Theodore↗
NASA NTRS1993

A giant X-ray flare on Lambda Eridani (B2e)

A 30 ks observation with the ROSAT PSPC distributed over 39 hr shows that the putatively single, mild B2e star Lambda Eri emits at most times a soft X-ray flux at a rate and temperature consistent with other B stars. However, during the middle of our observations, this star's X-ray flux increased by a factor of 6 before returning to the basal level. This brightening, due entirely to photon energies of 0.7 keV or greater, can be fitted well to a Raymond-Smith temperature parameter of 14 MK and luminosity 4 x 10 exp 31 ergs/s; these are characteristics of giant stellar flares. With an estimated duration of about 50,000 s, this event is arguably the strongest X-ray flare yet observed. We consider several possible scenarios for the site of the flare, including several with an active cool secondary or degenerate companion. We find that IUE and optical spectra do not support a binary picture and that it is most probable that the flare site is on or related to Lambda Eri itself. This supports other evidence for violent magnetic activity on some B-type stars.

Smith, Myron A.↗
DOE OSTI2022

The Global Atmosphere‐aerosol Model ICON‐A‐HAM2.3–Initial Model Evaluation and Effects of Radiation Balance Tuning on Aerosol Optical Thickness

Abstract The Hamburg Aerosol Module version 2.3 (HAM2.3) from the ECHAM6.3‐HAM2.3 global atmosphere‐aerosol model is coupled to the recently developed icosahedral nonhydrostatic ICON‐A (icon‐aes‐1.3.00) global atmosphere model to yield the new ICON‐A‐HAM2.3 atmosphere‐aerosol model. The ICON‐A and ECHAM6.3 host models use different dynamical cores, parameterizations of vertical mixing due to sub‐grid scale turbulence, and parameter settings for radiation balance tuning. Here, we study the role of the different host models for simulated aerosol optical thickness (AOT) and evaluate impacts of using HAM2.3 and the ECHAM6‐HAM2.3 two‐moment cloud microphysics scheme on several meteorological variables. Sensitivity runs show that a positive AOT bias over the subtropical oceans is remedied in ICON‐A‐HAM2.3 because of a different default setting of a parameter in the moist convection parameterization of the host models. The global mean AOT is biased low compared to MODIS satellite instrument retrievals in ICON‐A‐HAM2.3 and ECHAM6.3‐HAM2.3, but the bias is larger in ICON‐A‐HAM2.3 because negative AOT biases over the Amazon, the African rain forest, and the northern Indian Ocean are no longer compensated by high biases over the sub‐tropical oceans. ICON‐A‐HAM2.3 shows a moderate improvement with respect to AOT observations at AERONET sites. A multivariable bias score combining biases of several meteorological variables into a single number is larger in ICON‐A‐HAM2.3 compared to standard ICON‐A and standard ECHAM6.3. In the tropics, this multivariable bias is of similar magnitude in ICON‐A‐HAM2.3 and in ECHAM6.3‐HAM2.3. In the extra‐tropics, a smaller multivariable bias is found for ICON‐A‐HAM2.3 than for ECHAM6.3‐HAM2.3.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Column Aerosol Optical Properties and Aerosol Radiative Forcing During a Serious Haze-Fog Month over North China Plain in 2013 Based on Ground-Based Sunphotometer Measurements

In January 2013, North China Plain experienced several serious haze events. Cimel sunphotometer measurements at seven sites over rural, suburban and urban regions of North China Plain from 1 to 30 January 2013 were used to further our understanding of spatial-temporal variation of aerosol optical parameters and aerosol radiative forcing (ARF). It was found that Aerosol Optical Depth at 500 nm (AOD500nm) during non-pollution periods at all stations was lower than 0.30 and increased significantly to greater than 1.00 as pollution events developed. The Angstrom exponent (Alpha) was larger than 0.80 for all stations most of the time. AOD500nm averages increased from north to south during both polluted and non-polluted periods on the three urban sites in Beijing. The fine mode AOD during pollution periods is about a factor of 2.5 times larger than that during the non-pollution period at urban sites but a factor of 5.0 at suburban and rural sites. The fine mode fraction of AOD675nm was higher than 80% for all sites during January 2013. The absorption AOD675nm at rural sites was only about 0.01 during pollution periods, while 0.03-0.07 and 0.01-0.03 during pollution and non-pollution periods at other sites, respectively. Single scattering albedo varied between 0.87 and 0.95 during January 2013 over North China Plain. The size distribution showed an obvious tri-peak pattern during the most serious period. The fine mode effective radius in the pollution period was about 0.01-0.08 microns larger than during nonpollution periods, while the coarse mode radius in pollution periods was about 0.06-0.38 microns less than that during nonpollution periods. The total, fine and coarse mode particle volumes varied by about 0.06-0.34 cu microns, 0.03-0.23 cu microns, and 0.03-0.10 cu microns, respectively, throughout January 2013. During the most intense period (1-16 January), ARF at the surface exceeded −50W/sq m, −180W/sq m, and −200W/sq m at rural, suburban, and urban sites, respectively. The ARF readings at the top of the atmosphere were approximately −30W/sq m in rural and −40-60W/sq m in urban areas.

Atmosphere↗
NASA NTRS2020

The AERONET Version 3 Aerosol Retrieval Algorithm, Associated Uncertainties and Comparisons to Version 2

The Aerosol Robotic Network (AERONET) Version 3 (V3) aerosol retrieval algorithm is described, which is based on the Version 2 (V2) algorithm with numerous updates. Comparisons of V3 aerosol retrievals to those of V2 are presented, along with a new approach to estimate uncertainties in many of the retrieved aerosol parameters. Changes in the V3 aerosol retrieval algorithm include (1) a new polarized radiative transfer code (RTC), which replaced the scalar RTC of V2, (2) detailed characterization of gas absorption by adding NO2 and H2O to specify total gas absorption in the atmospheric column, specification of vertical profiles of all the atmospheric species, (3) new bidirectional reflectance distribution function (BRDF) parameters for land sites adopted from the MODIS BRDF/Albedo product, (4) a new version of the extraterrestrial solar flux spectrum, and (5) a new temperature correction procedure of both direct Sun and sky radiance measurements. The potential effect of each change in V3 on single scattering albedo (SSA) retrievals was analyzed. The operational almucantar retrievals of V2 versus V3 were compared for four AERONET sites: GSFC, Mezaira, Mongu, and Kanpur. Analysis showed very good agreement in retrieved parameters of the size distributions. Comparisons of SSA retrievals for dust aerosols (Mezaira) showed a good agreement in 440 nm SSA, while for longer wavelengths V3 SSAs are systematically higher than those of V2, with the largest mean difference at 675 nm due to cumulative effects of both extraterrestrial solar flux and BRDF changes. For non-dust aerosols, the largest SSA deviation is at 675 nm due to differences in extraterrestrial solar flux spectrums used in each version. Further, the SSA 675 nm mean differences are very different for weakly (GSFC) and strongly (Mongu) absorbing aerosols, which is explained by the lower sensitivity to a bias in aerosol scattering optical depth by less absorbing aerosols. A new hybrid (HYB) sky radiance measurement scan is introduced and discussed. The HYB combines features of scans in two different planes to maximize the range of scattering angles and achieve scan symmetry, thereby allowing for cloud screening and spatial averaging, which is an advantage over the principal plane scan that lacks robust symmetry. We show that due to an extended range of scattering angles, HYB SSA retrievals for dust aerosols exhibit smaller variability with solar zenith angles (SZAs) than those of almucantar (ALM), which allows extension of HYB SSA retrievals to SZAs less than 50∘ to as small as 25∘. The comparison of SSA retrievals from closely time-matched HYB and ALM scans in the 50 to 75∘ SZA range showed good agreement with the differences below ∼0.005. We also present an approach to estimate retrieval uncertainties which utilizes the variability in retrieved parameters generated by perturbing both measurements and auxiliary input parameters as a proxy for retrieval uncertainty. The perturbations in measurements and auxiliary inputs are assumed as estimated biases in aerosol optical depth (AOD), radiometric calibration of sky radiances combined with solar spectral irradiance, and surface reflectance. For each set of Level 2 Sun/sky radiometer observations, 27 inputs corresponding to 27 combinations of biases were produced and separately inverted to generate the following statistics of the inversion results: average, standard deviation, minimum and maximum values. From these statistics, standard deviation (labeled U27) is used as a proxy for estimated uncertainty, and a lookup table (LUT) approach was implemented to reduce the computational time. The U27 climatological LUT was generated from the entire AERONET almucantar (1993–2018) and hybrid (2014–2018) scan databases by binning U27s in AOD (440 nm), Angström exponent (AE, 440–870 nm), and SSA (440, 675, 870, 1020 nm). Using this LUT approach, the uncertainty estimates U27 for each individual V3 Level 2 retrieval can be obtained by interpolation using the corresponding measured and inverted combination of AOD, AE, and SSA.

Aliaksandr Siniuk↗
DOE OSTI2020

Many‐body response of benzene at monolayer MoS 2 : Van der Waals interactions and spectral broadening

Abstract Models of surface enhancement of molecular electronic response properties are challenging for two reasons: (a) molecule‐surface interactions require a simultaneous solution of the molecular and the surface dynamic response (a daunting task), and (b) when solving for the electronic structure of the combined molecule + surface system, it is not trivial to single out the particular physical effects responsible for enhancement. To tackle this problem, in this work, we apply a formally exact decomposition of the system's response function into subsystem contributions by using subsystem density functional theory (DFT), which grants access to dynamic polarizabilities and optical spectra. In order to access information about the interactions between the subsystems, we extend a previously developed subsystem‐based adiabatic connection fluctuation‐dissipation theorem of DFT to separate the additive from the nonadditive correlation energy and identify the nonadditive correlation as the van der Waals interactions. As an example, we choose benzene adsorbed on monolayer MoS 2 . We isolate the contributions to benzene's dynamic response arising from the interaction with the surface, and for the first time, we evaluate the enhancements to the effectiveness of C 6 coefficients as a function of benzene‐MoS 2 distance and adsorption site. We also quantify the spectral broadening of the benzene's electronic excited states due to their interaction with the surface. We find that the broadening has a similar decay law with the molecule‐surface distance as the leading van der Waals interactions (ie, R −6 ) and that the surface enhancement of dispersion interactions between benzene molecules is less than 5% but is still large enough (0.5 kcal/mol) to likely play a role in the prediction of interface morphologies.

Umerbekova, Alina↗
DOE OSTI2025

Singly occupied 4⁢𝑓 antiferromagnetic insulators: CePO 4 and CeVO 4

Rare-earth containing wide band gap oxides, which provide spin-photon interface and narrow linewidth optical emission, are getting significant attention as the most promising candidate materials in advancing quantum transduction and memories. Here, in this work, from ab initio calculations, we identify antiferromagnetic ground states in structurally preferred monoclinic CePO 4 and tetragonal CeVO 4 exhibiting localized occupied and unoccupied Ce 4⁢𝑓 states with 4⁢𝑓−4⁢𝑓 transition characteristics. Interestingly, in CePO 4 , O 2⁢𝑝 and P 3⁢𝑝 states hybridize negligibly with Ce 4⁢𝑓 states, while in CeVO 4 , V 3⁢𝑑 and O 2⁢𝑝 states hybridize and appear as extended states in between the occupied and unoccupied Ce 4⁢𝑓 states. Here, phonon calculations and analysis identify and differentiate Raman active phonon modes along with the spin phonon coupling of Ce in both CePO 4 and CeVO 4 that ultimately lead to different 4⁢𝑓 ground-state crystal-field multiplets, which are critical to accurately describe electronic transitions for foundational quantum transduction and memories. Further, the identified 𝐶 1 site symmetry of Ce, lacking inversion symmetry in CePO 4 , is relevant for quantum memories and 𝐷 2⁢𝑑 site symmetry of Ce exhibiting inversion symmetry in CeVO 4 is relevant for quantum transduction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2000

Lunar Dust Contamination Effects on Lunar Base Thermal Control Systems

Many studies have been conducted to develop a thermal control system that can operate under the extreme thermal environments found on the lunar surface. While these proposed heat rejection systems use different methods to reject heat, each system contains a similar component, a thermal radiator system. These studies have always considered pristine thermal control system components and have overlooked the possible deleterious effects of lunar dust contamination. Since lunar dust has a high emissivity and absorptivity (greater than 0.9) and is opaque, dust accumulation on a surface should radically alter its optical properties and therefore alter its thermal response compared to ideal conditions. In addition, the non-specular nature of the dust particles will alter the performance of systems that employ specular surfaces to enhance heat rejection. To date, few studies have examined the effect of dust deposition on the normal control system components. These studies only focused on a single heat rejection or photovoltaic system. These studies did show that lunar dust accumulations alter the optical properties of any lunar base hardware, which in turn affects component temperatures, and heat rejection. Therefore, a new study was conducted to determine the effect of lunar dust contamination on heat rejection systems. For this study, a previously developed dust deposition model was incorporated into the Thermal Synthesizer System (TSS) model. This modeling scheme incorporates the original method of predicting dust accumulation due to vehicle landings by assuming that the thin dust layer can be treated as a semitransparent surface slightly above and in thermal contact with the pristine surface. The results of this study showed that even small amounts of dust deposits can radically alter the performance of the heat rejection systems. Furthermore. this study indicates that heat rejection systems be either located far from any landing sites or be protected from dust producing mechanisms.

Keller, John R.↗