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NASA NTRS2017

The Effectiveness of Shrouding on Reducing Meshed Spur Gear Power Loss Test Results

Gearbox efficiency is reduced at high rotational speeds due to windage drag and viscous effects on rotating, meshed gear components. A goal of NASA aeronautics rotorcraft research is aimed at propulsion technologies that improve efficiency while minimizing vehicle weight. Specifically, reducing power losses to rotorcraft gearboxes would allow gains in areas such as vehicle payload, range, mission type, and fuel consumption. To that end, a gear windage rig has been commissioned at NASA Glenn Research Center to measure windage drag on gears and to test methodologies to mitigate windage power losses. One method used in rotorcraft gearbox design attempts to reduce gear windage power loss by utilizing close clearance walls to enclose the gears in both the axial and radial directions. The close clearance shrouds result in reduced drag on the gear teeth and reduced power loss. For meshed spur gears, the shrouding takes the form of metal side plates and circumferential metal sectors. Variably positioned axial and radial shrouds are incorporated in the NASA rig to study the effect of shroud clearance on gearbox power loss. A number of researchers have given experimental and analytical results for single spur gears, with and without shrouding. Shrouded meshed spur gear test results are sparse in the literature. Windage tests were run at NASA Glenn using meshed spur gears at four shroud configurations: unshrouded, shrouded (max. axial, max. radial), and two intermediate shrouding conditions. Results are compared to available meshed spur gear power loss data analyses as well as single spur gear data analyses.

windage↗

NASA NTRS2017

Autonomous Acquisition of Science Quality Spectra from Unmanned Aerial Systems

This is a presentation on a technique for using Unmanned Aerial Systems with intelligent sensing to create science quality data. In this particular case, the team used two spectrometers with high spectral resolution and developed a technique to have the spectrometers self calibrate so that it is possible to take the measurements within the allocated 10 minute flight times. Because there is both upwelling and downwelling foreoptics on each of the two spectrometers, it becomes slow to set the calibration up for all four possibilities which relates to the integration time and then take the measurements. If light conditions change too rapidly then the measurements won't be scaled so that the spectra max is at least 85% of the instrument max but not saturated. This process was more difficult then it appeared due to the complexity of determining the integration time before light conditions changed and before the battery runs our of charge to fly the Unmanned Aerial System. This presentation goes over the results for the first few flight days and the planned future flight experiments.

Mandl, Daniel↗

NASA NTRS2017

Greased Lightning (GL-10) Performance Flight Research: Flight Data Report

Modern aircraft design methods have produced acceptable designs for large conventional aircraft performance. With revolutionary electronic propulsion technologies fueled by the growth in the small UAS (Unmanned Aerial Systems) industry, these same prediction models are being applied to new smaller, and experimental design concepts requiring a VTOL (Vertical Take Off and Landing) capability for ODM (On Demand Mobility). A 50% sub-scale GL-10 flight model was built and tested to demonstrate the transition from hover to forward flight utilizing DEP (Distributed Electric Propulsion)[1][2]. In 2016 plans were put in place to conduct performance flight testing on the 50% sub-scale GL-10 flight model to support a NASA project called DELIVER (Design Environment for Novel Vertical Lift Vehicles). DELIVER was investigating the feasibility of including smaller and more experimental aircraft configurations into a NASA design tool called NDARC (NASA Design and Analysis of Rotorcraft)[3]. This report covers the performance flight data collected during flight testing of the GL-10 50% sub-scale flight model conducted at Beaver Dam Airpark, VA. Overall the flight test data provides great insight into how well our existing conceptual design tools predict the performance of small scale experimental DEP concepts. Low fidelity conceptual design tools estimated the (L/D)( sub max)of the GL-10 50% sub-scale flight model to be 16. Experimentally measured (L/D)( sub max) for the GL-10 50% scale flight model was 7.2. The aerodynamic performance predicted versus measured highlights the complexity of wing and nacelle interactions which is not currently accounted for in existing low fidelity tools.

McSwain, Robert G.↗

NASA NTRS2017

Daily Ambient Air Pollution Metrics for Five Cities: Evaluation of Data Fusion-Based Estimates and Uncertainties

Spatiotemporal characterization of ambient air pollutant concentrations is increasingly relying on the combination of observations and air quality models to provide well-constrained, spatially and temporally complete pollutant concentration fields. Air quality models, in particular, are attractive, as they characterize the emissions, meteorological, and physiochemical process linkages explicitly while providing continuous spatial structure. However, such modeling is computationally intensive and has biases. The limitations of spatially sparse and temporally incomplete observations can be overcome by blending the data with estimates from a physically and chemically coherent model, driven by emissions and meteorological inputs. We recently developed a data fusion method that blends ambient ground observations and chemical transport-modeled (CTM) data to estimate daily, spatially resolved pollutant concentrations and associatedcorrelations. In this study, we assess the ability of the data fusion method to produce daily metrics (i.e., 1-hr max, 8-hr max, and 24-hr average) of ambient air pollution that capture spatiotemporal air pollution trends for 12 pollutants (CO, NO2, NOx, O3, SO2, PM (sub10), PM (sub 2.5), and five PM (sub 2.5) components) across five metropolitan areas (Atlanta, Birmingham, Dallas, Pittsburgh, and St. Louis), from 2002 to 2008. Three sets of comparisons are performed: (1) the CTM concentrations are evaluated for each pollutant and metropolitan domain, (2) the data fusion concentrations are compared with the monitor data, (3) a comprehensive cross-validation analysis against observed data evaluates the quality of the data fusion model simulations across multiple metropolitan domains. The resulting daily spatial field estimates of air pollutant concentrations and uncertainties are not only consistent with observations, emissions, andmeteorology, but substantially improve CTM-derived results for nearly all pollutants and all cities, with the exception of NO2 for Birmingham. The greatest improvements occur for O3 and PM (sub 2.5). Squared spatiotemporal correlation coefficients range between simulations and observations determined using cross-validation across all cities for air pollutants of secondary and mixed origins are R-squared equal to 0.88-0.93 (O3), 0.81-0.89 (SO4), 0.67-0.83 (PM (sub 2.5)), 0.52-0.72 (NO3), 0.43-0.80 (NH4), 0.32-0.51 (OC), and 0.14-0.71 (PM (sub 10)). Results for relatively homogeneous pollutants of secondary origin, tend to be better than those for more spatially heterogeneous (larger spatial gradients) pollutants of primary origin (NOx, CO, SO2 and EC). Generally, background concentrations and spatial concentration gradients reflect interurban airshed complexity and the effects of regional transport, whereas daily spatial pattern variability shows intra urban consistency in the fused data. With sufficiently high CTM spatial resolution, traffic-related pollutants exhibit gradual concentration gradients that peak toward the urban centers. Ambient pollutant concentration uncertainty estimates for the fused data are both more accurate and smaller than those for either the observations or the model simulations alone.

spatiotemporal fusion↗

NASA NTRS2017

2004 TT357: A Potential Contact Binary in the Trans-Neptunian Belt

We report photometric observations of the trans-Neptunian object 2004 TT(sub 357) obtained in 2015 and 2017 using the 4.3 m Lowell's Discovery Channel Telescope. We derive a rotational period of 7.79 +/- 0.01 hr and a peak-to-peak lightcurve amplitude of 0.76 +/- 0.03 mag. 2004 TT(sub 357) displays a large variability that can be explained by a very elongated single object or can be due to a contact/close binary. The most likely scenario is that 2004 TT(sub 357) is a contact binary. If it is in hydrostatic equilibrium, we find that the lightcurve can be explained by a system with a mass ratio q(sub min) = 0.45 +/- 0.05, and a density of p(sub min) = 2 g/cu.cm, or less likely a system with q(sub max) = 0.8 +/- 0.05, and ρ(sub max) = 5 g/cu.cm. Considering a single triaxial ellipsoid in hydrostatic equilibrium, we derive a lower limit to the density of 0.78 g/cu.cm, and an elongation (a/b) of 2.01 assuming an equatorial view. From Hubble Space Telescope data, we report no resolved companion orbiting 2004 TT(sub 357). Despite an expected high fraction of contact binaries in the trans-Neptunian belt, 2001 QG(sub 298) is the unique confirmed contact binary in the trans- Neptunian belt, and 2004 TT(sub 357) is only the second candidate to this class of systems, with 2003 SQ(sub 317).

Thirouin, Audrey↗

NASA NTRS2019

Assimilation of Satellite Soil Moisture for Improved Atmospheric Reanalyses

A newly developed, weakly coupled land and atmosphere data assimilation system for NASA’s Global Earth Observing System model is presented, and used to demonstrate the benefit of assimilating satellite soil moisture into an atmospheric reanalysis. Specifically, Advanced Scatterometer and Soil Moisture Ocean Salinity soil moisture retrievals are assimilated into a system that uses the same model, atmospheric assimilation system, and atmospheric observations as the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2). The atmosphere is sensitive to soil moisture only under certain conditions. Hence, while the globally averaged model improvements were small, regionally, the soil moisture assimilation induced some substantial improvements. For example, in a large region spanning from western Europe across southern Russia, the soil moisture assimilation decreased the RMSE against independent station observations of daily maximum 2-m temperature (T(sup 2m, sub max)) by up to 0.4 K, and of 2-m specific humidity (q(exp 2m)) by up to 0.5 g/kg. Over all available stations, the mean T(sup 2m, sub max) RMSE was reduced from 2.82 to 2.79 K, while the mean q(exp 2m) RMSE was reduced from 1.25 to 1.20 g/kg. The soil moisture assimilation also reduced the mean RMSE across 29 flux tower sites from 34.2 to 32.6 Wm(exp −2) for latent heating, and from 37.7 to 36.5 Wm(exp −2) for sensible heating. For all variables evaluated, the soil moisture assimilation improved the model at monthly to seasonal, rather than daily, time scales. Based on the above experiments, it is recommended that satellite soil moisture be assimilated into future reanalyses, including the follow-on to MERRA-2.

Clara Draper↗

NASA NTRS2020

Mechanisms Associated with Daytime and Nighttime Heat Waves over the United States

Heat waves are extreme climate events that have the potential to cause immense stress on human health, agriculture and energy systems, so understanding the processes leading to their onset is crucial. There is no single accepted definition for heat waves, but they are generally described as a sustained amount of time where temperature exceeds a local threshold. Multiple different temperature variables are potentially relevant, as high values of daily maximum (T(max)) and minimum (T(min)) temperatures can both be detrimental to human health. Previous studies have concluded that the frequency of global heat waves has increased over recent decades, with greater increases in T(min)- than T(max)-heat waves in several regions. In this study, we focus explicitly on the different mechanisms associated with heatwaves manifest during daytime versus nighttime hours over the United States. Heat waves are examined using the National Aeronautics and Space Administration (NASA) Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2). A daytime (nighttime) heat wave is defined as average daytime (nighttime) temperature exceeding its calendar day 90th percentile for at least 3 days. Over 1980-2018, the number of heat wave days per summer has increased over much of the United States. Trends are stronger for nighttime versus daytime heat wave frequency over the Northeast, Midwest and Southwest United States. Local and remote processes linked with daytime and nighttime heat waves are identified through composite analysis of clouds, precipitation, soil moisture, and fluxes of heat and moisture. Finally, we characterize the large-scale atmospheric circulation associated with daytime and nighttime heat waves over different regions of the United States.

Thomas, N.↗

NASA NTRS2021

Assimilation of SMAP Brightness Temperature Observations in the GEOS Land–Atmosphere Data Assimilation System

Errors in soil moisture adversely impact the modeling of land–atmosphere water and energy fluxes and, consequently, near-surface atmospheric conditions in atmospheric data assimilation systems (ADAS). To mitigate such errors, a land surface analysis is included in many such systems, although not yet in the currently operational NASA Goddard Earth Observing System (GEOS) ADAS. This article investigates the assimilation of L-band brightness temperature (Tb) observations from the Soil Moisture Active Passive (SMAP) mission in the GEOS weakly coupled land–atmosphere data assimilation system (LADAS) during boreal summer 2017. The SMAP Tb analysis improves the correlation of LADAS surface and root-zone soil moisture versus in situ measurements by ∼0.1–0.26 over that of ADAS estimates; the unbiased root-mean-square error of LADAS soil moisture is reduced by 0.002–0.008 m^3 /m^3 from that of ADAS. Furthermore, the global land average RMSE versus in situ measurements of screen-level air specific humidity (q2m) and daily maximum temperature (T2m_max ) is reduced by 0.05 g/kg and 0.04 K, respectively, for LADAS compared to ADAS estimates. Regionally, the RMSE of LADAS q2m and T2m_max is improved by up to 0.4 g/kg and 0.3 K, respectively. Improvement in LADAS specific humidity extends into the lower troposphere (below ∼700 mb), with relative improvements in bias of 15–25%, although LADAS air temperature bias slightly increases relative to that of ADAS. Finally, the root mean square of the LADAS Tb observation-minus-forecast residuals is smaller by up to ∼0.1 K than in a land-only assimilation system, corroborating the positive impact of the Tb analysis on the modeled land–atmosphere coupling.

microwave remote sensing↗

NASA NTRSDate not supplied

Growth Curve Parameterization of Metabolic Activity of Yeast Cells for BioSentinel

The goal of the BioSentinel small satellite payload is to measure the effect of deep space radiation on the growth and metabolic activity of yeast cells. Raw test data is generated by fluidics cards containing yeast cells rehydrated at different periods, with metabolic activity measured by the reduction of alamarBlue. Each card well has a sensor array that measures the amount of red, green, and infrared light transmitted through the yeast culture. This illumination data is then converted to absorbance values, which are further converted into concentrations. The ultimate objective is to convert these concentrations into biologically-relevant metrics that can be compared against one another to determine changes due to differential radiation exposure. Beginning with IR absorbance data (corresponding to cell density) from ground studies, three parameters from a sigmoidal growth curve were extracted and analyzed: 𝜆 (lag phase), 𝜇 (max growth rate), and A (max cell growth). The data was fit to the Gompertz model of microbial growth using non-linear regression (Minitab), as the fit error was reduced compared to the simpler logistic growth curve. Graphs showed that the data contained a discrepancy (drift) in the lag phase that is attributable to a slow, constant loss of moisture. Correcting this discrepancy by fitting the first 25 hours of the data to a power function and subtracting these values from the absorbance readings obtained a better statistical fit to the growth curve in the lag phase. A power fit was selected over a linear fit because it reflected the effects of constant volume loss. This correction to the BioSentinel data analysis pipeline will enable quantitative statistical analysis of the effect of different levels of deep space radiation on yeast cells. Future work includes automation of drift correction and curve modeling to extract these parameters directly from data.

Growth Curve↗

NASA NTRS2022

Astronaut Kinematics and Injury Risk for Piloted Lunar Landings and Launches While Standing

During future lunar missions, astronauts may be required to pilot vehicles while standing, and the associated kinematic and injury response is not well understood. In this study we used human body modeling to predict unsuited astronaut kinematics and injury risk for piloted lunar launches and landings in the standing posture. Three pulses (2-5 g; 10–150 ms rise times) were applied in 10 directions (vertical; ± 10-degree offsets) for a total of 30 simulations. Across all simulations, motion envelopes were computed to quantify displacement of the astronaut’s head (max 9.0 cm forward, 7.0 cm backward, 2.1 cm upward, 7.3 cm downward, 2.4 cm lateral) and arms (max 25 cm forward, 35 cm backward, 15 cm upward, 20 cm downward, 20 cm lateral). All head, neck, lumbar, and lower extremity injury metrics were within NASA’s tolerance limits, except tibia compression forces (0–1543 N upper tibia; 0–1482 N lower tibia; tolerance—1350 N) and revised tibia index (0.04–0.58 upper tibia; 0.03–0.48 lower tibia; tolerance—0.43) for the 2.7 g/150 ms pulse. Pulse magnitude and duration contributed over 80% to the injury metric values, whereas loading direction contributed less than 3%. Overall, these simulations suggest piloting a lunar lander vehicle in the standing posture presents a low risk of injury to the astronaut, although risk of tibia injury is potentially outside NASA’s acceptance limits and warrants further investigation.

Mitesh Lalwala↗

NASA NTRS2021

Streaming Instability with Multiple Dust Species – II. Turbulence and Dust–Gas Dynamics at Non-Linear Saturation

The streaming instability is a fundamental process that can drive dust–gas dynamics and ultimately planetesimal formation inprotoplanetary discs. As a linear instability, it has been shown that its growth with a distribution of dust sizes can be classifiedinto two distinct regimes, fast- and slow-growth, depending on the dust-size distribution and the total dust-to-gas density ratio. Using numerical simulations of an unstratified disc, we bring three cases in different regimes into non-linear saturation. Wefind that the saturation states of the two fast-growth cases are similar to its single-species counterparts. The one with maximumdimensionless stopping timeτs,max=0.1 and=2 drives turbulent vertical dust–gas vortices, while the other withτs,max=2and=0.2 leads to radial traffic jams and filamentary structures of dust particles. The dust density distribution for the former isflat in low densities, while the one for the latter has a low-end cut-off. By contrast, the one slow-growth case results in a virtuallyquiescent state. Moreover, we find that in the fast-growth regime, significant dust segregation by size occurs, with large particlesmoving towards dense regions while small particles remain in the diffuse regions, and the mean radial drift of each dust speciesis appreciably altered from the (initial) drag-force equilibrium. The former effect may skew the spectral index derived frommultiwavelength observations and change the initial size distribution of a pebble cloud for planetesimal formation. The latteralong with turbulent diffusion may influence the radial transport and mixing of solid materials in young protoplanetary discs.

Chao-chin Yang↗

NASA NTRSDate not supplied

A Hybrid RANS-LES Perspective for the High Lift Common Research Model Using LAVA

An assessment of a Hybrid RANS/LES (HRLES) approach for𝐶𝐿,max prediction is presented for the NASA High-Lift Common Research Model (CRM-HL). Both the free air and the wind tunnel configuration of the CRM-HL are investigated and the results are compared to the QinetiQ wind tunnel experiments and to two other numerical approaches: Reynolds Averaged Navier-Stokes (RANS) and Wall-Modeled Large Eddy Simulations (WMLES). For the free-air configuration, HRLES was shown to address some of the known shortcomings in RANS methods and prevent inboard and outboard flow separation particularly in the region of𝐶𝐿,max and post-stall. To achieve these improvements over RANS, LES-appropriate grids and numerical discretizations are required. HRLES predicts a weak pitch break at the highest angle-of-attack due to onset of wing-root corner flow separation whereas the free-air corrected experiment values indicate an occurrence of a much stronger pitch break. The improvements of HRLES over a URANS approach has been objectively shown by computing a set of solutions with the same grid, same numerics and time-step size and comparing the solutions. It was also found that when applying HRLES to a RANS best practice grid and numerics that the HRLES method significantly under performed RANS. For the in tunnel configuration, HRLES showed good agreement with the loads, surface pressure and oil-flow photographs obtained in the experiment. HRLES was able to improve upon the RANS simulations, which showed a sharp loss of lift at the two highest angles-of-attack due to large scale inboard and outboard separation on the wing, by correctly predicting the corner flow separation and showing remarkably close agreement in the flow topologies with the experiment.

TTT↗

NASA NTRSDate not supplied

INFLUENCE OF ACTN3 GENE ON MUSCLE HEALTH AND PHYSICAL FITNESS TO INFORM FUTURE INTERVENTIONS IN SPACEFLIGHT MISSIONS

INTRODUCTION: Exposure to reduced gravity environments leads to diminished muscle size, strength, and endurance. Preservation of physical fitness is critical for mission essential tasks such as extravehicular activities or adaptation to changes in gravity loads. Current countermeasures to maintain ISS astronauts’ muscle mass and fitness include dedicated time for a combination of cardiovascular exercise and resistance training. Countermeasure effectiveness is monitored through VO2 max and isometric mid-thigh pulls. It is important to understand both environmental and genetic contributors to astronaut physical fitness. Multiple genes, including ACTN3, are known to correlate with exercise phenotypes and have the potential to help personalize countermeasures based on an astronaut’s genotypic makeup. TOPIC: The ACTN3 gene encodes a protein expressed only in fast-twitch muscles and correlates with sprint and power phenotypes. A common polymorphism in ACTN3 gene is R577X (rs1815739), produced by a C−to−T base substitution resulting in a nonsense mutation from arginine (R) to a premature stop codon (X) present in approximately 18% of the population. This polymorphism causes an absence of α−actinin−3 in type II muscle fibers but does not lead to a disease phenotype. The RR genotype is associated with elite athletes, especially in sprint and power sports. The XX genotype is believed to be more common in endurance athletes. The ACTN3 gene also has potential associations with training adaptation, post-exercise recovery, and exercise-associated injuries. APPLICATION: Understanding how ACTN3 and other genetic determinates of fitness phenotypes affect astronaut physical performance can inform personalized exercise and recovery prescriptions. For example, individuals with the RR or RX genotype may respond better to high-load and low repetition exercise, while XX may benefit from high repetition with low weight exercise. Since the wild-type protein may confer more resistance to muscle damage, those individuals with the RR or RX genotype may benefit from high intensity interval training for improved VO2 max, whereas those with an XX genotype may benefit from low intensity, high volume endurance activity. Additionally, omics data related to health and performance could be used as biomarkers to monitor astronaut fitness and the effectiveness of training regimens during a mission. Learning objectives: • Learn about the phenotypic effects on muscle function and fitness secondary to R577X mutation in the ACTN3 gene • Learn how mutations in the ACTN3 gene may inform future countermeasures for future spaceflight missions

Lynn K Stanwyck↗

NASA NTRSDate not supplied

Traffic Flow Analysis for Package Delivery Drones using a Queueing Model

A key component of the small unmanned aircraft systems traffic management ecosystem is the design of scalable algorithms for strategic deconfliction of drones prior to takeoff. In this work, we focus on efficient flow management of drones on a network of intersecting edges subject to two kinds of spacing constraints: 1) between any two adjacent vehicles on an edge and 2) between any two vehicles on two different edges arriving one after the other at an intersection. The spacing is designed to enable non-intersection of operational volumes corresponding to two different vehicles thereby properly separating the vehicles inside each volume. For simplicity, we assume a constant ground speed for the drones and fixed dimensions for the operational volume blocks. The deconfliction is managed by adjusting the takeoff time of the drones, thereby regulating their arrival time at various crossing waypoints in the network. This framework allows us to study the maximum flow (throughput) of vehicles on a network of edges connecting depots to drop off sites subject to the temporal spacing constraints. The departure scheduling of individual drones results in a combinatorial optimization problem. To alleviate this, we solve a max-flow formulation and use queueing theory to simplify the analysis and provide upper bounds to the underlying optimization problem for individual drone departure scheduling. Our results indicate that throughput drops rapidly after the density of drones in the network passes the max-flow limits.

Alexey A Munishkin↗

NASA NTRS2024

Considerations in Range of Motion Testing for Characterizing Spacesuit Mobility Capabilities

Mobility is a critical aspect for spacesuits as it directly influences how astronauts can perform tasks safely and efficiently, while wearing the pressurized suit. Spacesuit motion is dissimilar to human movement and consists of unique movement patterns as result of pressurization and the complex mechanical joint configurations. Thus, it is important to quantify the variations in suited movement patterns and the resulting performance of the wearer for the evaluation of the spacesuit itself and hardware interfaces such as payloads and tools. Traditionally, an individual body joint is assessed for the segment-wise range of motion. For example, the knee is measured through an isolated maneuvering of the joint between the max-to-max positions (e.g., flexion/extension), and the outcome represents the mobility capabilities. These measurements are often conducted using optical motion capture system with respect to anatomical planes. However, there are several considerations for range of motion assessments that are unique to the spacesuit. The purpose of this paper is to describe and provide examples of these additional challenges in representing spacesuit mobility capabilities. Specifically, joint mobility and the variations in suit movement patterns were investigated and compared between functional tasks and isolated range of motion measurements. Motion capture data from the next-gen spacesuit design verification testing was evaluated to compare isolated range of motion tasks to functional tasks, such as one-knee kneeling and squatting. The trajectories from the upper and lower body joint centers with respect to the spacesuit hardware were also calculated. Additionally, the joint trajectories for various functional tasks are presented and compared against the isolated range of motion measurements. In general, range of motion differs between isolated and functional tasks, where functional tasks may even induce greater joint angle excursions. Additionally, there is a large variation in joint range of motion across functional tasks. Combined with several relevant factors (spacesuit fit, physical strength, simulation facility, etc.), spacesuit mobility characterization efforts will need to incorporate the specific contexts, such as task demands and movement mechanisms, when evaluating range of motion assessments.

Linh Q Vu↗

NASA NTRSDate not supplied

Considerations for Range of Motion Testing During Spacesuit Mobility Characterization

Linh Q Vu↗

DOE OSTI2020

Trace Chemical Detection Using Intercalated MXenes as a Signal Enhancing Substrate in Optical Probes

MXenes are 2D materials composed of layered transition metal nitrides or carbides. These materials are synthesized by HF exfoliation from MAX phases (Ti{sub 3}AlC{sub 2}). The 2D nanomaterial was synthesized by the removal of the 'A' element, resulting in a Mxene product (Ti{sub 3}C{sub 2}). MXenes have the general formula M{sub n+1}X{sub n}T{sub x}, where M is an early transition metal, X is Carbon and/or Nitrogen, and T accounts for surface terminated functional groups such as Fluoride, hydroxyl, and oxygen. These materials have very unique properties, similar to graphene, that allows them to be applied in a variety of trace detection techniques including surface-enhanced Raman spectroscopy (SERS). MXenes have also been demonstrated to selectively uptake uranyl ion, UO{sub 2}{sup 2+}. If this property can be combined with SERS or fluorescence detection, it may be possible to use MXenes as the basis for an alternative method to kinetic phosphorescence analysis (KPA) for trace uranyl measurements. Objectives: To confirm that MXene Nano materials are suitable substrates for SERS and sensor development by enhancing Raman signaling. To determine if certain MXene preparation methods yield materials that are more suitable for trace sensing methods. To determine uranyl uptake properties of these MXene materials and test them for analytical signals. Sample Preparation: Preparation of Ti{sub 3}C{sub 2}MXene (at FSU). MXenes were prepared by etching Al from Ti{sub 3}AlC{sub 2} (MAX phase)material. Two etching techniques yield different MXene products: LiF/HCl: Milder reaction, larger MXene flakes. HF: Harsher reaction, smaller flakes, larger layer separation. Products washed to remove etchant, vacuum filtered, and dried. Dried MXene flakes are air-stable. Film preparation for sensor testing (at SRNL): Suspend powder in diH{sub 2}O, purge with Ar, sonicate for 30 min. Centrifuge and collect supernate with suspended particles. Observed LiF-etched Mxene yielded a higher density of particles and darker collected solution. Drop-cast (4 ml) supernate onto slides and dried with Ar. For Rhodamine B (RhB) testing, drop-cast 4 ml drops onto Mxene spots and dried with Ar. Scanning Electron Microscopy conditions: 10 kV Beam energy, high vacuum; Working distance of 8 mm; beam penetration depth appx. 4 microns, beam spot size appx. 2 nanometers. Results: Detection of aluminum correlates with bright spots on image. Presence of aluminum shows that LiF/HCl etching was less thorough than HF etching. Trace Cl detection in LiF images suggests incomplete rinsing. HF has smaller feature size, more layer structure, and increased homogeneity, consistent with expectations. Macroscopic Raman spectroscopy measurements: 532 nm excitation, ∼50 mW with a ∼100 micron spot size (InPhotonics RPB probe). Kaiser Optical Holospec f/1.8 spectrometer with cooled (-60 deg.C) Andor iDus OE420 CCD. LiF 1x supernate showed good signal for trace measurements of Rhodamine B. HF and 1/4x LiF supernates showed little Mxene or Rhodamine B signal. Low deposition densities led to excess background signal from glass slides. For LiF film, response is linear with Rhodamine B concentration over range tested. Will retest with Raman microscope (∼1 micron spot size) to characterize SERS of more dilute LiF and HF etched Mxenes. Conclusions: The LiF etched material was more suitable for macroscopic SERS measurements because it was more concentrated, resulting in a thicker film than the HF etched Mxene and diluted LiF sample. However, the other materials may give greater SERS enhancements, which we hope to determine from measurements with the Raman microscope. From characterization with SEM we concluded that the HF etched Mxene is more uniform/homogenous and has smaller particle size than the LiF etched Mxene. There is still aluminum present in both samples indicating that etching wasn't complete, but the removal of the aluminum was more efficient in the HF method. Path Forward: Observe SERS with Raman microscopy, to obtain better signals for the more diluted samples and be able to compare enhancement effects for the different MXenes. Characterize uranyl sorption into MXene films and test Raman and fluorescence signals. Revisit the etching conditions to improve removal of aluminum. FSU and SRNL will continue to collaborate to create and characterize different Mxene materials and test their usefulness for sensor applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

In-Situ Magnetic Field Reconstruction in the MAGIS-100 Experiment

Long-baseline atom interferometers such as the Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) require stringent control and continuous characterization of background magnetic fields and spatial gradients to prevent systemic phase shifts that mimic ultralight dark matter or gravitational wave signatures. Because direct sensor placement within the ultra-high vacuum beam pipe is infeasible, in-situ magnetic field monitoring relies on external sensor arrays situated in the surrounding annular region. This work demonstrates a field reconstruction framework for a 5.3-meter MAGIS-100 modular section using finite-element Opera simulations. Transverse magnetic fields are expanded using a cylindrical multipole framework as informed by Fermilab’s Muon g-2 experiment, with magnetometer array configurations optimized via Fisher information matrix D-optimality. Inverting external sensor readings through a Gauss-Newton scheme recovers interior tube fields across distinct axial positions. In the discontinuity-averse uniform region (slice pair P4), the model achieves sub-noise-floor performance with a cross-validated root-mean-square error (RMSE) of $6.7227 \times 10^{-4}\text{ A/m}$ ($0.845\times$ sensor noise floor) and an interior field coefficient of variation of $1.71\%$. An elbow criterion in the Fisher bounds establishes $n_{\text{max}} = 2$ as the optimal multipole truncation order to prevent noise amplification from over-parameterization, with $n_{\text{max}} = 3$ (sextupole) order chosen for analysis to demonstrate further complexity and cross-pair comparison. Furthermore, analytical differentiation of the fitted multipole coefficients yields dense spatial maps of the transverse Jacobian gradient matrix $\nabla \mathbf{H}$ along with propagated $1\sigma$ uncertainty bounds across the beam region ($r \le 2.75\text{ in}$). This operational framework confirms that external magnetometer arrays can reliably monitor magnetic field uniformity and spatial gradients along the 100-meter flight path given appropriate sampling for any complexity order.

Appleby, Darwin [William Rainey Harper Coll.; Ferm↗