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NASA NTRSDate not supplied

Hydrodynamics of Two-Phase Flows through Porous Media in Microgravity: Packed Bed Reactor Experiment onboard of the International Space Station

The objective of the Packed Bed Reactor Experiment was to develop a fundamental understanding of the hydrodynamics of two-phase flow with no phase transition through porous media in microgravity. This work describes two experimental campaigns flown on the International Space Station (ISS) that were designed to achieve the objective. This work presents the results on flow patterns observed, two-phase flow pressure drop in porous media, and the impact of capillary effects on pressure drop at various gas and liquid flow rates. This work is the first to present predictive correlations of the two-phase friction factor for the different regimes identified based on the superficial liquid and gas velocity in microgravity, the first to hypothesize the different regimes based on the change in slope of the pressure gradient versus flow rate plots, the first to address the effects of the capillarity on the pressure gradient and the first to measure column holdup and assess the effective porosity based on the packing and the trapped gas bubbles. Experimental data on pressure drop in gas (N2) – liquid (water) flow show the presence of four different flow regimes in microgravity. Dispersed bubble flow (DB) and pulse (P) flow regimes are detected at high liquid flow rates, whereas at low liquid flow rates “large bubble” or elongated bubble (LB) and “gas channeling” (GC) regimes are observed. For these different flow regimes, different two-phase flow friction factor and pressure gradient correlations are presented for the first time as a function of the gas and liquid modified Reynolds numbers and Suratman number. Within the viscous-capillary (V-C) regime, it is found that the capillary contribution is the dominant force that contributes to the pressure drop for the wetting case (glass). However, for the non-wetting packing (Teflon), the viscous contribution dominates. It was found that the gas hold-up and pressure drop are functions of bed history at low liquid and gas flow rates with the magnitude of the hysteresis decreasing with increasing flow rates. PBRE-2 results show that the capillary force is a strong function of the superficial liquid velocity but is a much weaker function of the superficial gas velocity and varies inversely with the particle diameter. Within the Viscous-Capillary (V-C) regime, over 90% of the pressure gradient is attributed to the capillary contribution in the gas continuous regime. However, in the large bubble regime, the viscous and capillary contributions were comparable. After the completion of PBRE-2 with glass spherical beads, another bed packed with alumina was installed. Pressure gradient data for the alumina packed bed (PBRE-Water Recovery) were transferred to the PI and were not analyzed by the authors of this work. The Packed Bed Reactor Experiment concluded its on-orbit operation after two successful campaigns of testing in 2017 and in 2021. The flight hardware was brought back from orbit and is being reconditioned for a series of future experiments referred to as PBRE-WRS in support of water recovery (WRS). The WRS series consists of testing different two-phase fluid system components and packed beds to assess their pressure gradient characteristics, which will be used for designing packed bed reactors for various applications relevant to life support. Although there is so much relevance of the experimental results obtained from the two PBRE campaign in microgravity to life support, these findings also apply to other applications that involve two phase flow in porous medium such as fuel cells, transport of nutrient to plants in space and other chemical and materials processing that involve two phase flows. These systems operate differently in microgravity because, due to the lack of buoyancy, the density difference between the phases becomes irrelevant and no longer leads to phase separation.

Packed Bed↗
DOE OSTI2022

First demonstration of tuning between the Kitaev and Ising limits in a honeycomb lattice

Recent observations of novel spin-orbit coupled states have generated interest in 4d/5d transition metal systems. A prime example is the J eff = $\frac{1}{2}$ state in iridate materials and α-RuCl 3 that drives Kitaev interactions. Here, by tuning the competition between spin-orbit interaction (λ SOC ) and trigonal crystal field (Δ T ), we restructure the spin-orbital wave functions into a previously unobserved μ = $\frac{1}{2}$ state that drives Ising interactions. This is done via a topochemical reaction that converts Li 2 RhO 3 to Ag 3 LiRh 2 O 6 . Using perturbation theory, we present an explicit expression for the μ = $\frac{1}{2}$ state in the limit Δ T ≫ λ SOC realized in Ag 3 LiRh 2 O 6 , different from the conventional J eff = $\frac{1}{2}$ state in the limit λ SOC ≫ Δ T realized in Li 2 RhO 3 . The change of ground state is followed by a marked change of magnetism from a 6 K spin-glass in Li 2 RhO 3 to a 94 K antiferromagnet in Ag 3 LiRh 2 O 6 .

36 MATERIALS SCIENCE↗
NASA NTRS1996

The Integrated Mode Management Interface

Mode management is the processes of understanding the character and consequences of autoflight modes, planning and selecting the engagement, disengagement and transitions between modes, and anticipating automatic mode transitions made by the autoflight system itself. The state of the art is represented by the latest designs produced by each of the major airframe manufacturers, the Boeing 747-400, the Boeing 777, the McDonnell Douglas MD-11, and the Airbus A320/A340 family of airplanes. In these airplanes autoflight modes are selected by manipulating switches on the control panel. The state of the autoflight system is displayed on the flight mode annunciators. The integrated mode management interface (IMMI) is a graphical interface to autoflight mode management systems for aircraft equipped with flight management computer systems (FMCS). The interface consists of a vertical mode manager and a lateral mode manager. Autoflight modes are depicted by icons on a graphical display. Mode selection is accomplished by touching (or mousing) the appropriate icon. The IMMI provides flight crews with an integrated interface to autoflight systems for aircraft equipped with flight management computer systems (FMCS). The current version is modeled on the Boeing glass-cockpit airplanes (747-400, 757/767). It runs on the SGI Indigo workstation. A working prototype of this graphics-based crew interface to the autoflight mode management tasks of glass cockpit airplanes has been installed in the Advanced Concepts Flight Simulator of the CSSRF of NASA Ames Research Center. This IMMI replaces the devices in FMCS equipped airplanes currently known as mode control panel (Boeing), flight guidance control panel (McDonnell Douglas), and flight control unit (Airbus). It also augments the functions of the flight mode annunciators. All glass cockpit airplanes are sufficiently similar that the IMMI could be tailored to the mode management system of any modern cockpit. The IMMI does not replace the functions of the FMCS control and display unit. The purpose of the INMI is to provide flight crews with a shared medium in which they can assess the state of the autoflight system, take control actions on it, reason about its behavior, and communicate with each other about its behavior. The design is intended to increase mode awareness and provide a better interface to autoflight mode management. This report describes the IMMI, the methods that were used in designing and developing it, and the theory underlying the design and development processes.

Hutchins, Edwin↗
DOE OSTI2020

Fungal social barriers: to fuse, or not to fuse, that is the question

Cell fusion takes place in all domains of life and contributes greatly to the formation of complex multicellular structures. In particular, many fungi, such as the filamentous Neurospora crassa, rely on conspecific somatic cell fusion to drive the unicellular-to-multicellular transition and formation of the interconnected mycelial syncytium. This can, however, lead to the transmission of infectious elements and deleterious genotypes that have a negative impact on the organismal fitness. Accumulating evidence obtained from natural populations suggests that N. crassa has evolved various self/non-self or allorecognition systems to avoid fusion between genetically non-identical spores or hyphae at all costs. Here we present an overview of the recent advances made in the field of fungal allorecognition, describe its genetic basis, and comment on its evolutionary meaning. These data pinpoint the multilayered complexity of the cooperative social behaviors undertaken by a model eukaryotic microbe.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Morphological evolution and transition at nanoscale in BSTO ceramic materials

Considerable efforts have been devoted for the development of low cost ferroelectric and clean energy storage multifunctional materials. Modification in design and production of a low cost material with well proven process provides pathway for high energy density dielectric energy storage. We studied fluorine doped a commercially well-established material system barium strontium titanate with two different concentrations of dopants and studied the morphological transition and its effect on properties. It was observed that sample with higher concentration transitioned much faster into glassy state, followed by growth of fibers which turned into a self-arranged bird nest type shape. The sample with lower concentration changed slowly into glassy state and only few fibers were farmed. Dielectric was highly dependent on processing methods and shows variation with crystallinity of material, temperature and cooling conditions during processing. In the higher concentration range, we observed nano-scale interface breakdown very similar to that of solid-liquid interface breakdown during crystal growth.

dielectric↗
DOE OSTI2022

Ferromagnetic MnBi 4 Te 7 obtained with low-concentration Sb doping: A promising platform for exploring topological quantum states

The tuning of the magnetic phase, chemical potential, and structure is crucial to observe diverse exotic topological quantum states in Mn Bi 2 Te 4 (Bi 2 Te 3 ) m (m = 0–3). Here we show a ferromagnetic (FM) phase with a chiral crystal structure in Mn (Bi 1–x Sb x ) 4 Te 7 , obtained via tuning the growth conditions and Sb concentration. Unlike previously reported Mn (Bi 1–x Sb x ) 4 Te 7 , which exhibits FM transitions only at high Sb doping levels, our samples show FM transitions (T C = 13.5 K) at 15%–27% doping levels. Furthermore, our single-crystal x-ray-diffraction structure refinements find Sb doping leads to a chiral structure with the space group of P3, contrasted with the centrosymmetric $P\bar{3}m1$ crystal structure of the parent compound MnBi 4 Te 7 . Through angle-resolved photoemission spectroscopy measurements, we also demonstrated that the nontrivial band topology is preserved in the Sb-doped FM samples. Given that the nontrivial band topology of this system remains robust for low Sb doping levels, our success in making FM Mn(Bi 1–x Sb x ) 4 Te 7 with x = 0.15, 0.175, 0.2, and 0.27 paves the way for realizing the predicted topological quantum states, such as the axion insulator and Weyl semimetals. Additionally, we also observed magnetic glassy behavior in both antiferromagnetic MnBi 4 Te 7 and FM Mn (Bi 1–x Sb x )4 Te 7 samples, which we believe originates from cluster spin-glass phases coexisting with long-range antiferromagnetic/FM orders. Further, we have also discussed how the antisite Mn ions impact the interlayer magnetic coupling and how FM interlayer coupling is stabilized in this system.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Morphological Evolution of Directional Solidification Interfaces in Microgravity: An Analysis of Model Experiments Performed on the International Space Station

A series of experiments performed using the Pore Formation and Mobility Investigation (PFMI) apparatus within the glovebox facility (GBX) on board the International Space Station (ISS) has provided video images of the morphological evolution of a three-dimensional interface in a diffusion controlled regime. The experimental samples were prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with "alloys" of succinonitrile (SCN) and water in an atmosphere of nitrogen at 450 millibar pressure. The compositions of the samples processed and analyzed are 0.25,0.5 and 1.0 wt% water. Experimental processing parameters of temperature gradient and translation speed, as well as camera settings, were remotely monitored and manipulated from the ground Telescience Center (TSC) at the Marshall !3pace Flight Center. During the experiments, the sample was first subjected to a unidirectional melt back, generally at 10 microns per second, with a constant temperature gradient ahead of the melting interface. Following the melt back, the interface was allowed to stabilize before translation is initiated. The temperatures in the sample were monitored by six in situ thermocouples and the position is monitored by an optical linear encoder. For the experiments performed and analyzed, the gradients ranged from 2.5 - 3.3 K/mm and the initial pulling velocities ranged from 0.7 micron per second to 1 micron per second with subsequent transition velocities of up to 100 microns per second. The data provided by the PFMI for analysis includes near-real-time (NRT) video captured on the ground during the experiment runs, ISS Video Tape Recorder (VTR) data dumped from the VTR at the end of the experiment run and recorded on the ground, telemetry data including temperature and position measurements, and limited flight HI-8 tapes in 2 camera views of experiment runs for which tapes have been returned to the investigators from ISS. Because of limited down mass from the ISS, the majority of the initial analysis has been performed using the NRT and VTR video data but will be supplemented with the HI-8 video as it becomes available. hardware and procedures required to prepare samples for correlation to flight samples is described. Using this ground-based system, a series of experiments have been performed for direct comparison with the flight data. The results of these comparisons as well as implications to future microgravity experiments are presented and discussed. A ground-based thin-sample directional solidification system as well as all associated

Strutzenberg, Louise L.↗
NASA NTRS1994

Optical and Electrical Properties of Reactively Sputtered TiN, ZrN, and HfN Thin Films

Thin films of titanium, zirconium, and hafnium nitride are prepared by DC magnetron reactive sputtering at room temperature on fused silica, optical glass, and silicon substrates. Deposition parameters are investigated in order to obtain stoichiometric films. The optical and electrical properties of the films as a function of nitrogen partial pressure are determined. The results show that an inverse correlation exists between the optical reflectance and the electrical resistivity of the films. Ellipsometer data for all three films show that their refractive index in the visible spectrum is decreased by increasing the film thickness while the extinction coefficient is unchanged. Thin films of TiN have the lowest room temperature resistivity relative to ZrN and HfN thin films.

Reactive↗
NASA NTRS2011

NASA Tech Briefs, March 2011

Topics covered include: Optimal Tuner Selection for Kalman-Filter-Based Aircraft Engine Performance Estimation; Airborne Radar Interferometric Repeat-Pass Processing; Plug-and-Play Environmental Monitoring Spacecraft Subsystem; Power-Combined GaN Amplifier with 2.28-W Output Power at 87 GHz; Wallops Ship Surveillance System; Source Lines Counter (SLiC) Version 4.0; Guidance, Navigation, and Control Program; Single-Frame Terrain Mapping Software for Robotic Vehicles; Auto Draw from Excel Input Files; Observation Scheduling System; CFDP for Interplanetary Overlay Network; X-Windows Widget for Image Display; Binary-Signal Recovery; Volumetric 3D Display System with Static Screen; MMIC Replacement for Gunn Diode Oscillators; Feature Acquisition with Imbalanced Training Data; Mount Protects Thin-Walled Glass or Ceramic Tubes from Large Thermal and Vibration Loads; Carbon Nanotube-Based Structural Health Monitoring Sensors; Wireless Inductive Power Device Suppresses Blade Vibrations; Safe, Advanced, Adaptable Isolation System Eliminates the Need for Critical Lifts; Anti-Rotation Device Releasable by Insertion of a Tool; A Magnetically Coupled Cryogenic Pump; Single Piezo-Actuator Rotary-Hammering Drill; Fire-Retardant Polymeric Additives; Catalytic Generation of Lift Gases for Balloons; Ionic Liquids to Replace Hydrazine; Variable Emittance Electrochromics Using Ionic Electrolytes and Low Solar Absorptance Coatings; Spacecraft Radiator Freeze Protection Using a Regenerative Heat Exchanger; Multi-Mission Power Analysis Tool; Correction for Self-Heating When Using Thermometers as Heaters in Precision Control Applications; Gravitational Wave Detection with Single-Laser Atom Interferometers; Titanium Alloy Strong Back for IXO Mirror Segments; Improved Ambient Pressure Pyroelectric Ion Source; Multi-Modal Image Registration and Matching for Localization of a Balloon on Titan; Entanglement in Quantum-Classical Hybrid; Algorithm for Autonomous Landing; Quantum-Classical Hybrid for Information Processing; Small-Scale Dissipation in Binary-Species Transitional Mixing Layers; Superpixel-Augmented Endmember Detection for Hyperspectral Images; Coding for Parallel Links to Maximize the Expected Value of Decodable Messages; and Microwave Tissue Soldering for Immediate Wound Closure.

Source record↗
DOE OSTI2022

Dipolar Heteronuclear Correlation Solid-State NMR Experiments between Half-Integer Quadrupolar Nuclei: The Case of 11 B– 17 O

With 73% of all NMR-active nuclei being quadrupolar, there is great interest in the development of NMR experiments that can probe the proximity of quadrupolar spins. Here, pulse sequences for magic-angle spinning (MAS) 11 B– 17 O resonance-echo saturation-pulse double-resonance (RESPDOR) and dipolar heteronuclear multiple quantum correlation (D-HMQC) solid-state NMR experiments were investigated. In these pulse sequences, rotational-echo double-resonance (REDOR) recoupling was used with central transition (CT)-selective π-pulses applied to either the 11 B or 17 O spins to recouple 11 B– 17 O dipolar interactions. 11 B{ 17 O} RESPDOR experiments on 17 O-enriched boric acid and benzene diboronic acid showed that application of dipolar recoupling on the 11 B channel yielded more signal dephasing than when recoupling is applied on the 17 O channel; however, short effective 11 B transverse relaxation time constants (T 2 ') hinder the acquisition of dephasing curves out to long recoupling durations. Application of REDOR recoupling to 17 O spins was found to produce significant dephasing without compromising the 11 B T 2 '. Comparison of experimental 11 B{ 17 O} RESPDOR curves to those of numerical simulations enabled the 17 O isotopic enrichment to be estimated. 2D 11 B{ 17 O} D-HMQC spectra were recorded with either 11 B or 17 O REDOR recoupling under a variety of radio frequency field conditions. Lastly, 2D 11 B{ 17 O} and 23 Na{ 17 O} D-HMQC spectra of an 17 O-enriched sodium borate glass were acquired to demonstrate the practical application of these heteronuclear correlation experiments to probe structural connectivity between two quadrupolar spins. Importantly, the high-field 2D 11 B– 17 O D-HMQC NMR spectrum revealed two unique 17 O sites correlating to 4-coordinate BO 4 ( [4] B), which were attributed to the [3] B–O– [4] B and [4] B–O– [4] B bridging O atoms. Furthermore, the heteronuclear correlation experiments outlined here should be applicable to a variety of quadrupolar spin pairs.

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

Self-Assembly of Anisotropic Particles on Curved Surfaces

The surface curvature of membranes, interfaces, and substrates plays a crucial role in shaping the self-assembly of particles adsorbed on these surfaces. However, little is known about the interplay between particle anisotropy and surface curvature and how they couple to alter the free energy landscape of particle assemblies. Using molecular dynamics simulations, we investigate the effect of prescribed curvatures on a quasi-2D assembly of anisotropic patchy particles. By varying curvature and surface coverage, we uncover a rich geometric phase diagram, with curvature inducing ordered structures entirely absent on planar surfaces. Large spatial domains of ordered structures can contain hidden microdomains of orientational textures imprinted by the surface on the assembly. The dynamical landscape is also reshaped by surface curvature, with a glass-like state emerging at modest densities and high curvature. Changes to the symmetry of the surface curvature are found to result in distinct structures, including phases with mesoscale ordering. In conclusion, our findings show that the coupling between surface curvature and particle geometry opens an unexplored space of morphologies and structures that can be exploited for material design.

Fluids↗
DOE OSTI2020

A collective elastic fluctuation mechanism for decoupling and stretched relaxation in glassy colloidal and molecular liquids

We propose a microscopic theory for the decoupling of self-diffusion and structural relaxation in glass-forming liquids within the Elastically Collective Nonlinear Langevin Equation (ECNLE) activated dynamics framework. Our central hypothesis is that the heterogeneity relevant to this problem is static fluctuations of local density on the scale of 3–4 particle diameters and how this changes local packing correlations. These fluctuations modify the degree of dynamical cage expansion that mechanistically couples intracage large amplitude hopping and longer range collective elasticity in ECNLE theory. Decoupling only emerges in the deeply supercooled regime where the strongly temperature dependent elastic barrier becomes non-negligible relative to its noncooperative local analog. The theory makes predictions for various aspects of the decoupling phenomenon, including apparent fractional power law Stokes-Einstein behavior, that appear to be consistent with experiments and simulations on hard sphere fluids and molecular liquids. Of central importance is a microscopic connection between the barrier fluctuation variance and most probable barrier height. Sensible results are also obtained for the nonexponential stretching of a generic relaxation time correlation function and its temperature evolution. Nonuniversality can arise from the relative importance of the local and collective barriers (related to fragility) and the precise magnitude of the length scale that defines the transition from local cage to elastic physics. Comparison is made with a traplike model based on a Gaussian distribution of barriers.

Xie, Shi-Jie (ORCID:0000000333174720)↗
NASA NTRS2023

Microstructural Changes and Pb Mobility During the Zircon to Reidite Transformation: Implications for Planetary Impact Chronology

Impact events modify and leave behind a complex history of rock metamorphism on terrestrial planets. Evidence for an impact event may be recorded in physical changes to minerals, such as mineral deformation and formation of high P-T polymorphs, but also in the form of chemical fingerprints, such as enhanced elemental diffusion and isotopic mixing. Here we explore laboratory shock-induced physical and chemical changes to zircon and feldspar, the former of which is of interest because its trace elements abundances and isotope ratios are used extensively in geochemistry and geochronology. To this end, a granular mixture of Bishop Tuff sanidine and Kuehl Lake zircon, both with well characterized Pb isotope compositions, was prepared and then shocked via a flat plate accelerator. The peak pressure of the experiment, as calculated by the impedance matching method, was ~24 GPa although a broader range of P-T conditions is anticipated due to starting sample porosity. Unshocked and shocked materials were characterized via scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), and Raman spectroscopy. These methods show that the starting zircon material had abundant metamict regions, and the conversion of the feldspar to glass in the post-shock material. Analyses of the shocked product also yielded multiple occurrences of the high-pressure ZrSiO 4 polymorph reidite, with some domains up to 300 μm across. The possibility of U-Pb system disturbance was evaluated via laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) and secondary ion mass spectrometry (SIMS). The isotopic data reveal that disturbance of the U-Pb geochronometer in the reidite was minimal (<2% for the main U-Pb geochronometers). To better constrain the P-T conditions during the shock experiment, we complement impedance matching pressure calculations with iSALE2D impact simulations. The simulated results yield a range of P-T conditions experienced during the experiment and show that much of the sample may have reached >30 GPa, which is consistent with formation of reidite. In the recovered shocked material, we identified lamellae of reidite, some of which interlock with zircon lamellae. Reidite {112} twins were identified, which we interpret to have formed to reduce stress between the crystal structure of the host zircon and reidite. These two findings support the interpretation that shear transformation enabled the transition of zircon to reidite. The size and presence of reidite found here indicate that this phase is probably common in impact-shocked crustal rocks that experienced ~25 to ~35 GPa, especially when the target material has porosity. Additionally, shock loading of the zircon and transformation to reidite at these pressures in porous materials is unlikely to significantly disturb the U-Pb system in zircon and that the reidite inherits the primary U and Pb elemental and isotopic ratios from the zircon.

Bishop Tuff↗
NASA NTRSDate not supplied

Assessing Degradation of Advanced Coatings for Carbon/Carbon Composites

Carbon/carbon (C/C) composites are a well-utilized material system for hot structures to enable hypersonic flight. However, C/C materials are susceptible to attack by environmental degradation mechanisms, notably oxidation, which can limit the durability of components resulting in premature failure. Environmental barrier coatings (EBCs) have been developed to mitigate deleterious oxidation. Coating compositions based on silicon carbide (SiC) offer promise as a protective coating material for C/C composites. Under particular hypersonic flight conditions, a passivating silica scale can form at the surface of the EBC, acting as a barrier that can protect the underlying coating and substrate. However, the transition from passive to active oxidation, which varies with temperature and pressure, causes the formation of gaseous SiO that volatilizes leading to detrimental consumption of the SiC coating. In this work, arc-jet testing of SiC-based coatings developed to protect Advanced C/C-6 (ACC-6) was performed under a range of conditions to replicate varying oxidation conditions. In-situ optical emission spectroscopic measurements of the gas-surface interactions were collected and evaluated to render compositional degradation of the coating and underlying composite during arc-jet testing. Specimens were evaluated before, during and after arc-jet testing using destructive and non-destructive materials characterization methods, including optical and scanning electron microscopy and energy dispersive spectroscopy.

Coatings, Hypersonics, Composites↗
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 OSTI2024

MR13A-3183: Microbial and Geochemical Characterization of Groundwater: Implications for Underground Hydrogen Storage Leakage

Underground hydrogen storage (UHS) in geological formations is a key element of the clean energy transition as it enables the decarbonization of the transportation and industrial sectors by decoupling hydrogen production and storage. UHS has many benefits, including low cost, much wider availability, large storage capacity, well-established infrastructure, and increased safety because of geological sealing capabilities. However, the impact of hydrogen (H2) biogeochemical interactions in the presence of subsurface microorganisms is largely neglected from UHS perspectives. These interactions might affect the effectiveness of storage and can even cause H2 to leak into the shallow aquifers. Leakage of H2 into groundwater can change the geochemistry and induce several microbial-driven processes. Microorganisms, such as sulfate-reducers, are naturally abundant in groundwater and consume H2 to produce hydrogen sulfide (H2S), which can contaminate the freshwater drinking groundwater and cause damage to infrastructure. Hydrogen leakage can also trigger microbial reactions responsible for metal mobility, which can impact the water quality. However, the kinetics of these reactions and the temporal impact of hydrogen leakage in groundwater are still unknown. Therefore, a time series hydrogen-groundwater interaction experiment was conducted, and the changes in fluid chemistry and headspace gas composition will be analyzed along with DNA sequencing results to understand the extent and kinetics of biogeochemical reactions that occur if hydrogen leaks into groundwater. In the experiments, Ultra High Purity (UHP) hydrogen gas will be injected into glass vials with groundwater samples, for a designated time period. For each glass-sealed vial, 16S rRNA gene sequencing, IC, ICP-MS, and GC-TCD will be performed. The experiments provide insights into plausible impacts of hydrogen leakage into shallow drinking water aquifers.

Clark, Allison [West Virginia University (WVU)]↗
NASA NTRS2018

Numerically Simulating an Expanding Continuum Jet into a Surrounding Non-Continuum Region

A numerical technique that simulates the interaction between a continuum jet and a free-molecular, rarefied or transitional flow field is presented and applied. The technique is based on selecting a boundary between the expanding jet plume and interacting flow field defined by the Bird breakdown parameter, P. By properly choosing the boundary, the jet plume computed by computational fluid dynamics (CFD) is uncoupled from the interaction region that is simulated by direct simulation Monte Carlo (DSMC). The mechanics of uncoupling the continuum and non-continuum regions is discussed first. Also, a discussion of expanding continuum plume breakdown and the formulation of the Bird breakdown parameter is presented. To show the usefulness, examples of applying the CFD-DSMC technique are given. Many of the examples were taken from projects worked by the staff of the Aerothermodynamics Branch at the NASA Langley Research Center. These examples show a variety of applications of the technique and allow those examples not previously documented to be formally presented.

Jet interaction↗
NASA NTRS2005

Future Visions for Scientific Human Exploration

Today, humans explore deep-space locations such as Mars, asteroids, and beyond, vicariously here on Earth, with noteworthy success. However, to achieve the revolutionary breakthroughs that have punctuated the history of science since the dawn of the Space Age has always required humans as "the discoverers," as Daniel Boorstin contends in this book of the same name. During Apollo 17, human explorers on the lunar surface discovered the "genesis rock," orange glass, and humans in space revamped the optically crippled Hubble Space Telescope to enable some of the greatest astronomical discoveries of all time. Science-driven human exploration is about developing the opportunities for such events, perhaps associated with challenging problems such as whether we can identify life beyond Earth within the universe. At issue, however, is how to safely insert humans and the spaceflight systems required to allow humans to operate as they do best in the hostile environment of deep space. The first issue is minimizing the problems associated with human adaptation to the most challenging aspects of deep space space radiation and microgravity (or non-Earth gravity). One solution path is to develop technologies that allow for minimization of the exposure time of people to deep space, as was accomplished in Apollo. For a mission to the planet Mars, this might entail new technological solutions for in-space propulsion that would make possible time-minimized transfers to and from Mars. The problem of rapid, reliable in-space transportation is challenged by the celestial mechanics of moving in space and the so-called "rocket equation." To travel to Mars from Earth in less than the time fuel-minimizing trajectories allow (i.e., Hohmann transfers) requires an exponential increase in the amount of fuel. Thus, month-long transits would require a mass of fuel as large as the dry mass of the ISS, assuming the existence of continuous acceleration engines. This raises the largest technological stumbling block to moving humans on site as deep-space explorers, delivering the masses required for human spaceflight systems to LEO or other Earth orbital vantage points using the existing or projected fleet of Earth-to-orbit (ETO) launch vehicles. Without a return to Saturn V-class boosters or an alternate path, one cannot imagine emplacing the masses that would be required for any deep-space voyage without a prohibitive number of Shuttle-class launches. One futurist solution might involve mass launch systems that could be used to move the consumables, including fuel, water, food, and building materials, to LEO in pieces rather than launching integrated systems. This approach would necessitate the development of robotic assembly and fuel-storage systems in Earth orbit, but could provide for a natural separation of low-value cargo (e.g., fuel, water).

Garvin, James↗