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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

H-Mat Hydrogen Compatibility of Polymers and Elastomers

The H2@Scale program of the U.S. Department of Energy (DOE) Fuel Cell Technologies Office is supporting work on the hydrogen compatibility of polymers to improve the durability and reliability of materials for hydrogen infrastructure. The hydrogen compatibility program (H-Mat) seeks “to address the challenges of hydrogen degradation by elucidating the mechanisms of hydrogen-materials interactions with the goal of providing science-based strategies to design materials, (micro)structures, and morphology with improved resistance to hydrogen degradation.” This research has observed interactions of hydrogen and pressure with model rubber-material compounds resulting in volume change and compression-set differences in the materials. The materials were investigated using helium-ion microscopy (HeIM), which revealed significant morphological changes in the plasticizer-incorporating compounds after exposure, as evidenced by time-of-flight secondary ion mass spectrometry. Additional studies using transmission electron microscopy and nuclear magnetic resonance were performed to correlate morphological change to potential chemical change in the materials.

08 HYDROGEN↗
DOE OSTI2022

Design and Performance of lithium-Ion Batteries for Achieving Electric Vehicle Takeoff, Flight, and Landing

Today, the burgeoning drive towards global urbanization with over half the earth’s population living in cities, has created major challenges with regards to intracity and intercity transit and mobility. This problem is compounded due to the fact that almost always urbanization and increase in standard of living drives individual automobile ownerships. Over 95% of automobiles are presently powered by some form of fossil fuel and as an unintended consequence, urban centers have also been centers for peak greenhouse gas emissions, a major contributor to global climate change. A revolutionary solution to this conundrum is flight capable electric automobiles or electric aerial vehicles that can tackle both urban mobility and climate change challenges. For such advanced electric platforms, energy storage and delivery component is the vital component towards achieving takeoff, flight, cruise, and landing. The requirements and duty cycle demands on the energy storage system is drastically different when compared to the performance metrics required for terrestrial electric vehicles. As the widely deployed lithium ion-based battery systems are often the primary go-to energy storage choice in electric vehicle related applications, it is imperative that performance metrics and specifications for such batteries towards areal electric vehicles need to be established. In this nascent field, there exists ample opportunities for battery material innovations, understanding degradation mechanism, battery design, development and deployment of battery control and management systems. Thus, this chapter comprehensively discusses battery requirements and identifies battery material chemistries suitable for handling aerial electric automobile duty cycles. The chapter also discusses the battery cell-level metrics pertaining to electrochemical, chemical, mechanical, and structural parameters. Furthermore, specific models for battery degradation, state of health (SOH), capacity and models for full cell performance and degradation are also discussed here. Finally, the chapter also discusses battery safety and future directions of batteries that would power these next generation urban electric aircrafts.

Amin, Ruhul↗
DOE OSTI2026

Volatilized Ammonia Supports Subterranean Ecosystems with Unusual Nitrogen Isotopic Signatures

The Frasassi cave system hosts a robust subterranean ecosystem based on microbial lithoautotrophy. Curiously, acidic biofilms forming above degassing sulfidic cave streams, and the invertebrates that feed on them, are extremely depleted in nitrogen-15 (δ 15 N values less than −20‰). In this study, we tested the hypothesis that these low δ 15 N values result from the volatilization, trapping, and uptake of ammonia degassed from circumneutral streams. We found that dissolved ammonium in the streams had δ 15 N values near +3‰, whereas NH 3(g) in the cave atmosphere above streams exhibited δ 15 N values as low as −27‰, consistent with fractionation by NH 3 volatilization. Extremely acidic condensation droplets on cave walls efficiently trapped airborne NH 3 , accumulating up to 4 mM NH 4 + with δ 15 N values as low as −29‰, thereby confirming volatilized and trapped ammonia as the primary N source to cave wall biofilms and the extensive subsurface ecosystem they support. Airborne ammonia trapping represents a novel mechanism for biological N acquisition and provides abundant N for growth in an extreme subsurface environment that otherwise receives very limited nutrient input.

Nitrogen↗
DOE OSTI2021

Surfactant inhibition mechanisms of carbonate mineral dissolution in shale

Surfactants are common additives to hydraulic fracturing and enhanced oil recovery (EOR) fluids, and are under consideration for amendment to supercritical carbon dioxide for geological carbon sequestration (GCS). The effect of a common anionic surfactant, internal olefin sulfonate (IOS), on mineral dissolution from shale into brine was evaluated. When added to brine at concentrations exceeding the critical micelle concentration (94 mg/L), IOS inhibited carbonate mineral dissolution in an Eagle Ford shale, as well as dissolution of optical quality calcite (the dominant carbonate in the shale). Laser profilometry images provide spatial resolution across > 3 orders of magnitude, and indicate that IOS addition to brine both enhances the formation of new etch pits in calcite, and impedes their further growth. Time-of-flight secondary ion mass spectrometry surface profiles show for the first time that IOS preferentially adsorbs at calcite pit edges versus flat calcite surfaces (i.e., terraces). Surface pressure calculations, sulfur K-edge near edge X-ray absorption fine structure (NEXAFS) spectroscopy results, and density functional theory (DFT) calculations support this observation; the DFT results indicate that the sulfonate head group of the IOS molecule binds strongly to the calcite step site as compared to the terrace site. The S K-edge NEXAFS results indicate that IOS adsorbed more to etched calcite surfaces compared to smooth calcite surfaces. Overall, the results indicate that weak adsorption on flat calcite surfaces (i.e., terraces) disrupts water structure and enhances mass transfer of dissolution, while strong adsorption on calcite pit edges displaces adsorbed water and inhibits further etch pit growth. This work provides the first direct evidence of preferential adsorption of IOS to etched calcite surfaces and links it to macroscopic dissolution kinetics. Finally, this work has implications for surfactant-containing fluids used in hydraulic fracturing, EOR and potentially GCS for subsurface injection into carbonate rich reservoirs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Euler–Lagrange stochastic modeling of droplet breakup and impact in supersonic flight

Blunt bodied aircraft traveling supersonically in weather environments may be damaged by impacts with water droplets and other airborne particles, such as snow and ice. Prior to an impact, these particles will encounter a bow shock that causes a discontinuity in their relative velocity with the gas phase, which can lead droplets to breakup into smaller droplets. These smaller droplets are more easily diverted from colliding with the blunt body due to their significantly reduced inertia relative to the initial rain droplets. One-way coupled Euler–Lagrange simulations are used to study the dynamics of droplets approaching a blunt body in steady two dimensional and axi-symmetric flow fields using a stochastic version of the Taylor analogy breakup model for the breakup dynamics. Ultimately, the dominant mechanism determining engineering quantities of interest was observed to be a competition between breakup time and the time available for a droplet to reach the body after encountering the bow shock. At Mach numbers 2, 3, and 6, the competition between these mechanisms was the dominant factor determining the momentum transfer to the blunt body via droplet collisions, which can be well characterized by a scaling relation.

Briney, Sam (ORCID:0000000179061081)↗
DOE OSTI2020

Moisture-Driven Formation and Growth of Quasi-2-D Organolead Halide Perovskite Crystallites

Ruddlesden–Popper phase quasi-2-D organolead halide perovskites like n-butylammonium methylammonium lead iodide (nBA-MAPI) exhibit improved moisture stability over typical 3-D perovskite materials, making them exciting for use in a variety of applications such as photovoltaic (PV) devices. This improved stability is the result of a unique disproportionation-based degradation mechanism that protects the bulk of the nBA-MAPI from extensive damage through the formation of a protective, low-n surface layer. In addition to this surface layer, nBA-MAPI films also exhibit the dynamic growth of micrometer-scale crystallites and cracks at the surface of the film, unique and potentially important byproducts of quasi-2-D perovskite disproportionation. Here, we present a detailed study of these crystallites using several analytical techniques including photoluminescence spectroscopy (PL), confocal fluorescence microscopy (CFM), atomic force microscopy (AFM) combined with time-of-flight-secondary ion mass spectrometry (ToF-SIMS), and others in an effort to better understand the relationship between material disproportionation and crystallite growth. Our results show that the crystallites form after exposure to humid air and confirm that they are composed of low-n phases of nBA-MAPI. The crystallites are found to extend into the interior of the film and exhibit continued growth while exposed to moisture over 72 h. This growth is accompanied by both a decrease in the bulk 2-D phase and an increase in a 3-D-like phase in the surface PL spectra, indicating that the crystallites are likely a product of moisture-driven disproportionation. Importantly, similar crystallites are also observed to form within model PV devices, indicating that such processes must be accounted for when designing future devices containing materials like nBA-MAPI.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Kokkos Ecosystem [Brief]

In 2016/2017, the field of High-Performance Computing (HPC) entered a new era driven by fundamental physics challenges to produce ever more energy and cost-efficient processors. Since the convergence on the Message-Passing Interface (MPI) standard in the mid-1990s, application developers enjoyed a seemingly static view of the underlying machine — that of a distributed collection of homogeneous nodes executing in collaboration. However, after almost two decades of dominance, the sole use of MPI to derive parallelism acted as a limiter to improved future performance. While MPI is widely expected to continue to function as the basic mechanism for communication between compute nodes for the immediate future, additional parallelism is required on the computing node itself if high performance and efficiency goals are to be realized. When reviewing the architectures of the top HPC systems today, the change in paradigm is clear: the compute nodes of the leading machines in the world are either powered by many-core chips with a few dozen cores each, or use heterogeneous designs, where traditional CPUs marshal work to massively parallel compute accelerators which has as many as 200,000 processing threads in flight simultaneously. Complicating matters further for application developers, each processor vendor has its own preferred way of writing code for their architecture.The Kokkos EcoSystem was released by Sandia in 2017 to address this new era in HPC system design by providing a vendor independent performance portable programming system for scientific, engineering, and mathematical software applications written in the C++ programming language. Using Kokkos, application developers can be more productive because they will not have to create and maintain separate versions of their software for each architecture, nor will they have to be experts in each architecture's peculiar requirements. Instead, they will have a single method of programming for the diverse set of modern HPC architectures. While Kokkos started in 2011 as a programming model only, it soon became clear that complex applications needed more. It is also critical to have a portable mathematical functions and developers need tools to debug their applications, gain insight into the performance characteristics of their codes and tune algorithm performance parameters through automated processes. The Kokkos EcoSystem addresses those needs through its three main components: the Kokkos Core programming model, the Kokkos Kernels math library, and the Kokkos Tools project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

3D reconstruction of an inertial-confinement fusion implosion with neural networks using multiple heterogeneous data sources

3D asymmetries are major degradation mechanisms in inertial-confinement fusion implosions at the National Ignition Facility (NIF). These asymmetries can be diagnosed and reconstructed with the neutron imaging system (NIS) on three lines of sight around the NIF target chamber. Conventional tomographic reconstructions are used to reconstruct the 3D morphology of the implosion using NIS [Volegov et al., J. Appl. Phys. 127, 083301 (2020)], but the problem is ill-posed with only three imaging lines of sight. Asymmetries can also be diagnosed with the real-time neutron activation diagnostics (RTNAD) and the neutron time-of-flight (nToF) suite. Since the NIS, RTNAD, and nToF each sample a different part of the implosion using different physical principles, we propose that it is possible to overcome the limitations of too few imaging lines of sight by performing 3D reconstructions that combine information from all three heterogeneous data sources. This work presents a new machine learning-based reconstruction technique to do just this. By using a simple physics model and group of neural networks to map 3D morphologies to data, this technique can easily account for data of multiple different types. A simple proof-of-principle is presented, demonstrating that this technique can accurately reconstruct a hot-spot shape using synthetic primary neutron images and a hot-spot velocity vector. In particular, the hot-spot’s asymmetry, quantified as spherical harmonic coefficients, is reconstructed to within ±4% of the radius in 90% of test cases. In the future, this technique will be applied to actual NIS, RTNAD, and nToF data to better understand 3D asymmetries at the NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Demonstration and analysis of volumetric additive manufacturing via sub-orbital spaceflight testing

Computed Axial Lithography (CAL) represents a significant advancement in the emerging field of Volumetric Additive Manufacturing (VAM). CAL addresses key limitations of traditional photopolymer additive manufacturing technologies, by eliminating the need for layering and support structures. Unlike conventional methods, CAL prints components by illuminating all points within a desired geometry simultaneously, using tomographic reconstruction to form the object in a single step. This unique approach eliminates the relative motion between the object and the precursor material, enabling faster printing speeds and reducing the waste associated with support structures. However, CAL parts require post-processing steps before they can be utilized. CAL's core attributes make it particularly suited for In-Space Manufacturing (ISM), due to its fast fabrication times, wide breadth of materials it can use, and minimized footprint. CAL has been successfully demonstrated in microgravity during parabolic flight experiments. However to fully validate and understand CAL's behaviour in microgravity, all manufacturing and post-processing steps must be integrated. In June 2024, we conducted SpaceCAL Mission 3, testing this entire workflow on a suborbital flight aboard Virgin Galactic's SpaceShipTwo. During ~140 s of microgravity, the system autonomously manufactured and post-processed four parts using PEGDA700 resin. Post-flight analysis showed that 2/4 parts were recognisable, while others were distorted due to bubble formation from residual water droplets, off-axis optical aberrations, and non-uniform solvent rinsing. Despite these limitations, this study represents the first integrated CAL workflow in space, providing an initial experimental demonstration and analysis for closed-loop in-space manufacturing.

Waddell, Taylor [Department of Mechanical Engineer↗
DOE OSTI2022

Assessing Long-Term Cycling Stability of Single-Crystal Versus Polycrystalline Nickel-Rich NCM in Pouch Cells with 6 mAh cm -2 Electrodes

Lithium-ion batteries based on single-crystal LiNi1-x-yCoxMnyO2 (NCM, 1-x-y ≥ 0.6) cathode materials are gaining increasing attention due to their improved structural stability resulting in superior cycle life compared to batteries based on polycrystalline NCM. However, an in-depth understanding of the less pronounced degradation mechanism of single-crystal NCM is still lacking. Here, a detailed postmortem study is presented, comparing pouch cells with single-crystal versus polycrystalline LiNi 0.60 Co 0.20 Mn 0.20 O 2 (NCM622) cathodes after 1375 dis-/charge cycles against graphite anodes. The thickness of the cation-disordered layer forming in the near-surface region of the cathode particles does not differ significantly between single-crystal and polycrystalline particles, while cracking is pronounced for polycrystalline particles, but practically absent for single-crystal particles. Transition metal dissolution as quantified by time-of-flight mass spectrometry on the surface of the cycled graphite anode is much reduced for single-crystal NCM622. Similarly, CO 2 gas evolution during the first two cycles as quantified by electrochemical mass spectrometry is much reduced for single-crystal NCM622. Benefitting from these advantages, graphite/single-crystal NMC622 pouch cells are demonstrated with a cathode areal capacity of 6 mAh cm -2 with an excellent capacity retention of 83% after 3000 cycles to 4.2 V, emphasizing the potential of single-crystalline NCM622 as cathode material for next-generation lithium-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Efficient loading of reduced data ensembles produced at ORNL SNS/HFIR neutron time-of-flight facilities

We present algorithmic improvements to the loading operations of certain reduced data ensembles produced from neutron scattering experiments at Oak Ridge National Laboratory (ORNL) facilities. Ensembles from multiple measurements are required to cover a wide range of the phase space of a sample material of interest. They are stored using the standard NeXus schema on individual HDF5 files. This makes it a scalability challenge, as the number of experiments stored increases in a single ensemble file. The present work follows up on our previous efforts on data management algorithms, to address identified input output (I/O) bottlenecks in Mantid, an open-source data analysis framework used across several neutron science facilities around the world. We reuse an in-memory binary-tree metadata index that resembles data access patterns, to provide a scalable search and extraction mechanism. In addition, several memory operations are refactored and optimized for the current common use cases, ranging most frequently from 10 to 180, and up to 360 separate measurement configurations. Results from this work show consistent speed ups in wall-clock time on the Mantid LoadMD routine, ranging from 19% to 23% on average, on ORNL production computing systems. The latter depends on the complexity of the targeted instrument-specific data and the system I/O and compute variability for the shared computational resources available to users of ORNL’s Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) instruments. Nevertheless, we continue to highlight the need for more research to address reduction challenges as experimental data volumes, user time and processing costs increase.

Godoy, William↗
DOE OSTI2021

Influence of microstructure on replacement and porosity generation during experimental dolomitization of limestones

Replacement reactions commonly alter the multiscale pore structures of rocks during fluid-rock interactions. Analysis of these processes in various model fluid-rock systems during controlled laboratory experiments provides insights into the origins of microstructures found in natural materials. This study focused on understanding the effects of initial starting material permeability and resultant differences in transport pathways on porosity and mineralogical changes during limestone dolomitization.A series of replacement experiments (32–317 days in duration) have been conducted in which 1.59 cm (5/8 in.) diameter cores of two different limestones were reacted with saturated MgCl2 solutions at 200 °C. The Texas Cream (Austin Chalk) is a high-porosity, high-permeability limestone, whereas both the porosity and permeability of the Carthage Marble (Burlington Limestone) are relatively low. Altered limestones were imaged using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX), Time-of-Flight Secondary Ion Mass Spectrometry (ToF–SIMS) and electron microprobe analysis (EMPA). A representative grain boundary of the low-porosity limestone was targeted for a focused ion beam (FIB) lift-out and characterized using transmission electron microscopy (TEM). These results were coupled with analyses of radial changes in the porosity distribution of the core derived from X-ray and neutron small- and ultra-small angle scattering ((U)SANS/(U)SAXS).The high-porosity/permeability limestone showed a four times faster bulk replacement rate than the lower-porosity/permeability material, and a different mechanism of porosity development. For the low-porosity limestone, a two-stage replacement occurred, with the reacted region of the core consisting of an inner rim in which the limestone was replaced by two calcite-dolomite solid solutions, and an outer rim in which the dolomite was replaced by magnesite. Elongated pores formed along grain boundaries at the initial limestone/dolomite reaction interface, and additional nanometer-scale porosity was formed at the secondary magnesite replacement rim. Grain boundaries were identified as preferential pathways for transport leading to dolomitization and a grain boundary diffusion rate was calculated based on microstructural characterization. In contrast, replacement in the high-porosity limestone was accompanied by porosity generation through replacement of individual grains by dolomite throughout the sample and, in longer runs, magnesite in outer parts of the core. These observations emphasize that both the mechanisms of the replacement reaction and the microstructure and chemistry of the replaced product are contingent on the initial structure of the starting material.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Microstructural features and deuterium diffusion in lithium penta-aluminate pellets under He + and D + ion irradiation

Lithium (Li) penta-aluminate (LiAl 5 O 8 ) is investigated as a potential tritium (T) breeding material, with a focus on microstructural response to ion irradiation and deuterium (D) diffusion behavior. Under high-fluence ion irradiation (2 x 10 17 (He + +D + )/cm 2 ) at 773 K, LiAl 5 O 8 exhibits significant disorder on the Li sublattice, as revealed by atomic-resolution scanning transmission electron microscopy, while the Al and O sublattices remain stable, demonstrating strong resistance to structural amorphization. Irradiation induces the formation of platelet-shaped antiphase boundaries (APBs), which may serve as effective D trapping sites. Atom probe tomography suggests the presence of 6 LiD clusters in the mass spectra, though definite conclusions regarding APB composition are hindered by signal overlap and limited data statistics. Time-of-flight secondary ion mass spectrometry reveals that D retention approaches to saturation at 3 x 10 17 (He + +D + )/cm 2 . Isothermal and isochronal annealing studies determine an average diffusivity of 1.6 x 10 -13 at 773 K and an effective activation energy of 0.8 ± 0.1 eV for D migration. Compared to γ-LiAlO 2 , LiAl 5 O 8 demonstrates superior irradiation resistance, minimal Li loss, and enhanced D retention, underscoring its potential as a durable breeder material for T production. In conclusion, these findings provide key insights into the microstructural evolution, defect dynamics, and D retention mechanisms in LiAl 5 O 8 under reactor-relevant conditions.

42 ENGINEERING↗
DOE OSTI2022

Thermal and Catalytic Decomposition of 2-Hydroxyethylhydrazine and 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid

To develop chemical kinetics models for the combustion of ionic liquid-based monopropellants, identification of the elementary steps in the thermal and catalytic decomposition of components such as 2-hydroxyethylhydrazinium nitrate (HEHN) is needed but is currently not well understood. The first decomposition step in protic ionic liquids such as HEHN is typically the proton transfer from the cation to the anion, resulting in the formation of 2-hydroxyethylhydrazine (HEH) and HNO 3 . In the first part of this investigation, the high-temperature thermal decomposition of HEH is probed with flash pyrolysis (<1400 K) and vacuum ultraviolet (10.45 eV) photoionization time-of-flight mass spectrometry (VUV-PI-TOFMS). Next, the investigation into the thermal and catalytic decomposition of HEHN includes two mass spectrometric techniques: (1) tunable VUV-PI-TOFMS (7.4-15 eV) and (2) ambient ionization mass spectrometry utilizing both plasma and laser ionization techniques whereby HEHN is introduced onto a heated inert or iridium catalytic surface and the products are probed. The products can be identified by their masses, their ionization energies, and their collision-induced fragmentation patterns. Further, formation of product species indicates that catalytic surface recombination is an important reaction process in the decomposition mechanism of HEHN. The products and their possible elementary reaction mechanisms are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

High-resolution vibrational predissociation spectroscopy of I - ·H 2 O by single-mode CW infrared excitation in a 3D cryogenic ion trap

We describe the integration of a tunable, single-mode, continuous wave infrared laser into a cryogenic ion spectroscopy experiment to measure the rovibrational spectrum of the I - ∙H 2 O complex in the OH stretching region. These upper levels lie about 300 cm -1 above the dissociation threshold. The measurements are carried out by loading the ions in a radiofrequency ion trap at 10 Hz and cooling them to 5 K with pulsed He buffer gas. IR photodissociation (PD) of the I - ∙H 2 O complex is monitored by recording the I - product yield by time-of-flight mass spectrometry as a function of laser wavelength. Very narrow (Δν~75 MHz) rotational lines are observed throughout the spectrum, indicating long (ca. 2 ns) lifetimes for the excited metastable rovibrational levels. Rotational analysis of the band arising from the K”=1 to K’=2 transition of the free OH stretching fundamental yields the structure of the complex for the first time. Over 50% of the trapped ion ensemble in the trap can be photodissociated upon excitation of a single rotational line. This enables very high signal-to-noise in the PD spectrum, and is traced to a mechanism in which the ground state rotational levels are rapidly equilibrated by collisions with the buffer gas.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Oxygen Evolution on Mechanically Strained TiO2/NiTi: Implications of Compositional Heterogeneity at (Photo)Electrocatalytic Interfaces

The adsorption and activation energetics underpinning small molecule conversion on heterogeneous (photo)electrocatalysts are intrinsically tied to catalyst surface properties. Absent compositional characterization techniques with sufficient interface sensitivity, however, (photo)electrochemical performance can be misinterpreted in the context of bulk or near-surface material properties. Here we provide a fundamental investigation of the convoluting role of near-surface compositional heterogeneity in the interpretation of (photo)electrochemical alkaline oxygen evolution reaction (OER) activity, highlighting challenges in correlating composition measured by surface- and near-surface-sensitive probes. TiO2 thin films grown by air-annealing the superelastic alloy Nitinol (TiO2/NiTi) crack under tensile mechanical strain, increasing the number of electrochemically active Ni sites (Ni site density) that are probed via voltammetric features corresponding to Ni3+/Ni2+ redox events. (Photo)electrochemical OER kinetics trend with Ni site density, with overpotentials and Tafel slopes decreasing for Ni site densities < 1013 Ni/cm2geo and asymptotically approaching the performance of the base NiTi substrate for Ni site densities > 1013 Ni/cm2geo. Photoelectrochemical fill factors follow similar Ni site density dependent trends. When probing unstrained TiO2/NiTi, Ni site densities are two orders of magnitude higher when comparing near-surface-sensitive techniques (e.g., X-ray photoelectron spectroscopy (XPS), time of flight secondary ion mass spectrometry (TOF-SIMS), and scanning transmission electron microscopy-energy dispersive X-ray spectroscopy (STEM-EDS)) to surface-sensitive electrochemical measurements. This result highlights the challenge of correlating kinetic performance with intrinsic surface properties of electrochemical interfaces in the presence of near-surface compositional heterogeneity. Further, it reinforces the importance of fundamental investigations of surfaces with well-controlled composition and structure and the need for physically grounded and self-consistent interpretation of multiple near-surface characterization techniques.

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

Flight Test of a Balloon-Borne Aeroseismometer

The azimuth of an incoming acoustic wave cannot be determined using microbarometers on a free floating balloon. A single observation of infrasound-induced acceleration on a large zero pressure balloon suggested that a motion sensing "aeroseismometer" could fill this gap. Here, a flight test of prototype balloon-borne aeroseismometers is presented. Two balloons, each carrying accelerometers and IMUs, recorded three sets of chemical explosions. The resulting balloon motion time series allows the explosive source to be geolocated. The future of this technology is discussed, along with a planned publication. Finally, recommendations and lessons learned from the campaign are discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Mass-selected ion–molecule cluster beam apparatus for ultrafast photofragmentation studies

We describe an apparatus for investigating the excited-state dissociation dynamics of mass-selected ion–molecule clusters by mass-resolving and detecting photofragment-ions and neutrals, in coincidence, using an ultrafast laser operating at high repetition rates. The apparatus comprises a source that generates ion–molecule clusters, a time-of-flight spectrometer, and a mass filter that selects the desired anions, and a linear-plus-quadratic reflectron mass spectrometer that discriminates the fragment anions after the femtosecond laser excites the clusters. The fragment neutrals and anions are then captured by two channeltron detectors. The apparatus performance is tested by measuring the photofragments: I – , CF 3 I – , and neutrals from photoexcitation of the ion–molecule cluster CF 3 I·I – using femtosecond UV laser pulses with a wavelength of 266 nm. Here, the experimental results are compared with our ground state and excited state electronic structure calculations as well as the existing results and calculations, with particular attention to the generation mechanism of the anion fragments and dissociation channels of the ion–molecule cluster CF 3 I·I – in the charge-transfer excited state.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗