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

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Groundbreaking Mars Sample Return for Science and Human Exploration

Partnerships between science and human exploration have recent heritage for the Moon (Lunar Precursor Robotics Program, LPRP) and nearearth objects (Exploration Precursor Robotics Program, xPRP). Both programs spent appreciable time and effort determining measurements needed or desired before human missions to these destinations. These measurements may be crucial to human health or spacecraft design, or may be desired to better optimize systems designs such as spacesuits or operations. Both LPRP and xPRP recommended measurements from orbit, by landed missions and by sample return. LPRP conducted the Lunar Reconnaissance Orbiter (LRO) and Lunar Crater Observation and Sensing Satellite (LCROSS) missions, providing high-resolution visible imagery, surface and subsurface temperatures, global topography, mapping of possible water ice deposits, and the biological effects of radiation [1]. LPRP also initiated a landed mission to provide dust and regolith properties, local lighting conditions, assessment of resources, and demonstration of precision landing [2]. This mission was canceled in 2006 due to funding shortfalls. For the Moon, adequate samples of rocks and regolith were returned by the Apollo and Luna programs to conduct needed investigations. Many near-earth asteroids (NEAs) have been observed from the Earth and several have been more extensively characterized by close-flying missions and landings (NEAR, Hayabusa, Rosetta). The current Joint Robotic Precursor Activity program is considering activities such as partnering with the New Frontiers mission OSIRIS-Rex to visit a NEA and return a sample to the Earth. However, a strong consensus of the NEO User Team within xPRP was that a dedicated mission to the asteroid targeted by humans is required [3], ideally including regolith sample return for more extensive characterization and testing on the Earth.

Cohen, Barbara↗
NASA NTRS2022

Defining and Characterizing Habitable Environments in Ocean World Systems

We explore the major characteristics of habitable environments on ocean worlds and how we can study them using Earth analogs and autonomous instru-mentation. Earth analogs for habitable regions on ocean worlds include interfaces (e.g., ice-water and seafloor-water boundaries), hydrothermal systems, and inside of ice, snow, clathrates, and crustal rocks. These analogs are best known in Earth’s ocean, but they may also exist on Earth’s land, particularly in polar regions. Importantly, ocean habitability requires that parts of the planetary body interact dynamically with the ocean. Probing the habitability of currently inaccessible extraterrestrial ocean worlds will require establishing biogenicity and abiotic reference frames for organic com-pounds on ocean worlds and technological advances to explore subsurface liquid water environments beyond Earth. Next generation studies of ocean world habitability will also require integrated modeling tools and coordination between the Earth/ocean sci-ences and the planetary science communities.

Jennifer B Glass↗
DOE OSTI2025

Ground-Truthing: Exploratory Borehole Characterization and Modeling to Verify and Expand Techno-Economic Evaluation of Earth Source Heat at Cornell U

This report documents the successful completion of DOE award DE-EE0009255: Ground- Truthing: Exploratory Borehole Characterization and Modeling to Verify and Expand Techno- Economic Evaluation of Earth Source Heat at Cornell University . Cornell University is evaluating the technical and economic feasibility of using deep direct-use (DDU) geothermal energy, referred to locally as Earth Source Heat (ESH), to serve as a renewable energy source for campus heating. To meet this objective, Cornell drilled an approximately 3-kilometer-deep exploratory borehole: the Cornell University Borehole Observatory (CUBO), or ESH-1. The team conducted an extensive suite of geophysical, hydrologic, thermal, mechanical, and geochemical measurements to evaluate subsurface conditions and geothermal development potential. This report summarizes the well drilling and testing tasks, findings, and conclusions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Geochemical and Microstructural Characterization of Shale Rock: A Workflow for Site Evaluation for Energy–Fluids Storage

Shales are a central component of petroleum systems, as source, seal, and unconventional reservoir rocks. Unlike traditional unconventional shale, a newly emerging Caney Shale play is regarded as an unconventional of unconventional shales (UUS), due to its high content of fine-grained materials, lower reservoir porosity, dominance of nanopores, and a scarcity of visible natural fractures. Other developed unconventional shales such as the Woodford and Barnett have larger average pore size, higher porosity, and extensive natural fractures at core scale that contribute to reservoir quality. In this work, the Caney Shale was cored in entirety to characterize its interbedded ductile and reservoir intervals and establish criteria for their recognition. Representative ductile and reservoir intervals known as D2 and R3, respectively, were selected for detailed analysis including variations in elemental composition, mineralogy, facies, and the presence of natural fractures at well and core scales using X-ray fluorescence, X-ray diffraction, and thin section and core description. Characteristics of microstructure and microgeochemistry at nano- and microscales are compared using field emission scanning electron microscopy with energy dispersive spectroscopy and lowpressure nitrogen adsorption isotherms with fractal dimension analysis. The ductile (detrital clay-rich) member D2 is characterized by higher concentrations of Ti and Al and lower Si, while the reservoir R3 (possibly biogenic silica-accumulated) is characterized by lower Ti and Al and higher Si. Eight mixed carbonate–siliciclastic facies are recognized, and R3 shows a higher heterogeneity of facies stacking and average fracture abundance than D2. Further, R3 shows a more microscopically heterogeneous fabric/texture of matrix and a higher microporosity than D2 that has a higher pore surface heterogeneity. A fundamental understanding of the compositional and microstructural characteristics of UUS and further ductile/reservoir intervals will allow for a better assessment of reservoir quality, more effective production of hydrocarbons, and optimized selection of safe caprocks in carbon sequestration and subsurface hydrogen storage.

58 GEOSCIENCES↗
NASA NTRS2020

Cluster Analysis of Thermal Icequakes Using the Seismometer to Investigate Ice and Ocean Structure (SIIOS): Implications for Ocean World Seismology

Ocean Worlds are of high interest to the planetary community due to the potential habitability of their subsurface oceans. Over the next few decades several missions will be sent to ocean worlds including the Europa Clipper, Dragonfly, and possibly a Europa lander. The Dragonfly and Europa lander missions will carry seismic payloads tasked with detecting and locating seismic sources. The Seismometer to Investigate Ice and Ocean Structure (SIIOS) is a NASA PSTAR funded project that investigates ocean world seismology using terrestrial analogs. The goals of the SIIOS experiment include quantitatively comparing flight-candidate seismometers to traditional instruments, comparing single-station approaches to a small-aperture array, and characterizing the local seismic environment of our field sites. Here we present an analysis of detected local events at our field sites at Gulkana Glacier in Alaska and in Northwest Greenland approximately 80 km North of Qaanaaq, Greenland. Both field sites passively recorded data for about two weeks. We deployed our experiment on Gulkana Glacier in September 2017 and in Greenland in June 2018. At Gulkana there was a nearby USGS weather station which recorded wind data. Temperature data was collected using the MERRA satellite. In Greenland we deployed our own weather station to collect temperature and wind data. Gulkana represents a noisier and more active environment. Temperatures fluctuated around 0°C, allowing for surface runoff to occur during the day. The glacier had several moulins, and during deployment we heard several rockfalls from nearby mountains. In addition to the local environment, Gulkana is located close to an active plate boundary (relative to Greenland). This meant that there were more regional events recorded over two weeks, than in Greenland. Greenland’s local environment was also quieter, and less active. Temperatures remained below freezing. The Greenland ice was much thicker than Gulkana (~850 m versus ~100 m) and our stations were above a subglacial lake. Both conditions can reduce event detections from basal motion. Lastly, we encased our Greenland array in an aluminum vault and buried it beneath the surface unlike our array in Gulkana where the instruments were at the surface and covered with plastic bins. The vault further insulated the array from thermal and atmospheric events.

Marusiak, A. G.↗
NASA NTRS2005

Construction and Resource Utilization Explorer: Regolith Characterization Using a Modular Instrument Suite and Analysis Tools

The Construction Resource Utilization Explorer (CRUX) is a technology maturation project for the U.S. National Aeronautics and Space Administration to provide enabling technology for lunar and planetary surface operations (LPSO). The CRUX will have 10 instruments, a data handling function (Mapper - with features of data subscription, fusion, interpretation, and publication through geographical information system [GIs] displays), and a decision support system DSS) to provide information needed to plan and conduct LPSO. Six CRUX instruments are associated with an instrumented drill to directly measure regolith properties (thermal, electrical, mechanical, and textural) and to determine the presence of water and other hydrogen sources to a depth of about 2 m (Prospector). CRUX surface and geophysical instruments (Surveyor) are designed to determine the presence of hydrogen, delineate near subsurface properties, stratigraphy, and buried objects over a broad area through the use of neutron and seismic probes, and ground penetrating radar. Techniques to receive data from existing space qualified stereo pair cameras to determine surface topography will also be part of the CRUX. The Mapper will ingest information from CRUX instruments and other lunar and planetary data sources, and provide data handling and display features for DSS output. CRUX operation will be semi-autonomous and near real-time to allow its use for either planning or operations purposes.

Moon↗
NASA NTRS2022

The VIPER Mission, a Resource-Mapping Mission on Another Celestial Body

The Volatiles Investigation Polar Exploration Rover (VIPER) mission is a lunar polar volatiles prospecting mission developed through NASA’s Science Mission Directorate (SMD) Planetary Science Division with launch in late 2023. VIPER’s mission goals are to (1) characterize the distribution and physical state of lunar polar water and other volatiles in lunar cold traps and regolith and (2)provide the data necessary for NASA to evaluate potential return of In-Situ Resource Utilization (ISRU) from lunar polar regions. VIPER will be optimized for lunar regions that receive prolonged periods of sunlight (short lunar nights). The mission duration will be more than 90 Earth days and result in a traverse distance of up to 20 km. The mission includes a rover-borne payload that can locate surface and near-subsurface volatiles, excavate, and analyze samples of the volatile-bearing regolith, and demonstrate the form, extractability, and usefulness of the materials.

The Volatiles Investigation Polar Exploration Rove↗
NASA NTRS2022

A Direct Detection LiDAR Detector for the Europa Lander Concept

NASA's Jet Propulsion Laboratory is developing a Europa Lander astrobiology mission concept to search for biosignatures within Europa’s subsurface. However, Europa’s rugged terrain presents a number of physical hazards for landing. MIT Lincoln Laboratory is designing a radiation-hardened real-time direct-detection LIDAR system at 532nm to aid with autonomous hazard avoidance and landing site selection for this Europa Lander concept. The detector for this system is a 2048x32 array of silicon Geiger-mode APDs and covers the required field-of-view in one dimension, removing the need for 2D stitching and enabling real-time data processing. Detector design, improvements for radiation tolerance and component characterization results are presented.

San Martin, Alejandro Miguel↗
NASA NTRS1999

MOLA-derived Roughness Data Used to Predict Surface Scattering for Mars Subsurface Radar Sounding

The Mars Express orbiter, to be launched by the European Space Agency in 2003, will carry a low-frequency radar sounding instrument, MARSIS (Mars Advanced Radar for Subsurface and Ionospheric Sounding). The primary goal of MARSIS is to map the distribution of water, both solid and (if present) liquid, in the upper several km of the martian crust. Detecting discontinuities in the crust, such as an ice-water transition, presents many challenges for a Mars orbital radar sounder. One challenge that must be overcome is the presence of radar scattering (echoes) from the surface of Mars, expected to be detected by the sounder antennas at the same time as any echoes aris-ing from subsurface interfaces. As the transmitted spherical wavefront spreads within the crust of Mars,. it also interacts with surface topography at off-nadir positions, creating a "clutter" signal that can mask the subsurface echoes. The MARSIS instrument will utilize Doppler filtering to limit the off-nadir clutter in the along-track direction, and a nadir-null secondary antenna to identify strong off-nadir clutter from the cross-track direction. To evaluate the effects of off-nadir surface clutter and the capability of these schemes to reduce the clutter, it is necessary to predict the range of scattering behavior that may be expected from martian surface topography. In this paper, we utilize Mars Orbital Laser Altimeter (MOLA) data from the current Mars Global Surveyor mission to characterize the topographic roughness of a variety of martian terrain types, at scales relevant to the MARSIS clutter problem. Segments of MOLA altimetry profiles are reduced to the topographic parameters rms slope and fractal dimension, which then are used as inputs to a near-nadir radar scattering model to predict the strength of the clutter signal. Additional information is contained in the original extended abstract.

Plaut, J. J.↗
NASA NTRS2024

Organic Products of Fatty Acid and Magnesium Sulfate Mixtures after Gamma Radiolysis: Implications for Missions to Europa

If ocean-derived materials are present at Europa’s surface, they would represent accessible records of ocean chemistry and habitability, but such materials would be further processed by the moon’s harsh radiation environment. In this study, saturated fatty acids were precipitated onto a Europa-relevant hydrated magnesium sulfate and exposed to gamma radiation doses up to 2 MGy at -196° C. Alkane chains, with carbon numbers one less than those of the starting fatty acids, were the most abundant radiolysis products in solvent and thermal extracts analyzed by gas chromatography mass spectrometry. Detections of monounsaturated fatty acids and combined radiolysis products were attributed to the experiment’s Europa-like parameters. Additionally, elevated concentrations of shorter-chain saturated fatty acids suggest that gamma radiation induced charge remote fragmentation of the alkyl chains of some starting fatty acids under these experimental conditions. Quantitation of fatty acid concentrations in the irradiated samples enabled the calculation of a radiolysis constant that indicated exposure to a 5 MGy dose of gamma radiation would have resulted in a ~90% loss of the initial fatty acid population. The samples were further studied by Raman spectroscopy and laser desorption and ionization mass spectrometry, which characterized the distribution of fatty acids and their radiolysis products on sulfate surfaces. The substantial loss of starting fatty acids typically seen with increasing radiation dose, along with the remarkable diversity of radiolysis products identified, suggest that the detection of fatty acids in irradiated sulfate deposits on Europa will be challenged by rapid destruction of any initial fatty acid populations and scrambling of their residual signals by a myriad of organic radiolysis products. If missions to Europa encounter sulfate deposits, targeting minimally irradiated units may still enable the detection of surviving fatty acid signatures that could inform about Europa’s subsurface chemistry and habitability.

James M T Lewis↗
DOE OSTI2024

Investigating Material Properties of Subsurface Rock Formations Modified by Engineering Mineral Precipitation (Final Scientific and Technical Report)

Montana State University’s (MSU) Energy Research Institute (ERI), in collaboration with the Center for Biofilm Engineering (CBE) and the Department of Civil Engineering (CE), has conducted a long‐term research program aimed at developing a novel cementing agent to address wellbore integrity and reduce the unwanted upward migration of fluids and greenhouse gases from the subsurface. The primary technology developed through this research program is known as ureolysis‐induced calcite precipitation (UICP), which harnesses bio‐chemical processes to precipitate calcium carbonate (CaCO 3 ). The same general process can also be called microbially-induced calcium carbonate precipitation (MICP) when microbes provide the process-catalyzing urease enzyme. Both terms are used in this report. Results have conclusively demonstrated that, if properly controlled, UICP can successfully seal fractures, high permeability zones, and compromised cement in the vicinity of wellbores and in nearby caprock. This technology has been successfully deployed to mitigate annular leakage in two test wells and over sixty commercial wells with a 100% success rate. This success in downhole deployment generates consideration of other subsurface applications where UICP could provide benefit to the energy sector, such as shale property modification for unconventional oil and gas recovery. The focus of this research project was to investigate fundamental material and mechanical properties of select shale cores and analyze how these properties change due to engineered mineral precipitation with the intent to control these properties to achieve a range of engineering objectives. Ultimately, the project aim was to identify valuable new areas where application of UICP might contribute to national energy security and environmental protection. The research workplan coupled UICP treatment of core samples, nuclear magnetic resonance (NMR) characterization, and mechanical strength testing at MSU with advanced X‐Ray micro-computed tomography (μCT) imaging and numerical modeling performed by collaborators at two national laboratories, the National Energy Technology Laboratory (NETL) and Lawrence Berkeley National Laboratory (LBNL). Experimental results are useful to inform geo-mechanical models which could be applied to predict mineralized rock formation behavior at field scale. Our findings suggest that NMR and μCT methods to detect and quantify biomineral formation in shale fractures are complementary and consistent with each other. Either could be used to estimate the volume of new mineral formed by UICP in shale fractures. The use of surfactants and guar gum to enhance biomineral precipitation in shale fractures merits further research. UICP can, under some conditions, increase the tensile strength of sealed shale fractures beyond that of the intact shale. These findings demonstrate that continued research in this area may be valuable to understanding and improving shale resource recovery techniques.

58 GEOSCIENCES↗
NASA NTRS1986

Quantitative flaw characterization with scanning laser acoustic microscopy

Surface roughness and diffraction are two factors that have been observed to affect the accuracy of flaw characterization with scanning laser acoustic microscopy. Inaccuracies can arise when the surface of the test sample is acoustically rough. It is shown that, in this case, Snell's law is no longer valid for determining the direction of sound propagation within the sample. The relationship between the direction of sound propagation within the sample, the apparent flaw depth, and the sample's surface roughness is investigated. Diffraction effects can mask the acoustic images of minute flaws and make it difficult to establish their size, depth, and other characteristics. It is shown that for Fraunhofer diffraction conditions the acoustic image of a subsurface defect corresponds to a two-dimensional Fourier transform. Transforms based on simulated flaws are used to infer the size and shape of the actual flaw.

Generazio, E. R.↗
NASA NTRS1986

Quantitative flaw characterization with scanning laser acoustic microscopy

Surface roughness and diffraction are two factors that have been observed to affect the accuracy of flaw characterization with scanning laser acoustic microscopy. In accuracies can arise when the surface of the test sample is acoustically rough. It is shown that, in this case, Snell's law is no longer valid for determining the direction of sound propagation within the sample. The relationship between the direction of sound propagation within the sample, the apparent flaw depth, and the sample's surface roughness is investigated. Diffraction effects can mask the acoustic images of minute flaws and make it difficult to establish their size, depth, and other characteristics. It is shown that for Fraunhofer diffraction conditions the acoustic image of a subsurface defect corresponds to a two-dimensional Fourier transform. Transforms based on simulated flaws are used to infer the size and shape of the actual flaw.

Generazio, E. R.↗
NASA NTRS1982

Probing the presently tenuous link between comets and the origin of life

The possibilities of using millimeter-wave technology to probe the subsurface processes of comets to investigate links between cometary materials and the origins of life are explored. It is noted that current theories hold that the necessities for life to begin comprise a fairly uniform temperature, the presence of a solvent to give materials mobility, and the presence of atoms which can form long chains of molecules. Consideration is given to two cometary nuclei models: a core with an equal amount of liquid water and lunar material, and a nucleus with equal amounts of frozen water ice and lunar material. Solutions to the radiative transfer equation for the two models are presented to characterize identifiable emissions using radiometric spectrometer instrumentation on a spacecraft. Particular species such as OH, CN, HCN, and glycine are expected to be detectable if present.

Hobbs, R. W.↗
DOE OSTI2024

Jackson, L., Johnson, M.B., Latrach, A., Grimes, D., Martinez, C., and Mclaughlin, J.F., 2024, Multidisciplinary geotechnical data collection, curation, and analysis for conformity with the regulatory framework for geologic carbon storage in Wyoming, USA: Geological Society of America Abstracts with Programs. Vol. 56, No. 5, 2024, doi: 10.1130/abs/2024AM-405024

Title: Multidisciplinary Geotechnical Data Collection, Curation, and Analysis for Conformity with the Regulatory Framework for Geologic Carbon Storage in Wyoming, USA. Text: Construction and operation of wells for geologic sequestration of carbon dioxide necessitate that they are permitted under the Environmental Protection Agency’s Underground Injection Control Class VI requirements. Class VI wells conform to stringent requirements to ensure long-term safety and integrity of the storage site and the protection of Underground Sources of Drinking Water. Entities pursuing Class VI permitting must provide comprehensive geologic site characterization, including regional geologic structure and stratigraphy, aquifer information, reservoir and confining unit geomechanical properties, geochemical analyses, assessment of trapping capacity and mechanisms, and a variety of other of multidisciplinary geotechnical data. The Wyoming Class VI Site Characterization Database Project is focused on developing a geologic site characterization database of geotechnical information, which has been compiled and verified from established, public databases/entities and scientific literature to expedite Class VI permitting in Sweetwater County within the Greater Green River Basin of southern Wyoming. The preliminary suite of compiled data from 14,000 wells includes 8,000 wells with logs and 7,250 wells with formation tops, ~70 wells with core data (e.g., X-Ray diffraction, petrographic, and petrophysical data), ~2,500 water analyses, ~740 seismic events data, and ~520 bottom-hole temperature measurements. Future work on—and stemming from—this project will include new core analyses, calculation and interpolation of subsurface temperature gradients, mechanical earth models, geochemical simulations, storage capacity estimation, stratigraphic column generation and correlation, and construction of subsurface maps. Finally, this work will help to inspire and facilitate subsurface data compilation and curation beyond Sweetwater County, Wyoming.

42 ENGINEERING↗
NASA NTRS2010

Ground Based Observation of Isotopic Oxygen in the Martian Atmosphere Using Infrared Heterodyne Spectroscopy

Infrared heterodyne spectra of isotopic CO2 in the Martian atmosphere were obtained using the Goddard Heterodyne Instrument for Planetary Wind and Composition, HIPWAC, which was interfaced with the 3-meter telescope at the NASA Infrared Telescope Facility- Spectra were colle cted at a resolution of lambda/delta lambda=10(exp 7). Absorption fea tures of the CO2 isotopologues have been identified from which isotop ic ratios of oxygen have been determined. The isotopic ratios O-17/O -16 and O-18/O-16 in the Martian atmosphere can be related to Martian atmospheric evolution and can be compared to isotopic ratios of oxyg en in the Earth's atmosphere. Isotopic carbon and oxygen are importa nt constraints on any theory for the erosion of the Martian primordia l atmosphere and the interaction between the atmosphere and surface o r subsurface chemical reservoirs. This investigation explored the pr esent abundance of the stable isotopes of oxygen in Mars' atmospheric carbon dioxide by measuring rovibrational line absorption in isotop ic species of CO2 using groundbased infrared heterodyne spectroscopy in the vicinity of the 9.6 micron and 10.6 micron CO2 lasing bands. T he target transitions during this observation were O-18 C-12 O-16 as well as O-178 C-12 O-16 and O-16 C-113 O-16 at higher resolving power of lambda/delta lambda=10(exp 7) and with high signal-to-noise ratio (longer integration time) in order to fully characterize the absorpt ion line profiles. The fully-resolved lineshape of both the strong n ormal-isotope and the weak isotopic CO2 lines were measured simultane ously in a single spectrum.

Smith, R. L.↗
NASA NTRS2005

Jupiter's Galilean Satellites

Jupiter's Galilean satellites Io, Europa, Ganymede and Callisto encompass some of the most bizarre environments known in the solar system, spanning that of Io, the most volcanically active and perhaps the most inhospitable body known, to Europa, currently the focus of a search for life in the solar system because of its subsurface ocean. One of the premier areas of scientific return in solar system research in the past 10 years, due in large part to the Galileo mission and observations by the Hubble Space Telescope, has been a remarkable increase in our knowledge about these satellites. Discoveries have been made of tenuous molecular oxygen atmospheres on Europa and Ganymede, a magnetic field and accompanying auroral emissions at the poles of Ganymede, and of ozone and sulfur dioxide embedded in the surfaces of Europa, Ganymede and Callisto. Io's unusual sulfur dioxide atmosphere, including its volcanic plumes and strong electrodynamic interaction with magnetospheric plasma, has finally been quantitatively characterized. This talk will present highlights from the recent discoveries and advances in our understanding of these fascinating objects.

McGrath, Melissa A.↗
DOE OSTI2026

From bulk to surface: Structure and dynamics of amorphous alumina from deep potential molecular dynamics

Understanding the atomic-scale structure and dynamics of amorphous oxide surfaces is essential for interpreting their chemical reactivity, mechanical stability, and interfacial behavior, yet direct experimental characterization remains challenging. We employ Deep Potential (DP) molecular dynamics to generate large-scale, ab initio -quality models of amorphous Al 2 O 3 bulk glasses and melt-quenched free surfaces, enabling a quantitative analysis of both structure and relaxation dynamics with statistical confidence inaccessible to direct ab initio simulation. The trained DP model reproduces experimental liquid and glass structure, captures the cooling-rate dependence of the bulk glass transition, and corrects systematic biases in the polyhedral populations predicted by widely used classical force fields. At the free surface, mass density recovers to bulk values over ~10 Å, while local coordination requires a slightly wider subsurface region to fully converge. The outermost layer is oxygen-enriched, exhibits altered polyhedral connectivity with contracted Al–O bonds, and hosts a broad population of under-coordinated motifs (notably AlO 3 and OAl 2 ) whose abundances are governed by glass stability. These under-coordinated surface motifs exhibit distinct vibrational signatures and occur as locally paired Lewis acid and Brønsted base sites consistent with bond-valence compensation, yet remain spatially dispersed rather than aggregating into extended clusters. Despite this pronounced structural heterogeneity, surface relaxation and the glass-transition temperature remain comparable to their bulk counterparts, suggesting that the disordered surface is kinetically stable once formed. Together, these results establish a molecular-level picture of amorphous alumina surfaces and demonstrate the capability of machine-learned potentials to resolve structure–property relationships in disordered oxide interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗