Search NASA⌕ Search

SEARCH · Search NASA

Results for “In situ surface analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

The Deuterium to Hydrogen Ratio in the Water that Formed the Yellowknife Bay Mudstones in Gale Crater

A suite of isotope ratios of light elements in the present martian atmosphere (13C/12C, 15N/14N, 18O/16O, 38Ar/36Ar, and D/H) are all substantially enriched in the heavy element suggesting atmospheric loss to space over the past billions of years with preferential loss of the lighter isotope from each pair. In situ measurements from MSL's Sample Analysis at Mars (SAM) instrument [e.g. 1,2,3] have considerably refined previous measurements from the Viking mass spectrometers [e.g. 4], from remote spectroscopic observations [e.g. 5,6], and from martian meteorite studies [e.g. 7,8]. The persistence of habitable environments such as the ancient Yellowknife Bay lake recently revealed by measurements from the Curiosity rover [9] depends on the surface temperatures and the duration of an atmosphere thicker than that at present. Current and planned measurements from orbit with the Mars Express and MAVEN missions respectively intend to study the processes of atmospheric escape including solar wind interaction, sputtering, thermal escape, and dissociative recombination, and determine or refine the current rate of atmospheric loss caused by these and other mechanisms. The goal of these programs is to understand the physical processes sufficiently well so that robust extrapolations over the past billions of years can be made D/H is measured by both the Tunable Laser Spectrometer (TLS) and the Quadrupole Mass Spectrometer (QMS) of the SAM suite. to predict the atmospheric and surface conditions on early Mars. However, the study of the history of martian atmospheric evolution will be greatly facilitated if we are able to also directly measure the isotopic composition of volatiles captured in rocks that are representative of the ancient atmosphere. To date, D/H is one of the most promising candidates for this study since water is the most abundant volatile thermally released from the Yellowknife Bay phylosilicates discovered by the SAM and CheMin experiments of MSL and its

Yellowknife Bay↗
DOE OSTI2020

Insights into the Promotion with Ru of Co/TiO 2 Fischer–Tropsch Catalysts: An In Situ Spectroscopic Study

Although ruthenium is a common promoter for cobalt-based Fischer–Tropsch synthesis (FTS) catalysts, the origin of Ru promotion and promoter concentration effects remains controversial. To gain a fundamental understanding of the Ru promotion effects, we herein performed an in situ spectroscopic study by X-ray absorption spectroscopy (XAS), Fourier transform infrared (FTIR), and X-ray photoelectron spectroscopy (XPS)–Auger of working Co/TiO 2 catalysts (ca. 12 wt % Co, pure anatase TiO2 phase) promoted with different amounts of Ru (0.1–1.2 wt %). At typical FTS conditions (220 °C, 20 bar, H 2 /CO = 2), the activity in terms of both metal-time-yield (MTY) and initial turnover frequency (TOF) was maximized for the catalysts promoted with 0.1–0.2 wt % Ru, for which most of the Ru was alloyed with Co in bimetallic nanoparticles. The analysis of Auger electrons evidenced that the lower (apparent) TOF of accessible Co0 sites in the absence of Ru and at Ru concentrations beyond 0.2 wt % is bridged to the development, under reaction conditions, of FTS-inactive cobalt carbide (CoC x ) and cobalt oxide (CoO x ) patches, respectively, at the outermost surface of cobalt crystallites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

In Situ Evaluation of Calcium Phosphate Nucleation Kinetics and Pathways during Intra- and Extrafibrillar Mineralization of Collagen Matrices

Calcium phosphate (CaP) nanocrystals nucleate and grow in intrafibrillar and/or extrafibrillar spaces of collagen fibrils during the mineralization of bones and teeth. Little is known about the early stages of CaP nucleation and distribution in fibrillar matrices, despite their significant influence on the physical and chemical structures of tissue-level constructs. Using in situ small angle X-ray scattering (SAXS), we examined the nucleation and growth of CaP within collagen matrices and elucidated how a nucleation inhibitor, polyaspartic acid (pAsp), governs mineralization kinetics and pathways at multiple length scales. In situ SAXS analysis clearly revealed that nucleation sites, kinetically-controlled by the nucleation inhibitor, determined the pathways of CaP morphological transformation. Mineralization with pAsp led to intrafibrillar CaP plates with a spatial distribution gradient through the depth of the matrix. Mineralization without pAsp led initially to spherical aggregates of CaP in the entire extrafibrillar spaces. With time, the spherical aggregates transformed into plates at the outermost surface of the collagen matrix, preventing intrafibrillar mineralization inside. The results illuminate mineral nucleation kinetics and real-time nanoparticle distributions within organic matrices in solutions containing body fluid components. Because the macroscale mechanical properties of collagen matrices depend on their mineral content, phase, and arrangement at the nanoscale, this study contributes to better design and fabrication of biomaterials for regenerative medicine.

Kim, Doyoon↗
DOE OSTI2025

In Situ Observation of Ion Migration in a Ferroelectric Ionic Conductor Rb-KTP during Thermal Annealing

Ion exchange in Rb-doped KTiOPO 4 has facilitated significant advancements in ferroelectric domain engineering, yet understanding the underlying mechanisms remains in its infancy. We perform time-of-flight secondary ion mass spectrometry analysis on multiple periodically ion-exchanged and periodically poled Rb-doped KTiOPO 4 samples under different temperatures and annealing durations. The results are compared between annealing in air, which involved ex situ annealing before periodic poling, and vacuum annealing conducted in situ after periodic poling. The Rb + diffusion profile after periodic ion exchange forms a tooth-shaped pattern. We show that in situ annealing causes a surface pinning effect on the nonpolar face, limiting Rb + migration along the polar axis at the surface. Once the pinned layer is removed through milling, the underlying Rb + diffusion is distinctively different from the surface. Additionally, the rate of Rb + diffusion during in situ annealing is linear, while the periodic domain structures remain stable after annealing. These results contribute to understanding the ionic diffusion process in a ferroelectric ionic conductor and using ion exchange to tailor the linear and nonlinear properties of KTiOPO 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the structural stability of crystalline ceria phases in undoped and acceptor-doped ceria materials under in situ reduction conditions

The reduction of pure and Sm-doped ceria in hydrogen has been studied by synchrotron-based in situ X-ray diffraction to eventually prove or disprove the presence of crystalline cerium hydride (CeH x ) phases and the succession of potential structural phase (trans)formations of reduced cerium oxide phases during heating-cooling cycles up to 1273 K. Despite a recent report on the existence of bulk and surface CeH x phases during reductive treatment of pure CeO 2 in H 2 , structural analysis by Rietveld refinement as well as additional 1 H-NMR spectroscopy did not reveal the presence of any crystalline CeH x phase. Rather, a sequence of phase transformations during the re-cooling process in H 2 has been observed. In both samples, the reduced/defective fluorite lattice undergoes at first a transformation into a bixbyite-type lattice with a formal stoichiometry Ce 0.58 3+ Ce 0.42 4+ O 1.71 and Sm 0.15 3+ Ce 0.39 3+ Ce 0.46 4+ O 1.73 , before a transformation into rhombohedral Ce 7 O 12 takes place in pure CeO 2 . This phase is clearly absent for the Sm-doped material. Finally, a triclinic Ce 11 O 20 phase appears for both materials, which can be recovered to room temperature, and on which a phase mixture of bixbyite Ce 0.66 3+ Ce 0.34 4+ O 1.67 , rh-Ce 0.60 3+ Ce 0.40 4+ O 1.70 and tri-Ce 0.48 3+ Ce 0.52 4+ O 1.76 (for pure CeO 2 ) or bixbyite Sm 0.15 3+ Ce 0.47 3+ Ce 0.38 4+ O 1.69 and tri-Sm 0.15 3+ Ce 0.31 3+ Ce 0.54 4+ O 1.77 (for Sm-doped CeO 2 ) prevails. The absence of the rhombohedral phase indicates that Sm doping leads to the stabilization of the bixbyite phase over the rhombohedral one at this particular oxygen vacancy concentration. It is worth noting that recent work proves that hydrogen is indeed incorporated within the structures during the heat treatments, but under the chosen experimental conditions it has apparently no effect on the salient structural principles during reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synergy between Ni and Fe in NiFe aerogel oxygen evolution reaction catalyst: in situ 57 Fe Mössbauer and X-ray absorption spectroscopy studies

Anion-exchange-membrane water electrolyzers (AEMWE) for hydrogen production have attracted interest because cost-effective Ni- and Fe-based catalysts can be used for the oxygen evolution reaction (OER). Although NiFe oxide/hydroxide-based catalysts have been extensively studied, the role of Fe and its chemical state during OER are not well understood, with inconsistent findings across different studies. In this work, we combined in situ 57 Fe Mössbauer (MS) and X-ray absorption spectroscopy (XAS) to investigate the chemical states of Fe and Ni and elucidate their synergy during the OER. A NiFe (8 : 1 molar ratio) aerogel catalyst with high surface area, nano crystallinity, and high performance in AEMWE was used. We show that both Fe and Ni are oxidized during anodic polarization, and the potential for the change of oxidation states correlates well with the onset of the OER. In situ MS shows that 80–90% of Fe 3+ becomes tetravalent at OER potentials and remains so even after the potential is lowered below OER onset. Analysis of in situ XAS results suggests full Fe incorporation into Ni hydroxide. At OER potentials, lattice contraction indicates high oxidation states for both Ni and Fe. Upon returning to lower potentials, a portion of the Fe remains in its more oxidized form which corroborates the in situ MS findings. Results from this work affirm the importance of high-valent Ni and Fe in promoting the OER. Ni and Fe exhibit synergy during OER and the aerogel's unique nanomorphology leads to high OER activity.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Use of In Situ and Airborne Multiangle Data to Assess MODIS- and Landsat-based Estimates of Surface Albedo

The quantification of uncertainty of global surface albedo data and products is a critical part of producing complete, physically consistent, and decadal land property data records for studying ecosystem change. A current challenge in validating satellite retrievals of surface albedo is the ability to overcome the spatial scaling errors that can contribute on the order of 20% disagreement between satellite and field-measured values. Here, we present the results from an uncertain ty analysis of MODerate Resolution Imaging Spectroradiometer (MODIS) and Landsat albedo retrievals, based on collocated comparisons with tower and airborne multi-angular measurements collected at the Atmospheric Radiation Measurement Program s (ARM) Cloud and Radiation Testbed (CART) site during the 2007 Cloud and Land Surface Interaction Campaign (CLAS33 IC 07). Using standard error propagation techniques, airborne measurements obtained by NASA s Cloud Absorption Radiometer (CAR) were used to quantify the uncertainties associated with MODIS and Landsat albedos across a broad range of mixed vegetation and structural types. Initial focus was on evaluating inter-sensor consistency through assessments of temporal stability, as well as examining the overall performance of satellite-derived albedos obtained at all diurnal solar zenith angles. In general, the accuracy of the MODIS and Landsat albedos remained under a 10% margin of error in the SW(0.3 - 5.0 m) domain. However, results reveal a high degree of variability in the RMSE (root mean square error) and bias of albedos in both the visible (0.3 - 0.7 m) and near-infrared (0.3 - 5.0 m) broadband channels; where, in some cases, retrieval uncertainties were found to be in excess of 20%. For the period of CLASIC 07, the primary factors that contributed to uncertainties in the satellite-derived albedo values include: (1) the assumption of temporal stability in the retrieval of 500 m MODIS BRDF values over extended periods of cloud-contaminated observations; and (2) the assumption of spatial 45 and structural uniformity at the Landsat (30 m) pixel scale.

Roman, Miguel O.↗
NASA NTRS2011

Automated Miniaturized Instrument for Space Biology Applications and the Monitoring of the Astronauts Health Onboard the ISS

Human space travelers experience a unique environment that affects homeostasis and physiologic adaptation. The spacecraft environment subjects the traveler to noise, chemical and microbiological contaminants, increased radiation, and variable gravity forces. As humans prepare for long-duration missions to the International Space Station (ISS) and beyond, effective measures must be developed, verified and implemented to ensure mission success. Limited biomedical quantitative capabilities are currently available onboard the ISS. Therefore, the development of versatile instruments to perform space biological analysis and to monitor astronauts' health is needed. We are developing a fully automated, miniaturized system for measuring gene expression on small spacecraft in order to better understand the influence of the space environment on biological systems. This low-cost, low-power, multi-purpose instrument represents a major scientific and technological advancement by providing data on cellular metabolism and regulation. The current system will support growth of microorganisms, extract and purify the RNA, hybridize it to the array, read the expression levels of a large number of genes by microarray analysis, and transmit the measurements to Earth. The system will help discover how bacteria develop resistance to antibiotics and how pathogenic bacteria sometimes increase their virulence in space, facilitating the development of adequate countermeasures to decrease risks associated with human spaceflight. The current stand-alone technology could be used as an integrated platform onboard the ISS to perform similar genetic analyses on any biological systems from the tree of life. Additionally, with some modification the system could be implemented to perform real-time in-situ microbial monitoring of the ISS environment (air, surface and water samples) and the astronaut's microbiome using 16SrRNA microarray technology. Furthermore, the current system can be enhanced substantially by combining it with other technologies for automated, miniaturized, high-throughput biological measurements, such as fast sequencing, protein identification (proteomics) and metabolite profiling (metabolomics). Thus, the system can be integrated with other biomedical instruments in order to support and enhance telemedicine capability onboard ISS. NASA's mission includes sustained investment in critical research leading to effective countermeasures to minimize the risks associated with human spaceflight, and the use of appropriate technology to sustain space exploration at reasonable cost. Our integrated microarray technology is expected to fulfill these two critical requirements and to enable the scientific community to better understand and monitor the effects of the space environment on microorganisms and on the astronaut, in the process leveraging current capabilities and overcoming present limitations.

Human space travelers↗
NASA NTRS2015

Opportunities and Strategies for Testing and Infusion of ISRU in the Evolvable Mars Campaign

HE Evolvable Mars Campaign (EMC) is developing the plans and systems needed for a robust, evolutionary strategy to explore cis-lunar space, the Mars sphere of influence (including the moons of Mars), and the surface of Mars. Recently, the emphasis of NASA's plans has changed to focus on the prolonged pioneering of space, rather than focusing on a single crewed mission as the ultimate goal. A sustainable, pioneering vision of space would include in-situ resource utilization (ISRU) in multiple forms and at multiple destinations: atmospheric capture of Mars CO2 and/or volatiles for consumables and propellants, regolith for bulk and refined materials, and in-situ manufacturing at the Moon, Mars, and other bodies. These resources would enable a reduction in the logistical needs from Earth for future missions, thus preparing the way for a sustained presence on Mars. Although the EMC initially relies only on propellant production for the Mars ascent vehicle via ISRU, one of its primary objectives is to prospect at every EMC destination to understand the potential for ISRU; this will permit true pioneering to be enabled after the first crew arrives at Mars. Recent and ongoing analysis has considered the possible prospecting measurements that can be performed at the asteroid returned to cis-lunar space by the Asteroid Robotic Redirect Mission (ARRM), at the lunar surface, at Phobos and Deimos, and on the surface of Mars to identify available resources for future use. These opportunities will be available on missions currently in the Evolvable Mars Campaign construct, and will also facilitate the testing and demonstration of resource acquisition, processing, storage, and useage technologies that can play a role in later missions. This analysis has also led to the identification of several objectives that should be targeted during the missions building up to and including the initial crewed missions. These objectives are mapped to strategies for incorporating ISRU to support resource cycle closure and reduce mass requirements from Earth. This analysis has yielded engineering constraints, based on ISRU, that impact the evaluation of landing sites for missions to the surface of Mars. The terrain of a particular site must be sufficiently flat to permit ISRU systems, as well as ancillary systems such as power and propellant storage tanks, to be landed, moved into position, set up, and operated. Water must be accessible in a form that can be acquired via ISRU, in quantities that align with demands. The chosen method of acquiring and processing water should align with the available resources at a particular site, and that site must have sufficient quantities to meet the requirements (based on crew consumables and propellant demands). Lower altitude landing sites are preferred, as the increase in density can facilitate carbon dioxide acquisition from the atmosphere. Another preference is for sites with a greater ability to move regolith for civil engineering purposes; for example, this would be conducive to both bulk regolith uses (such as the manufacture of berms), and processed regolith uses (such as microwave sintering).

Evolvable Mars Campaign↗
NASA NTRS1986

Analysis of airborne Doppler lidar, Doppler radar and tall tower measurements of atmospheric flows in quiescent and stormy weather

The first experiment to combine airborne Doppler Lidar and ground-based dual Doppler Radar measurements of wind to detail the lower tropospheric flows in quiescent and stormy weather was conducted in central Oklahoma during four days in June-July 1981. Data from these unique remote sensing instruments, coupled with data from conventional in-situ facilities, i.e., 500-m meteorological tower, rawinsonde, and surface based sensors, were analyzed to enhance understanding of wind, waves and turbulence. The purposes of the study were to: (1) compare winds mapped by ground-based dual Doppler radars, airborne Doppler lidar, and anemometers on a tower; (2) compare measured atmospheric boundary layer flow with flows predicted by theoretical models; (3) investigate the kinematic structure of air mass boundaries that precede the development of severe storms; and (4) study the kinematic structure of thunderstorm phenomena (downdrafts, gust fronts, etc.) that produce wind shear and turbulence hazardous to aircraft operations. The report consists of three parts: Part 1, Intercomparison of Wind Data from Airborne Lidar, Ground-Based Radars and Instrumented 444 m Tower; Part 2, The Structure of the Convective Atmospheric Boundary Layer as Revealed by Lidar and Doppler Radars; and Part 3, Doppler Lidar Observations in Thunderstorm Environments.

Bluestein, H. B.↗
DOE OSTI2025

Elastomeric Nanocomposite with Solvent‐Free, One Step, In Situ Shear Exfoliation of Graphite to Graphene

A graphene nanoflake (GNF)‐enhanced elastomeric nanocomposite (G‐EMC) is fabricated following an innovative, cost‐effective, single‐step, in situ shear exfoliation (ISE) method from low‐cost bulk material, graphite, where uniform mixing happens simultaneously within the elastomer matrix. Electron microscopy, atomic force microscopy, and photo‐induced force microscopy results show good dispersion of GNFs with exfoliation to a few layers and uniform distribution in the elastomer matrix. X‐ray photoelectron spectroscopy analysis shows less than 1% oxygen‐containing functional groups/impurity, enhanced bonding through the formation of edge sites as fracture occurs across the GNF basal plane, and pi‐pi interactions with newly exfoliated planar basal plane surfaces of the GNFs. Raman spectroscopy results confirm the formation of GNFs with only a few layers of graphene formed by the ISE process. Fabricated 10 wt.% G‐EMC nanocomposites show a 400%–500% increase in strength and fracture toughness. And 35 wt.% G‐EMCs provide an electrical conductivity of 25.64 S m −1 and a sensor gauge factor of 45. The resulting intrinsic piezo resistivity of the fabricated nanocomposite has been exploited to fabricate a multi‐functional wired and wireless sensor for detecting different body movements, speech, human vital functions, solvents, and biomolecules.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The early hydration of OPC investigated by in-situ XRD, heat flow calorimetry, pore water analysis and 1H NMR: Learning about adsorbed ions from a complete mass balance approach

In-situ XRD, heat flow calorimetry, pore water analysis and {sup 1}H NMR were used in order to gain more detailed understanding for cement hydration within the first hours of hydration. All methods used show very satisfying accordance. All information gained from the different methods were used in order to calculate absolute mass balance for several ions in order to get an idea about ionic reservoirs adsorbed on surfaces during cement hydration. Sulfate and aluminum adsorption show impact on sulfate depletion, calcium does not.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Insight into Sulfur Reactions in Li–S Batteries

Understanding and controlling the sulfur reduction species (Li2Sx, 1 ≤ x ≤ 8) under realistic battery conditions are essential for the development of advanced practical Li–S cells that can reach their full theoretical capacity. However, it has been a great challenge to probe the sulfur reduction intermediates and products because of the lack of methods. This work employed various ex situ and in situ methods to study the mechanism of the Li–S redox reactions and the properties of Li2Sx and Li2S. Synchrotron high-energy X-ray diffraction analysis used to characterize dry powder deposits from lithium polysulfide solution suggests that the new crystallite phase may be lithium polysulfides. The formation of Li2S crystallites with a polyhedral structure was observed in cells with both the conventional (LiTFSI) electrolyte and polysulfide-based electrolyte. In addition, an in situ transmission electron microscopy experiment observed that the lithium diffusion to sulfur during discharge preferentially occurred at the sulfur surface and formed a solid Li2S crust. This may be the reason for the capacity fade in Li–S cells (as also suggested by EIS experiment in Supporting Information). The results can be a guide for future studies and control of the sulfur species and meanwhile a baseline for approaching the theoretical capacity of the Li–S battery.

Coulombic efficiency↗
NASA NTRS2005

Variability of particulate organic carbon concentration in the north polar Atlantic based on ocean color observations with Sea-viewing Wide Field-of-view Sensor (SeaWiFS)

We use satellite data from Sea-viewing Wide Field-of-view Sensor (SeaWiFS) to investigate distributions of particulate organic carbon (POC) concentration in surface waters of the north polar Atlantic Ocean during the spring summer season (April through August) over a 6-year period from 1998 through 2003. By use of field data collected at sea, we developed regional relationships for the purpose of estimating POC from remote-sensing observations of ocean color. Analysis of several approaches used in the POC algorithm development and match-up analysis of coincident in situ derived and satellite-derived estimates of POC resulted in selection of an algorithm that is based on the blue-to-green ratio of remote-sensing reflectance R(sub rs) (or normalized water-leaving radiance L(sub wn)). The application of the selected algorithm to a 6-year record of SeaWiFS monthly composite data of L(sub wn) revealed patterns of seasonal and interannual variability of POC in the study region. For example, the results show a clear increase of POC throughout the season. The lowest values, generally less than 200 mg per cubic meters, and at some locations often less than 50 mg per cubic meters, were observed in April. In May and June, POC can exceed 300 or even 400 mg per cubic meters in some parts of the study region. Patterns of interannual variability are intricate, as they depend on the geographic location within the study region and particular time of year (month) considered. By comparing the results averaged over the entire study region and the entire season (April through August) for each year separately, we found that the lowest POC occurred in 2001 and the highest POC occurred in 2002 and 1999.

Stramska, Malgorzata↗
NASA NTRS2023

Towards an Indian Land Data Assimilation System (ILDAS): A Coupled Hydrologic-Hydraulic System for Water Balance Assessments

Effective management of water resources requires reliable estimates of land surface states and fluxes, including water balance components. But most land surface models run in uncoupled mode and do not produce river discharge at catchment scales to be useful for water resources management applications. Such integrated systems are also rare over India where hydrometeorological extremes have wreaked havoc on the economy and people. So, an Indian Land Data Assimilation System (ILDAS) with a coupled land surface and a hydrodynamic model has been developed and driven by multiple meteorological forcings (0.1°, daily) to estimate land surface states, channel discharge, and floodplain inundation. ILDAS benefits from an integrated framework as well as the largest suite of observation records collected over India and has been used to produce a reanalysis product for 1981–2021 using four forcing datasets, namely, Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2), Climate Hazards Group InfraRed Precipitation with Station data (CHIRPS), ECMWF’s ERA-5, and Indian Meteorological Department (IMD) gridded precipitation. We assessed the uncertainty and bias in these precipitation datasets and validated all major components of the terrestrial water balance, i.e., surface runoff, soil moisture, terrestrial water storage anomalies, evapotranspiration, and streamflow, against a combination of satellite and in situ observation datasets. Our assessment shows that ILDAS can represent the hydrological processes reasonably well over the Indian landmass with IMD precipitation showing the best relative performance. Evaluation against ESA-CCI soil moisture shows that MERRA-2 based estimates outperform the others, whereas ERA-5 performs best in simulating evapotranspiration when evaluated against MODIS ET. Evaluations against observed records show that CHIRPS-based estimates have the highest performance in reconstructing surface runoff and streamflow. Once operational, this system will be useful for supporting transboundary water management decision making in the region.

Indian Land Data Assimilation System (ILDAS)↗
DOE OSTI2021

Impact of exposure to brine/CO 2 on the mechanical and transport properties of the Mt. Simon Sandstone

When sandstone rocks are exposed to CO 2 -saturated brine, their transport and mechanical properties can, potentially, change due to chemical reactions as a result of such exposure. This paper investigates changes in the flow-through characteristics, porosity, and the mechanical properties of Mt. Simon Sandstone samples caused by such exposure to brine/CO 2 . A core, extracted from the Mt. Simon formation, was first characterized for its porosity and relevant transport properties, and it was then aged for over 500 hr in CO 2 -saturated brine at formation-relevant pressure, temperature, and confining stress conditions. The deformation of the sample was measured in situ during aging via strain gauges attached to the core's surface. Following the aging experiment, the sample's porosity and transport properties were again analyzed. Our experiments show that both the porosity and permeability of the Mt. Simon sandstone sample increase due to exposure to brine/CO 2 , with the impact on permeability being more significant. The deformation measurements employing strain gauges indicate a weakening of the core material. Analysis of the composition of the brine at the conclusion of the testing reveals changes, specifically, an increase in the concentration of several of the cations. These changes are indicative of mineral/clay dissolution, consistent with the porosity, permeability, and strain gauge measurements.

58 GEOSCIENCES↗
DOE OSTI2022

Atomic-Scale STEM Analysis Shows Structural Changes of Au–Pd Nanoparticles in Various Gaseous Environments

We report dynamical restructuring effects in free-standing Au 0.75 Pd 0.25 nanoparticles occurring in gaseous environments at elevated temperatures. The freshly prepared sample was found to have a core–shell structure with a Pd-rich phase on the surface. The evolution of sample composition and morphology under exposure to 1 bar of pure gases, namely O 2 , H 2 , air, CO, and CO 2 , at different temperatures was studied using in situ scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDS). We observed sharper facets on the surface of the particles under O 2 or air at 400 °C. Small islands of Pd were present on the surface, although some Pd was redistributed inside the bulk when the temperature was increased under O 2 . Subtle changes in surface roughness were noted when O 2 was substituted with H 2 at 400 °C, an observation correlated to density functional theory (DFT) calculations. The particles lost clean surface facets when CO was introduced at room temperature and at 200 °C. No substantial changes could be observed after exposure to CO 2 at 250 °C. The adsorption of CO molecules on the surface modifies the surface of the particles and decreases the facet prevalence. Furthermore, these in situ observations show how gases can induce subtle modification of the surface of nanocatalysts, potentially impacting their chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Spontaneous Strain Buffer Enables Superior Cycling Stability in Single-Crystal Nickel-Rich NCM Cathode

The capacity degredation in layered Ni-rich LiNixCoyMnzO2 (x >= 0.8) cathode largely originated from drastic surface reactions and intergranular cracks in polycrystalline particles. Herein, we report a highly stable single- crystal LiNi0.83Co0.12Mn0.05O2 cathode material, which can deliver a high specific capacity (similar to 209 mAh g(-1) at 0.1 C, 2.8-4.3 V) and meanwhile display excellent cycling stability (>96% retention for 100 cycles and >93% for 200 cycles). By a combination of in situ X-ray diffraction and in situ pair distribution function analysis, an intermediate monoclinic distortion and irregular H3 stack are revealed in the single crystals upon charging-discharging processes. These structural changes might be driven by unique Li-intercalation kinetics in single crystals, which enables an additional strain buffer to reduce the cracks and thereby ensure the high cycling stability.

in situ synchrotron characterization↗