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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 217 records · Page 12

Biomedical Monitoring By A Novel Noncontact Radio Frequency Technology Project

The area of Space Health and Medicine is one of the NASA's Space Technology Grand Challenges. Space is an extreme environment which is not conducive to human life. The extraterrestrial environment can result in the deconditioning of various human physiological systems and thus require easy to use physiological monitoring technologies in order to better monitor space crews for appropriate health management and successful space missions and space operations. Furthermore, the Space Technology Roadmap's Technology Area Breakdown Structure calls for improvements in research to support human health and performance (Technology Area 06). To address these needs, this project investigated a potential noncontact and noninvasive radio frequency-based technique of monitoring central hemodynamic function in human research subjects in response to orthostatic stress.

Portfolio↗

An SU(5) × U(1)' SUSY GUT with a “vector-like chiral” fourth family to fit all low energy data, including the muon g – 2

An additional generation of quarks and leptons and their SUSY counterparts, which are vector-like under the Standard Model gauge group but are chiral with respect to the new U(1) 3–4 gauge symmetry, are added to the Minimal Supersymmetric Standard Model (MSSM). We show that this model is a GUT and unifies the three SM gauge couplings and also the additional U(1) 3–4 coupling at a GUT scale of ≈ 5 × 10 16 GeV and explains the experimentally observed deviation of the muon g – 2. We also fit the quark flavor changing processes consistent with the latest experimental data and look at the effect of the new particles on the W boson mass without obviously conflicting with the observed masses of particles, CKM matrix elements, neutrino mixing angles, their mass differences, and the lepton-flavor violating bounds. This model predicts sparticle masses less than 25 TeV, with a gluino mass ≈ 2.3 – 3 TeV consistent with constraints, and one of the neutralinos as the LSP with a mass of ≈ 480 – 580 GeV, which is a potential dark matter candidate. The model is string theory motivated and predicts the VL quarks, leptons, a massive Z' and two Dirac neutrinos at the TeV scale and the branching ratios of μ → eγ, τ → μγ and τ → 3μ with BR(μ → eγ) within reach of future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Estimating Long Term Surface Soil Moisture in the GCIP Area From Satellite Microwave Observations

Soil moisture is an important component of the water and energy balances of the Earth's surface. Furthermore, it has been identified as a parameter of significant potential for improving the accuracy of large-scale land surface-atmosphere interaction models. However, accurate estimates of surface soil moisture are often difficult to make, especially at large spatial scales. Soil moisture is a highly variable land surface parameter, and while point measurements are usually accurate, they are representative only of the immediate site which was sampled. Simple averaging of point values to obtain spatial means often leads to substantial errors. Since remotely sensed observations are already a spatially averaged or areally integrated value, they are ideally suited for measuring land surface parameters, and as such, are a logical input to regional or larger scale land process models. A nine-year database of surface soil moisture is being developed for the Central United States from satellite microwave observations. This region forms much of the GCIP study area, and contains most of the Mississippi, Rio Grande, and Red River drainages. Daytime and nighttime microwave brightness temperatures were observed at a frequency of 6.6 GHz, by the Scanning Multichannel Microwave Radiometer (SMMR), onboard the Nimbus 7 satellite. The life of the SMMR instrument spanned from Nov. 1978 to Aug. 1987. At 6.6 GHz, the instrument provided a spatial resolution of approximately 150 km, and an orbital frequency over any pixel-sized area of about 2 daytime and 2 nighttime passes per week. Ground measurements of surface soil moisture from various locations throughout the study area are used to calibrate the microwave observations. Because ground measurements are usually only single point values, and since the time of satellite coverage does not always coincide with the ground measurements, the soil moisture data were used to calibrate a regional water balance for the top 1, 5, and 10 cm surface layers in order to interpolate daily surface moisture values. Such a climate-based approach is often more appropriate for estimating large-area spatially averaged soil moisture because meteorological data are generally more spatially representative than isolated point measurements of soil moisture. Vegetation radiative transfer characteristics, such as the canopy transmissivity, were estimated from vegetation indices such as the Normalized Difference Vegetation Index (NDVI) and the 37 GHz Microwave Polarization Difference Index (MPDI). Passive microwave remote sensing presents the greatest potential for providing regular spatially representative estimates of surface soil moisture at global scales. Real time estimates should improve weather and climate modelling efforts, while the development of historical data sets will provide necessary information for simulation and validation of long-term climate and global change studies.

Owe, Manfred↗

Small Solar Electric Propulsion Spacecraft Concept for Near Earth Object and Inner Solar System Missions

Near Earth Objects (NEOs) and other primitive bodies are exciting targets for exploration. Not only do they provide clues to the early formation of the universe, but they also are potential resources for manned exploration as well as provide information about potential Earth hazards. As a step toward exploration outside Earth's sphere of influence, NASA is considering manned exploration to Near Earth Asteroids (NEAs), however hazard characterization of a target is important before embarking on such an undertaking. A small Solar Electric Propulsion (SEP) spacecraft would be ideally suited for this type of mission due to the high delta-V requirements, variety of potential targets and locations, and the solar energy available in the inner solar system.Spacecraft and mission trades have been performed to develop a robust spacecraft design that utilizes low cost, off-the-shelf components that could accommodate a suite of different scientific payloads for NEO characterization. Mission concepts such as multiple spacecraft each rendezvousing with different NEOs, single spacecraft rendezvousing with separate NEOs, NEO landers, as well as other inner solar system applications (Mars telecom orbiter) have been evaluated. Secondary launch opportunities using the Expendable Secondary Payload Adapter (ESPA) Grande launch adapter with unconstrained launch dates have also been examined.

Solar Electric Propulsion (SEP)↗

Immobile Robots: AI in the New Millennium

A new generation of sensor rich, massively distributed, autonomous systems are being developed that have the potential for profound social, environmental, and economic change. These include networked building energy systems, autonomous space probes, chemical plant control systems, satellite constellations for remote ecosystem monitoring, power grids, biosphere-like life support systems, and reconfigurable traffic systems, to highlight but a few. To achieve high performance, these immobile robots (or immobots) will need to develop sophisticated regulatory and immune systems that accurately and robustly control their complex internal functions. To accomplish this, immobots will exploit a vast nervous system of sensors to model themselves and their environment on a grand scale. They will use these models to dramatically reconfigure themselves in order to survive decades of autonomous operations. Achieving these large scale modeling and configuration tasks will require a tight coupling between the higher level coordination function provided by symbolic reasoning, and the lower level autonomic processes of adaptive estimation and control. To be economically viable they will need to be programmable purely through high level compositional models. Self modeling and self configuration, coordinating autonomic functions through symbolic reasoning, and compositional, model-based programming are the three key elements of a model-based autonomous systems architecture that is taking us into the New Millennium.

Williams, Brian C.↗

Grand Valley Ecological Forecasting II: Forecasting Trends in Pinyon-Juniper and Sagebrush Habitat Relative to Wildfire, Drought, Beetle Disturbance, and Treatment Impact for Management Planning

Disturbances and landcover change in pinyon-juniper and sagebrush ecosystems are exacerbated by environmental conditions such as variability in climate characteristics. Our DEVELOP team partnered with the National Park Service (NPS) in Colorado National Monument and the Bureau of Land Management (BLM)in McInnis Canyons and Dominguez-Escalante National Conservation Areas to investigate disturbances to land cover. NPS partners were interested in identifying areas at risk of pinyon-juniper die-off or encroachment by invasive species. The BLM partners prioritized identifying areas suitable for fire reduction/prevention treatment. To address these concerns, we forecasted landcover change in the Grand Valley region of Colorado using NASA Earth observation data from Landsat 5 Thematic Mapper (TM), Landsat 7 Enhanced Thematic Mapper (ETM+), Landsat 8 Operational Land Imager (OLI), and Moderate Resolution Imaging Spectroradiometer (MODIS) aboard Terra and Aqua. We collected and analyzed these data in conjunction with Term I of this project. We found that the primary drivers of forecasted landcover change in the study area were aspect and elevation. Our forecasted landcover change maps, created using the Idrisi TerrSet Land Change Modeler, addressed the needs of our partners by showing potential habitat suitability trends, which will inform management planning. Forecasted landcover maps indicated that by 2040, ecosystems within partner management areas will likely see tree encroachment on shrublands.

William Curtiss↗

Photochemically‐Driven CO 2 Release Using a Metastable‐State Photoacid for Energy Efficient Direct Air Capture

Abstract One of the grand challenges underlying current direct air capture (DAC) technologies relates to the intensive energy cost for sorbent regeneration and CO 2 release, making the massive scale (GtCO 2 /year) deployment required to have a positive impact on climate change economically unfeasible. This challenge underscores the critical need to develop new DAC processes with substantially reduced regeneration energies. Here, we report a photochemically‐driven approach for CO 2 release by exploiting the unique properties of an indazole metastable‐state photoacid (mPAH). Our measurements on simulated and amino acid‐based DAC systems revealed the potential of mPAH to be used for CO 2 release cycles by regulating pH changes and associated isomers driven by light. Upon irradiating with moderate intensity light, a ≈55 % and ≈68 % to ≈78 % conversion of total inorganic carbon to CO 2 was found for the simulated and amino acid‐based DAC systems, respectively. Our results confirm the feasibility of on‐demand CO 2 release under ambient conditions using light instead of heat, thereby providing an energy efficient pathway for the regeneration of DAC sorbents.

Premadasa, Uvinduni I.↗

The interactive role of subsynoptic scale jet sreak and planetary boundary layer adjustments in organizing an apparently isolated convective complex

A mesoscale atmospheric simulation system is described that is being developed in order to improve the simulation of subsynoptic and mesoscale adjustments associated with cyclogenesis, severe storm development, and significant atmospheric transport processes. Present emphasis in model development is in the parameterization of physical processes, time-dependent boundary conditions, sophisticated initialization and analysis procedures, nested grid solutions, and applications software development. Basic characteristics of the system as of March 1982 are listed. In a case study, the Grand Island tornado outbreak of 3 June 1980 is considered in substantial detail. Results of simulations with a mesoscale atmospheric simulation system indicate that over the high plains subtle interactions between existing jet streaks and deep well mixed boundary layers can lead to well organized patterns of mesoscale divergence and pressure falls. The amplitude and positioning of these mesoscale features is a function of the subtle nonlinear interaction between the pre-existing jet-streak and deep well mixed boundary layers. Model results for the case study indicate that the model has the potential for forecasting the precursor mesoscale convective environment.

Kaplan, M. L.↗

Strategic Framework for NASA’s Space Technology Mission Directorate

In October 2016, NASA’s Space Technology Mission Directorate (STMD) began adopting a new strategic framework that focuses investment prioritization and communication on impacts, outcomes, and challenges. The structure of the framework has been modeled after one successfully pioneered by NASA’s Aeronautics Research Mission Directorate over the past five years, incorporating lessons learned and changes where appropriate. The Framework is driven by two major factors: (a) dialogue with the community and (b) analysis of the overarching trends shaping the course of civilian space research. These factors are captured in the Framework as Mega-Drivers, which represent major axes of change within the space industry and are characterized by a collection of industry trends and projections. In response to these Mega-Drivers, STMD has developed its understanding of the vision for the future of civilian space relative to STMD space research, captured in five Strategic Thrusts that represent the major lines of investment within STMD’s portfolio. Within each of these Strategic Thrusts, multiple measureable, community-level goals have been established that STMD chooses to pursue as part of a joint effort across the community. STMD chose these goals based upon their potential impact, refers to them as Outcomes within the Framework. These Outcomes are decomposed into the products and/or capabilities that will be delivered by STMD, represented in the framework as Technical Challenges. This paper will further describe the framework structure and the progress that has been in defining each of the above elements to date.

Earle, Kevin D.↗

Photochemically-Driven CO 2 Release Using a Metastable-State Photoacid for Energy Efficient Direct Air Capture

One of the grand challenges underlying current direct air capture (DAC) technologies relates to the intensive energy cost for sorbent regeneration and CO 2 release, making the massive scale (GtCO 2 /year) deployment required to have a positive impact on climate change economically unfeasible. This challenge underscores the critical need to develop new DAC processes with substantially reduced regeneration energies. Here, in this work, we report a photochemically-driven approach for CO 2 release by exploiting the unique properties of an indazole metastable-state photoacid (mPAH). Our measurements on simulated and amino acid-based DAC systems revealed the potential of mPAH to be used for CO 2 release cycles by regulating pH changes and associated isomers driven by light. Upon irradiating with moderate intensity light, a ≈55 % and ≈68 % to ≈78 % conversion of total inorganic carbon to CO 2 was found for the simulated and amino acid-based DAC systems, respectively. Our results confirm the feasibility of on-demand CO 2 release under ambient conditions using light instead of heat, thereby providing an energy efficient pathway for the regeneration of DAC sorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tin Metal Improves the Lithiation Kinetics of High-Capacity Silicon Anodes

Si-based anodes present a great promise for high energy density lithium-ion batteries. However, its commercialization is largely hindered by a grand challenge of a rapid capacity fade. Here, we demonstrate excellent cycling stability on a Si-Sn thin film electrode that outperforms pure Si or Sn counterpart under the similar conditions. Combined with the first-principles calculations, in situ transmission electron microscopy studies reveal a reduced volume expansion, increased conductivity, as well as dynamic rearrangement upon lithiation of the Si-Sn film. Here we attribute the improved lithiation kinetics to the formation of a conductive matrix that comprises a mosaic of nanostructured Sn, Li y Sn (specifically, Li 7 Sn 2 develops around the lithiation potential of Si), and Li x Si. This work provides an important advance in understanding the lithiation mechanism of Si-based anodes for next-generation lithium-ion batteries.

25 ENERGY STORAGE↗

Rationalizing Acidic Oxygen Evolution Reaction over IrO 2 : Essential Role of Hydronium Cation

Abstract The development of active, stable, and more affordable electrocatalysts for acidic oxygen evolution reaction (OER) is of great importance for the practical application of electrolyzers and the advancement of renewable energy conversion technologies. Currently, IrO 2 is the only catalyst with high stability and activity, but a high cost. Further optimization of the catalyst is limited by the lack of understanding of catalytic behaviors at the acid‐IrO 2 interface. Here, in strong interaction with the experiment, we develop an explicit model based on grand‐canonical density function theory (GC‐DFT) calculations to describe acidic OER over IrO 2 . Compared to the explicit models reported previously, hydronium cations (H 3 O + ) are introduced at the electrochemical interface in the current model. As a result, a variation in stable IrO 2 surface configuration under the OER operating condition from previously proposed complete *O‐coverage to a mixture coverage of *OH and *O is revealed, which is well supported by in situ Raman measurements. In addition, the accuracy of predicted overpotential is increased in comparison with the experimentally measured. More importantly, an alteration of the potential limiting step from previously identified *O→*OOH to *OH→*O is observed, which opens new opportunities to advance the IrO 2 ‐based catalysts for acidic OER.

Mou, Tianyou↗

Modeling stochastic fluctuations in relativistic kinetic theory

Using the information current, we develop a Lorentz-covariant framework for modeling equilibrium fluctuations in relativistic kinetic theory in the grand-canonical ensemble. The resulting stochastic theory is proven to be causal and covariantly stable, and its predictions do not depend on the choice of spacetime foliation used to define the grand-canonical probabilities. As expected, in a box containing N > 5 particles, Boltzmann’s molecular chaos postulate is broken with (almost exact) probability N -1/2 , leading to a breakdown of the Boltzmann equation in small systems. Here, we also verify that, in ultrarelativistic gases, transient hydrodynamics already accounts for at least 80% of the equilibrium fluctuations of the stress-energy tensor at a given time. Finally, we compute the correlators at nonequal times for two selected collision kernels: that of a chemically active diluted solution, and that of ultrarelativistic scalar particles self-interacting via a quartic potential. For the former, we compute the density-density correlators analytically in real space, and dehydrodynamization of the stochastic theory is proven to occur whenever the mean free path diverges at high energy.

Astronomy & Astrophysics↗

Tunable Laser-Plasma Amplifier (Final Report)

Exploration at the laser intensity frontier has always offered new avenues for physics and reaching beyond this frontier is a grand challenge. Present-day petawatt-class lasers provide focused intensities on target of 10 22 W/cm 2 , corresponding to electric fields of 200 TV/m, while laser-plasma amplification opens a route for focused intensities well above 10 23 W/cm 2 . Intensities in this range provide the ability to test quantum electrodynamics in the unexplored low-energy, strong-field regime where signatures for new physics may arise. The behavior of matter under such extraordinary conditions is a rich and fascinating subject, not only in its own right in fundamental plasma physics, but for the many potential applications that promise to enrich the natural sciences in the future, including compact electron-beam, ion-beam particle accelerators, and ultra-bright X-ray sources. Although laser systems are now under construction internationally to access intensities of 10 23 W/cm 2 , the current technologies used appear to be fundamentally limited to these intensities. The realization of intensities beyond 10 23 W/cm 2 using parametric amplification in plasmas promises a breakthrough in high-energy density physics. Parametric amplification using Raman scattering in a plasma could provide the enabling technology for the generation of ultra-high-power laser pulses, but a more complete understanding of the nonlinear optics of plasmas is required. There is a significant gap in well-diagnosed laser-plasma instability studies of nonlinear plasma-wave phenomena, which are critical to understand for future laser-plasma devices. To achieve an efficient laser-plasma amplifier, plasma waves must be driven to large amplitude where significant energy can be rapidly transferred from the pump to the seed over the pulse duration of the seed. Simulations suggest that this nonlinear pump depletion regime can be achieved in the “pi-pulse” amplification regime. While simulations show this optimal regime with efficient amplification, it has remained elusive in experiments and there is a growing consensus within the community that thermal effects and pump beam limitations prevent laser-plasma amplifiers from progressing through the linear regime into the nonlinear pump depletion regime. Previous experiments have been significantly limited by the laser power available at the necessary wavelengths for the seed laser; therefore, the amplification is required to start in the linear regime where it is sensitive to many deleterious effects. The enabling technology (currently unique to plasma-wave amplification in the world) at the University of Rochester is the ability to provide a seed pulse with sufficient power (4 mJ/100 fs seed) to immediately drive nonlinear plasma waves into the pi-pulse regime and to tune its wavelength to optimize the efficiency of energy transfer. This in combination with the state-of-the-art OMEGA heater beams providing multiple kilojoules in a nanosecond to sufficiently heat the plasma make this system distinct from previous studies. These heater beams will provide, for the first time in Raman amplification studies, a homogeneous electron temperature high enough to prevent pump beam propagation issues that have plagued previous experiments. These systems will provide a platform for driving electron-plasma waves into the nonlinear regime where pump depletion and pulse shortening are predicted to lead to high amplification efficiencies (>30%). The Team has made significant progress through prior support from DOE Fusion Energy Sciences [DOE Office of Science Award Number DE-SC0016253 (2016-2022)]. This includes twenty-two peer-reviewed manuscripts, one patent, ten contributed talks presented at international conferences, and research that was highlighted as invited talks at fifteen international conferences. The broader impacts of this research are evident in the support of early career scientists, two Ph.D. theses, four current graduate students, a Masters Project, two undergraduate researchers, and an underrepresented minority student hired through the California Alliance for Minority Participation who now works as a Research Engineer in the group. This research met all of the funded research objectives and the highlights from primary Raman amplification thrust of this work are discussed below and form the foundation for the proposed research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Strategic Framework for NASA’s Space Technology Mission Directorate

In October 2016, NASA’s Space Technology Mission Directorate (STMD) began adopting a new strategic framework that focuses investment prioritization and communication on impacts, outcomes, and challenges. The structure of the framework has been modeled after one successfully pioneered by NASA’s Aeronautics Research Mission Directorate over the past five years, incorporating lessons learned and changes where appropriate. The Framework is driven by two major factors: (a) dialogue with the community and (b) analysis of the overarching trends shaping the course of civilian space research. These factors are captured in the Framework as Mega-Drivers, which represent major axes of change within the space industry and are characterized by a collection of industry trends and projections. In response to these Mega-Drivers, STMD has developed its understanding of the vision for the future of civilian space relative to STMD space research, captured in five Strategic Thrusts that represent the major lines of investment within STMD’s portfolio. Within each of these Strategic Thrusts, multiple measurable, community-level goals have been established that STMD chooses to pursue as part of a joint effort across the community. STMD chose these goals based upon their potential impact, refers to them as Outcomes within the Framework. These outcomes are decomposed into the products and/or capabilities that will be delivered by STMD, represented in the framework as Technical Challenges. This paper will further describe the framework structure and the progress that has been in defining each of the above elements to date.

Kevin D Earle↗

Machine learning-enabled prediction of chemical durability of A 2 B 2 O 7 pyrochlore and fluorite

Pyrochlore-structure type and its derivative in a general formula A 2 B 2 O 7 (A = rare earth elements and actinides; B = Ti, Sn, Zr, Hf, Pb, Si, etc.) display excellent structural flexibility and rich crystal chemistry as promising nuclear waste form materials capable of immobilizing actinides and fission products. It is essential to understand these materials’ chemical durability and element release of radionuclides in order to evaluate their performance in near-field environment. However, it is a formidable grand technological challenge to experimentally perform durability testing across hundreds of thousands of possibilities resulting from their extreme compositional complexities due to cation substitutions at both A and B-sites. In this work, we demonstrate a machine learning approach to determine the key materials parameters and structural characteristics governing the leaching behaviors from a small set of selected compositions as model systems, enabling a science-based prediction of their chemical durability that can be extended to a wide range of chemical compositions. The combination of four key structural characteristics and materials parameters, including ionic radius size difference , ionic potential difference , electronegativity difference , and lattice parameter , creates features an optimized prediction of the chemical durability. Two machine learning models, linear regression and Kernel ridge regression models, are trained on the randomly-split training dataset derived from the experimentally-determined elemental release rates, and subsequently tested on the testing dataset. The predicted leaching rates from both machine learning models show an excellent agreement with the experimental data, demonstrating the feasibility of rapidly evaluating the material properties of new compositions. These results highlight the immense potential of synergizing informatics through machine learning-based models and well-controlled experiments of selected model systems to accelerate materials design and discovery with optimized compositions and performance of promising materials for effective nuclear waste management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Report for the ASCR Workshop on Visualization for Scientific Discovery, Decision-Making, and Communication

Visualization—the use of visual elements to explore data, form hypotheses, or convey conclusions—is an integral part of the scientific process. Starting from an initial exploration of new data to illustrating outcomes for the general public, visualization is one of the most intuitive and powerful modes of communication. With the explosion of new data sources and types, unprecedented volumes of data, and new technologies, such as virtual reality (VR) and artificial intelligence (AI), visualization has become increasingly essential but also ever more challenging. The Department of Energy’s (DOE) Office of Advanced Scientific Computing Research (ASCR) sponsored a Basic Research Needs workshop in January 2022 to understand the major opportunities and grand challenges in visualization tools and technologies for scientific computing as well as for DOE-relevant applications and goals in general. The workshop identified five priority research directions (PRDs) for visualization to support scientific discovery, decision making, and communication. The first three PRDs describe interconnected research themes addressing the need for new techniques to deal with complex data, uncertainty, and interpretability (PRD 1); the need for scalable and interoperable software stacks (PRD 2); and the challenges and opportunities inherent in new technologies, such as VR, cloud, or exascale computing (PRD 3). The remaining two PRDs describe foundational research themes that recognize the potential of visualizations to provide equitable access to information and to strengthen the scientific discourse (PRD 4); and the need to consider human factors when designing visualizations (PRD 5). Collectively, these PRDs form the pillars for a coherent, long-term research and development strategy in Visualization for Scientific Discovery, Decision-Making, and Communication in the context of the Office of Science’s mission scope.

97 MATHEMATICS AND COMPUTING↗

Rationalizing Acidic Oxygen Evolution Reaction over IrO 2 : Essential Role of Hydronium Cation

The development of active, stable, and more affordable electrocatalysts for acidic oxygen evolution reaction (OER) is of great importance for the practical application of electrolyzers and the advancement of renewable energy conversion technologies. Currently, IrO 2 is the only catalyst with high stability and activity, but a high cost. Further optimization of the catalyst is limited by the lack of understanding of catalytic behaviors at the acid-IrO 2 interface. Here, in strong interaction with the experiment, we develop an explicit model based on grand-canonical density function theory (GC-DFT) calculations to describe acidic OER over IrO 2 . Compared to the explicit models reported previously, hydronium cations (H 3 O + ) are introduced at the electrochemical interface in the current model. As a result, a variation in stable IrO 2 surface configuration under the OER operating condition from previously proposed complete *O-coverage to a mixture coverage of *OH and *O is revealed, which is well supported by in situ Raman measurements. In addition, the accuracy of predicted overpotential is increased in comparison with the experimentally measured. More importantly, in this study, an alteration of the potential limiting step from previously identified *O→*OOH to *OH→*O is observed, which opens new opportunities to advance the IrO 2 -based catalysts for acidic OER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗