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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗
DOE OSTI2021

Seaborgite, LiNa6K2(UO2)(SO4)5(SO3OH)(H2O), the First Uranyl Mineral Containing Lithium

Abstract Seaborgite (IMA2019-087), LiNa6K2(UO2)(SO4)5(SO3OH)(H2O), is a new mineral species from the Blue Lizard mine, Red Canyon, San Juan County, Utah, U.S.A. It is a secondary phase found on gypsum in association with copiapite, ferrinatrite, ivsite, metavoltine, and römerite. Seaborgite occurs in sprays of light-yellow, long flattened prisms or blades, up to about 0.2 mm in length. Crystals are elongated on [100], flattened on {010}, and exhibit the forms {100}, {010}, {001}, and {101}. The mineral is transparent with vitreous luster and very pale-yellow streak. It exhibits bright lime-green fluorescence under a 405 nm laser. The Mohs hardness is ~2½. The mineral has brittle tenacity, curved or conchoidal fracture, and one good cleavage on {100}. The measured density is 2.97(2) g/cm3. The mineral is immediately soluble in H2O at room temperature. The mineral is optically biaxial (–), α = 1.505(2), β = 1.522(2), γ = 1.536(2) (white light); 2Vmeas = 85(1)°; moderate r < ν dispersion; orientation X ^ a ≈ 10°; pleochroic X colorless, Y and Z light green-yellow; X < Y ≈ Z. EPMA and LA-ICP-MS analyses of seaborgite undermeasured its Li, K, and Na. The empirical formula using Li, Na, and K based on the structure refinement is Li1.00Na5.81K2.19(UO2)(SO4)5(SO3OH)(H2O). Seaborgite is triclinic, P1, a = 5.4511(4), b = 14.4870(12), c = 15.8735(15) Å, α = 76.295(5), β = 81.439(6), γ = 85.511(6)°, V = 1203.07(18) Å3, and Z = 2. The structure (R1 = 0.0377 for 1935 I = 2σI) contains [(UO2)2(SO4)8]4– uranyl-sulfate clusters that are linked into a band by bridging LiO4 tetrahedra. The bands are linked through peripheral SO4 tetrahedra forming a thick heteropolyhedral layer. Channels within the layers contain a K site, while an additional K site, six Na sites, and an SO3OH group occupy the space between the heteropolyhedral layers.

Geochemistry & Geophysics↗
DOE OSTI2024

Wind-driven emissions of coarse-mode particles in an urban environment

Abstract. Quantifying surface–atmosphere exchange rates of particles is important for understanding the role of suspended particulate matter in radiative transfer, clouds, precipitation, and climate change. Emissions of coarse-mode particles with a diameter greater than 0.5 µm provide giant cloud condensation nuclei and ice nuclei. These emissions are critical for understanding the evolution of cloud microphysical properties yet remain poorly understood. Here we introduce a new method that uses lidar retrievals of the elastic backscatter and Doppler velocity to obtain surface number emissions of particles with a diameter greater than 0.53 µm. The technique is applied to study particle number fluxes over a 2-month period from 1 June to 10 August 2022 during the TRACER campaign at an urban site near Houston, TX, USA. We found that all the observed fluxes were positive (upwards), indicating particle emission from the surface. The fluxes followed a diurnal pattern and peaked near noon local time. Flux intensity varied through the 2 months with multi-day periods of strong fluxes and multi-day periods of weak fluxes. Emission particle number fluxes peaked near ∼ 100 cm−2 s−1. The daily averaged emission fluxes correlated with friction velocity and were anticorrelated with surface relative humidity. The emission flux can be parameterized as F= 3000 u*4, where u* is the friction velocity in m s−1 and the emission flux F is in cm−2 s−1. The u* dependence is consistent with emission from wind-driven erosion. Estimated values for the mass flux are in the lower range of literature values from non-urban sites. These results demonstrate that urban environments may play an important role in supplying coarse-mode particles to the boundary layer. We anticipate that quantification of these emissions will help constrain aerosol–cloud interaction models that use prognostic aerosol schemes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Fully Integrated Ultra-thin Intraoperative Micro-imager for Cancer Detection Using Upconverting Nanoparticles

Abstract Purpose Intraoperative detection and removal of microscopic residual disease (MRD) remain critical to the outcome of cancer surgeries. Today’s minimally invasive surgical procedures require miniaturization and surgical integration of highly sensitive imagers to seamlessly integrate into the modern clinical workflow. However, current intraoperative imagers remain cumbersome and still heavily dependent on large lenses and rigid filters, precluding further miniaturization and integration into surgical tools. Procedures We have successfully engineered a chip-scale intraoperative micro-imager array—without optical filters or lenses—integrated with lanthanide-based alloyed upconverting nanoparticles (aUCNPs) to achieve tissue imaging using a single micro-chip. This imaging platform is able to leverage the unique optical properties of aUCNPs (long luminescent lifetime, high-efficiency upconversion, no photobleaching) by utilizing a time-resolved imaging method to acquire images using a 36-by-80-pixel, 2.3 mm $$\times$$ × 4.8 mm silicon-based electronic imager micro-chip, that is, less than 100-µm thin. Each pixel incorporates a novel architecture enabling automated background measurement and cancellation. We have validated the performance, spatial resolution, and the background cancellation scheme of the imaging platform, using resolution test targets and mouse prostate tumor sample intratumorally injected with aUCNPs. To demonstrate the ability to image MRD, or tumor margins, we evaluated the imaging platform in visualizing a single-cell thin section of the injected prostate tumor sample. Results Tested on USAF resolution targets, the imager is able to achieve a resolution of 71 µm. We have also demonstrated successful background cancellation, achieving a signal-to-background ratio of 8 when performing ex vivo imaging on aUCNP-injected prostate tumor sample, improved from originally 0.4. The performance of the imaging platform on single-cell layer sections was also evaluated and the sensor achieved a signal-to-background ratio of 4.3 in resolving cell clusters with sizes as low as 200 cells. Conclusion The imaging system proposed here is a scalable chip-scale ultra-thin alternative for bulky conventional intraoperative imagers. Its novel pixel architecture and background correction scheme enable visualization of microscopic-scale residual disease while remaining completely free of lenses and filters, achieving an ultra-miniaturized form factor—critical for intraoperative settings.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

An outflow powers the optical rise of the nearby, fast-evolving tidal disruption event AT2019qiz

ABSTRACT At 66 Mpc, AT2019qiz is the closest optical tidal disruption event (TDE) to date, with a luminosity intermediate between the bulk of the population and the faint-and-fast event iPTF16fnl. Its proximity allowed a very early detection and triggering of multiwavelength and spectroscopic follow-up well before maximum light. The velocity dispersion of the host galaxy and fits to the TDE light curve indicate a black hole mass ≈106 M⊙, disrupting a star of ≈1 M⊙. By analysing our comprehensive UV, optical, and X-ray data, we show that the early optical emission is dominated by an outflow, with a luminosity evolution L ∝ t2, consistent with a photosphere expanding at constant velocity (≳2000 km s−1), and a line-forming region producing initially blueshifted H and He ii profiles with v = 3000–10 000 km s−1. The fastest optical ejecta approach the velocity inferred from radio detections (modelled in a forthcoming companion paper from K. D. Alexander et al.), thus the same outflow may be responsible for both the fast optical rise and the radio emission – the first time this connection has been observed in a TDE. The light-curve rise begins 29 ± 2 d before maximum light, peaking when the photosphere reaches the radius where optical photons can escape. The photosphere then undergoes a sudden transition, first cooling at constant radius then contracting at constant temperature. At the same time, the blueshifts disappear from the spectrum and Bowen fluorescence lines (N iii) become prominent, implying a source of far-UV photons, while the X-ray light curve peaks at ≈1041 erg s−1. Assuming that these X-rays are from prompt accretion, the size and mass of the outflow are consistent with the reprocessing layer needed to explain the large optical to X-ray ratio in this and other optical TDEs, possibly favouring accretion-powered over collision-powered outflow models.

Nicholl, M.↗
DOE OSTI2023

Electrochemical mechanisms of leakage‐current in photovoltaic modules

Abstract This paper analyzes the mechanisms and pathways for leakage current flow observed in Si photovoltaic modules subjected to high temperature and humidity and a large voltage bias with respect to ground. The current inside of the frame is in the form of electron motion, but in the glass and polymer, it is in at least a large part attributable to the movement of ions. When the mode of current flow changes from electronic to ionic conduction, electrochemical reactions will take place at the interface. This can include reactions that produce volatile chemical species like H 2 , CO x , and O 2 , along with ionic species such as OH − and H 3 O + . Here, we see evidence of the importance of different charge carriers with different diffusion rates and the influence of electrochemical processes involved. The application of negative voltage to the cell circuit affects the resistivity of glass producing surfaces with poor conductivity but with some increases in the electrochemical potential producing complicated interactions that are important when the voltage is changed. In the polymer, there is the development of a space charge region and a chemical gradient providing two oppositional forces to current flow, which when released create a complicated discharge process. Here, we give a basic understanding of the charge/discharge of PV cells highlighting how the specific mechanisms are important in understanding some of the degradation processes in PV modules. We find that there is evidence of multiple significant charge carrier species with different diffusion time scales. The glass/polymer interface forms a depleted region of higher resistance after prolonged exposure to current. Charge also builds up at the polymer to cell antireflective coating interface and mostly flows to the gridlines to experience electrochemical reactions. These complexities result in non‐linear behavior where the apparent resistivities of the different layers change during charge/discharging processes, making the modeling of the current flow extremely difficult.

14 SOLAR ENERGY↗
DOE OSTI2023

Metasomatic alteration of coarse‐grained igneous calcium‐aluminum‐rich inclusions from CK3 carbonaceous chondrites

Abstract We report on the primary and secondary mineralogies of three coarse‐grained igneous calcium‐aluminum‐rich inclusions (CAIs) (Compact Type A [CTA], Type B [B], and forsterite‐bearing type B [FoB]) from the Northwest Africa (NWA) 5343 (CK3.7) and NWA 4964 (CK3.8) carbonaceous chondrites, compare them with the mineralogy of igneous CAIs from the Allende (CV3.6) chondrite, and discuss the nature of the alteration processes that affected the CK and CV CAIs. The primary mineralogy and mineral chemistry of the CK3 CAIs studied are similar to those from Allende; however, primary melilite and anorthite are nearly completely absent. Although the secondary minerals identified in CK CAIs (Al‐diopside, andradite, Cl‐apatite, clintonite, forsterite, ferroan olivine, Fe,Ni‐sulfides, grossular, ilmenite, magnetite, plagioclase, spinel, titanite, and wadalite) occur also in the Allende CAIs, there are several important differences: (i) In addition to melilite and anorthite, which are nearly completely replaced by secondary minerals, the alteration of CK CAIs also affected high‐Ti pyroxenes (fassaite and grossmanite) characterized by high Ti 3+ /Ti 4+ ratio and spinel. These pyroxenes are corroded and crosscut by veins of Fe‐ and Ti‐bearing grossular, Fe‐bearing Al,Ti‐diopside, titanite, and ilmenite. Spinel is corroded by Fe‐bearing Al‐diopside and grossular. (ii) The secondary mineral assemblages of grossular + monticellite and grossular + wollastonite, commonly observed in the Allende CAIs, are absent; the Fe‐bearing grossular + Fe‐bearing Al‐diopside ± Fe,Mg‐spinel, Fe‐bearing grossular + Fe,Mg‐olivine ± Fe,Mg‐spinel, and Ca,Na‐plagioclase + Fe‐bearing Al‐diopside + Fe‐bearing grossular assemblages are present instead. These mineral assemblages are often crosscut by veins of Fe‐bearing Al‐diopside, Fe,Mg‐olivine, Fe,Mg‐spinel, and Ca,Na‐plagioclase. The coarse‐grained secondary grossular and Al‐diopside often show multilayered chemical zoning with distinct compositional boundaries between the layers; the abundances of Fe and Ti typically increase toward the grain edges. (iv) Sodium‐rich secondary minerals, nepheline and sodalite, commonly observed in the peripheral portions of the Allende CAIs, are absent; Ca,Na‐plagioclase is present instead. We conclude that coarse‐grained igneous CAIs from CK3.7–3.8 s and Allende experienced an open‐system multistage metasomatic alteration in the presence of an aqueous solution–infiltration metasomatism. This process resulted in localized mobilization of all major rock‐forming elements: Si, Ca, Al, Ti, Mg, Fe, Mn, Na, K, and Cl. The metasomatic alteration of CK CAIs is more advanced and occurred under higher temperature and higher oxygen fugacity than that of the Allende CAIs.

Geochemistry & Geophysics↗
DOE OSTI2023

Effects from Time Dependence of Ice Nucleus Activity for Contrasting Cloud Types

Abstract The role of time-dependent freezing of ice nucleating particles (INPs) is evaluated with the “Aerosol–Cloud” (AC) model in 1) deep convection observed over Oklahoma during the Midlatitude Continental Convective Cloud Experiment (MC3E), 2) orographic clouds observed over North California during the Atmospheric Radiation Measurement (ARM) Cloud Aerosol Precipitation Experiment (ACAPEX), and 3) supercooled, stratiform clouds over the United Kingdom, observed during the Aerosol Properties, Processes And Influences on the Earth’s climate (APPRAISE) campaign. AC uses the dynamical core of the WRF Model and has hybrid bin–bulk microphysics and a 3D mesoscale domain. AC is validated against coincident aircraft, ground-based, and satellite observations for all three cases. Filtered concentrations of ice (>0.1–0.2 mm) agree with those observed at all sampled levels. AC predicts the INP activity of various types of aerosol particles with an empirical parameterization (EP), which follows a singular approach (no time dependence). Here, the EP is modified to represent time-dependent INP activity by a purely empirical approach, using our published laboratory observations of time-dependent INP activity. In all simulated clouds, the inclusion of time dependence increases the predicted INP activity of mineral dust particles by 0.5–1 order of magnitude. However, there is little impact on the cloud glaciation because the total ice is mostly (80%–90%) from secondary ice production (SIP) at levels warmer than about −36°C. The Hallett–Mossop process and fragmentation in ice–ice collisions together initiate about 70% of the total ice, whereas fragmentation during both raindrop freezing and sublimation contributes <10%. Overall, total ice concentrations and SIP are unaffected by time-dependent INP activity. In the simulated APPRAISE case, the main causes of persistence of long-lived clouds and precipitation are predicted to be SIP in weak embedded convection and reactivation following recirculation of dust particles in supercooled layer cloud.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Theoretical and Observational Determination of Global and Regional Radiation Budget, Forcing and Feedbacks at the Top-of-Atmosphere and Surface

Report consists of: 1. List of accomplishments 2. List of publications 3. Abstracts of published or submitted papers and 4. Subject invention disclosure. The accomplishments of the grant listed are: 1. Improved the third-order turbulence closure in cloud resolving models to remove the liquid water oscillation. 2. Used the University of California-Los Angeles (UCLA) large-eddy simulation (LES) model to provide data for radiation transfer testing. 3. Revised shortwave k-distribution models based on HITRAN 2000. 4. Developed a gamma-weighted two-stream radiative transfer model for radiation budget estimate applications. 5. Estimated the effect of spherical geometry to the earth radiation budget. 6. Estimated top-of-atmosphere irradiance over snow and sea ice surfaces. 7. Estimated the aerosol direct radiative effect at the top of the atmosphere. 8. Estimated the top-of-atmosphere reflectance of the clear-sky molecular atmosphere over ocean. 9. Developed and validated new set of Angular Distribution Models for the CERES TRMM satellite instrument (tropical) 10. Developed and validated new set of Angular Distribution Models for the CERES Terra satellite instrument (global) 11. Quantified the top-of-atmosphere direct radiative effect of aerosols over global oceans from merged CERES and MODIS observations 12 Clarified the definition of TOA flux reference level for radiation budget studies 13. Developed new algorithm for unfaltering CERES measured radiances 14. Used multiangle POLDER measurements to produce narrowband angular distribution models and examine the effect of scene identification errors on TOA albedo estimates 15. Developed and validated a novel algorithm called the Multidirectional Reflectance Matching (MRM) model for inferring TOA albedos from ice clouds using multi-angle satellite measurements. 16. Developed and validated a novel algorithm called the Multidirectional Polarized Reflectance Matching (MPRM) model for inferring particle shapes from ice clouds using multi-angle polarized satellite measurements. 17. Developed 4 advanced light scattering models including the three-dimensional (3D) uniaxial perfectly matched layer (UPML) finite-difference time-domain (FDTD) model. 18. Develop sunglint in situ measurement and study reflectance distribution in the sunglint area. 19. Lead a balloon-borne radiometer TOA albedo validation effort. 20. Developed a CERES surface UVB, UVA, and UV index product.

Loeb, Norman G.↗
DOE OSTI2024

An In Situ transmission electron microscopy study on the synergistic effects of Au-ion irradiation and high temperature on nuclear graphite microstructure

Abstract The combined effects of high-temperature and heavy-ion irradiation on Mrozowski cracks (MC) and nuclear graphite crystallographic dimensions have been studied using in situ heating and in situ ion-irradiation in the transmission electron microscope (TEM). Electron transparent lamella of nuclear graphite, IG-110, was irradiated using a 2.8 MeV Au beam at an ion flux of 3.991 ×10 10 ion cm −2 s −1 for 70 min at 800 °C. Upon high-temperature irradiation, Mrozowski crack closure was studied quantitatively. The analysis showed linear, positive expansion of nuclear graphite which is significantly different from the dimensional changes previously reported for low-dose neutron irradiation of nuclear graphite in which the material undergoes negative to positive expansion via a turnaround radiation dose. The trend of the thermal expansion coefficient (CTE) of pristine IG-110 in this study is consistent with previous reports in the 100 °C–800 °C temperature region in which the dimensional change ranges from negative to positive values.

36 MATERIALS SCIENCE↗
NASA NTRS1999

High-Resolution Spectroscopy of Mars: Recent Results and Implications for Atmospheric Evolution

It is believed that Earth, Venus, and Mars were formed by the same rocky and icy planetesimals, which resembled meteorites and comets in their composition, respectively. These planets are thus expected to have initially had the same chemical and isotope composition. Scaling the mass of the terrestrial ocean by the planetary mass ratio, the expected initial H2O abundance on Mars is a layer of about 1 km thick. Scaling the abundance of CO2 on Venus, the expected initial CO2 abundance on Mars is 15 bars. Evidently, significant parts of the initial H2O and CO2 abundances have been lost. Intense meteorite impact erosion and hydrodynamic escape of hydrogen (which could drag to escape more heavy species) were dominant loss processes in the first 0.8 Byr. Later, atmospheric sputtering by O+ ions resulted in the dissociation of CO2 and massive losses of O, C, and H. Formation of carbonates also reduced CO2 to its present abundance which currently exists in the atmosphere, on the polar caps, and is absorbed by regolith. Water loss is currently due to thermal escape of H and nonthermal escape of O, both formed by photodissociation of H2O. All loss processes resulted in fractionation of the H, O, and C isotopes. Therefore, the current isotope ratios in H2O and CO2 are clues to the history of volatiles on Mars. There are three tools to study H2O and CO2 isotopes in the martian atmosphere: (i) mass spectrometry from landing probes, (ii) analyses of Mars' gases trapped in the SNC meteorites which were ejected from Mars, and (iii) high-resolution spectroscopy of the H2O andCO2 bands. Method (i) is the best but is the most expensive. Mass spectrometers to be used should be designed for high-precision isotope measurements. Method (ii) makes it possible to reach an uncertainty +/- 0.1%. However, the obtained results are affected by some uncontrolled interactions: isotope fractionations of (1) trapped gases and (2) those released in pyrolysis, (3) contribution of the impactor, isotope exchanges (4) in the terrestrial environment and (5) with the host rock during pyrolysis. Therefore, the spectroscopic data are of great interest, though their formal accuracy is lower. High-resolution spectroscopy is also a tool to study the current atmosphere of Mars by mapping of some photochemically important species and searching for some minor constituents and their variations. Additional information is contained in the original extended abstract.

Krasnopolsky, V. A.↗
DOE OSTI2022

Scalable Al 2 O 3 –TiO 2 Conductive Oxide Interfaces as Defect Reservoirs for Resistive Switching Devices

Abstract Resistive switching devices herald a transformative technology for memory and computation, offering considerable advantages in performance and energy efficiency. Here, a simple and scalable material system of conductive oxide interfaces is employed, and their unique properties are leveraged for a new type of resistive switching device. An Al 2 O 3 –TiO 2 ‐based valence‐change resistive switching device, where the conductive oxide interface serves both as the bottom electrode and as a reservoir of defects for switching, is demonstrated. The amorphous–polycrystalline Al 2 O 3 –TiO 2 conductive interface is obtained following the technological path of simplifying the fabrication of the 2D electron gases (2DEGs), making them scalable for practical mass integration. Physical analysis of the device chemistry and microstructure with comprehensive electrical analysis of its switching behavior and performance is combined. The origin of the resistive switching is pinpointed to the conductive oxide interface, which serves both as the bottom electrode and as a reservoir of oxygen vacancies. The latter plays a key role in valence‐change resistive switching devices. The new device, based on scalable and complementary metal–oxide–semiconductor (CMOS)‐technology‐compatible fabrication processes, opens new design spaces toward increased tunability and simplification of the device selection challenge.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Albedo susceptibility of northeastern Pacific stratocumulus: the role of covarying meteorological conditions

Abstract. Quantification of the radiative adjustment of marine low clouds to aerosol perturbations, regionally and globally, remains the largest source of uncertainty in assessing current and future climate. One of the important steps towards quantifying the role of aerosol in modifying cloud radiative properties is to quantify the susceptibility of cloud albedo and liquid water path (LWP) to perturbations in cloud droplet number concentration (Nd). We use 10 years of spaceborne observations from the polar-orbiting Aqua satellite to quantify the albedo susceptibility of marine low clouds to Nd perturbations over the northeast (NE) Pacific stratocumulus (Sc) region. Mutual information analysis reveals a dominating control of cloud state (e.g., LWP and Nd) on low-cloud albedo susceptibility, relative to the meteorological states that drive these cloud states. Through a LWP–Nd space decomposition of albedo susceptibilities, we show clear separation among susceptibility regimes (brightening or darkening), consistent with previously established mechanisms through which aerosol modulates cloud properties. These regimes include (i) thin non-precipitating clouds (LWP < 55 g m−2) that exhibit brightening (occurring 37 % of the time), corresponding to the Twomey effect; (ii) thicker non-precipitating clouds, corresponding to entrainment-driven negative LWP adjustments that manifest as a darkening regime (36 % of the time); and (iii) another brightening regime (22 % of the time) consisting of mostly precipitating clouds, corresponding to precipitation-suppression LWP positive adjustments. Overall, we find an annual-mean regional low-cloud brightening potential of 20.8±2.68 W m−2 ln(Nd)−1, despite an overall negative LWP adjustment for non-precipitating marine stratocumulus, owing to the high occurrence of the Twomey–brightening regime. Over the NE Pacific, clear seasonal covariabilities among meteorological factors related to the large-scale circulation are found to play an important role in grouping conditions favorable for each susceptibility regime. When considering the covarying meteorological conditions, our results indicate that for the northeastern Pacific stratocumulus, clouds that exhibit the strongest brightening potential occur most frequently within shallow marine boundary layers over a cool ocean surface with a stable atmosphere and a dry free troposphere above. Clouds that exhibit a darkening potential associated with negative LWP adjustments occur most frequently within deep marine boundary layers in which the atmospheric instability and the ocean surface are not strong and warm enough to produce frequent precipitation. Cloud brightening associated with warm-rain suppression is found to preferably occur either under unstable atmospheric conditions or humid free-tropospheric conditions that co-occur with a warm ocean surface.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Quantifying and attributing time step sensitivities in present-day climate simulations conducted with EAMv1

Abstract. This study assesses the relative importance of time integration error in present-day climate simulations conducted with the atmosphere component of the Energy Exascale Earth System Model version 1 (EAMv1) at 1∘ horizontal resolution. We show that a factor-of-6 reduction of time step size in all major parts of the model leads to significant changes in the long-term mean climate. Examples of changes in 10-year mean zonal averages include the following: up to 0.5 K of warming in the lower troposphere and cooling in the tropical and subtropical upper troposphere, 1 %–10 % decreases in relative humidity throughout the troposphere, and 10 %–20 % decreases in cloud fraction in the upper troposphere and decreases exceeding 20 % in the subtropical lower troposphere. In terms of the 10-year mean geographical distribution, systematic decreases of 20 %–50 % are seen in total cloud cover and cloud radiative effects in the subtropics. These changes imply that the reduction of temporal truncation errors leads to a notable although unsurprising degradation of agreement between the simulated and observed present-day climate; to regain optimal climate fidelity in the absence of those truncation errors, the model would require retuning. A coarse-grained attribution of the time step sensitivities is carried out by shortening time steps used in various components of EAM or by revising the numerical coupling between some processes. Our analysis leads to the finding that the marked decreases in the subtropical low-cloud fraction and total cloud radiative effect are caused not by the step size used for the collectively subcycled turbulence, shallow convection, and stratiform cloud macrophysics and microphysics parameterizations but rather by the step sizes used outside those subcycles. Further analysis suggests that the coupling frequency between the subcycles and the rest of EAM significantly affects the subtropical marine stratocumulus decks, while deep convection has significant impacts on trade cumulus. The step size of the cloud macrophysics and microphysics subcycle itself appears to have a primary impact on cloud fraction in the upper troposphere and also in the midlatitude near-surface layers. Impacts of step sizes used by the dynamical core and the radiation parameterization appear to be relatively small. These results provide useful clues for future studies aiming at understanding and addressing the root causes of sensitivities to time step sizes and process coupling frequencies in EAM. While this study focuses on EAMv1 and the conclusions are likely model-specific, the presented experimentation strategy has general value for weather and climate model development, as the methodology can help researchers identify and understand sources of time integration error in sophisticated multi-component models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Large-Eddy Simulations of Convection Initiation over Heterogeneous, Low Terrain

Abstract Large-eddy simulations are conducted to investigate and physically interpret the impacts of heterogeneous, low terrain on deep-convection initiation (CI). The simulations are based on a case of shallow-to-deep convective transition over the Amazon River basin, and use idealized terrains with varying levels of ruggedness. The terrain is designed by specifying its power-spectral shape in wavenumber space, inverting to physical space assuming random phases for all wave modes, and scaling the terrain to have a peak height of 200 m. For the case in question, these modest terrain fields expedite CI by up to 2–3 h, largely due to the impacts of the terrain on the size of, and subcloud support for, incipient cumuli. Terrain-induced circulations enhance subcloud kinetic energy on the mesoscale, which is realized as wider and longer-lived subcloud circulations. When the updraft branches of these circulations breach the level of free convection, they initiate wider and more persistent cumuli that subsequently undergo less entrainment-induced cloud dilution and detrainment-induced mass loss. As a result, the clouds become more vigorous and penetrate deeper into the troposphere. Larger-scale terrains are more effective than smaller-scale terrains in promoting CI because they induce larger enhancements in both the width and the persistence of subcloud updrafts.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Phase-Shifting Liquid Crystal Interferometers for Microgravity Fluid Physics

The initial focus of this project was to eliminate both of these problems in the Liquid Crystal Point-Diffraction Interferometer (LCPDI). Progress toward that goal will be described, along with the demonstration of a phase shifting Liquid Crystal Shearing Interferometer (LCSI) that was developed as part of this work. The latest LCPDI, other than a lens to focus the light from a test section onto a diffracting microsphere within the interferometer and a collimated laser for illumination, the pink region contained within the glass plates on the rod-mounted platform is the complete interferometer. The total width is approximately 1.5 inches with 0.25 inches on each side for bonding the electrical leads. It is 1 inch high and there are only four diffracting microspheres within the interferometer. As a result, it is very easy to align, achieving the first goal. The liquid crystal electro-optical response time is a function of layer thickness, with thinner devices switching faster due to a reduction in long-range viscoelastic forces between the LC molecules. The LCPDI has a liquid crystal layer thickness of 10 microns, which is controlled by plastic or glass microspheres embedded in epoxy 'pads' at the corners of the device. The diffracting spheres are composed of polystyrene/divinyl benzene polymer with an initial diameter of 15 microns. The spheres deform slightly when the interferometer is assembled to conform to the spacing produced by the microsphere-filled epoxy spacer pads. While the speed of this interferometer has not yet been tested, previous LCPDIs fabricated at the Laboratory for Laser Energetics switched at a rate of approximately 3.3 Hz, a factor of 10 slower than desired. We anticipate better performance when the speed of these interferometers is tested since they are approximately three times thinner. Phase shifting in these devices is a function of the AC voltage level applied to the liquid crystal. As the voltage increases, the dye in the liquid crystal tends to become more transparent, thus introducing a rather large amount of error into the phase-shifting measurement. While that error can be greatly reduced by normalization, we prefer eliminating the source of the error. To that end, we have pursued development of a 'blend' of custom dyes that will not exhibit these properties. That goal has not yet been fully achieved. Guardalben, et al, presented a similar set of interferograms in a paper partially funded by this grant. Shearing interferometers are a second class of common path interferometers. Typically they consist of a thick glass plate optimized for equal reflection from the front and back surface. While not part of the original thrust of the project, through the course of laboratory work, we demonstrated a prototype of a shearing interferometer capable of phase shifting using a commercial liquid crystal retardation plate. A schematic of this liquid crystal shearing interferometer (LCSI) and a sample set of interferograms are in the reference. This work was also supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC03-92SF19460, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. Additional information is included in the original extended abstract.

Griffin, DeVon W.↗
DOE OSTI2023

The effectiveness of D 2 pellet injection in reducing intra-ELM and inter-ELM tungsten divertor erosion rates in DIII-D during the Metal Rings Campaign

Abstract Edge localized modes (ELMs) in H-mode plasmas erode plasma-facing components (PFCs) and lead to impurities in the core, reducing confinement. This study analyzes D 2 pellet injection on the DIII-D fusion experiment used as an ELM mitigation technique applied during the 2016 tungsten Metal Rings Campaign to reduce W erosion during ELMs. The 400.9 nm photon wavelength line emission intensity of tungsten atoms (WI) filterscope channels and Langmuir probes were used to infer the gross erosion rate of tungsten-coated tiles installed in the divertor of DIII-D. D 2 mass injection rates ranging from 34 to 41 arbitrary units (A.U.) and no D 2 injection resulted in a similar total W erosion rate during ELMs (intra-ELM). On average, results show a 29% increase in the total gross W erosion rate with intermediate mass injection rates (∼13–23 A.U.) compared to the no pellets and the highest injection rate cases. On average, the fast D 2 mass injection rate cases had 15% less erosion in the inter-ELM phase than the case with no pellets. Generally, higher D 2 mass injection rates increased the ELM frequency, and the highest injection rates reduced the average erosion per ELM and fractional carbon impurities at the top of the pedestal by nearly 40% when compared to the no-pellet case. As expected, a higher D 2 pellet injection rate led to a higher plasma density and lower plasma temperature in the divertor. Additionally, an increasing divertor inter-ELM plasma electron density directly correlated to more frequent pellet injection and a decrease in both the average gross intra-ELM W erosion and the total gross intra-ELM W erosion rate. Simulations of intra-ELM erosion using the ‘free-streaming plus recycling model’ (FSRM) underestimate W erosion during pellet injection by about 30% on average. The discrepancies between the experimental measurements and the FSRM intra-ELM W erosion predictions are postulated to be due to C/W material mixing. A simple analytic mixed-material model is presented and results in better agreement with the experimental data. These results highlight the importance of incorporating the effects of a mixed-material layer in the analysis of PFC erosion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Positioning Accuracy in a Concurrent Robot-CNC Hybrid Manufacturing System

Abstract Additive manufacturing (AM) has gained notoriety for offering advantages over traditional manufacturing methods, such as increased design complexity and flexibility. However, it has not found widespread use beyond rapid prototyping. One hindrance to the acceptance of AM processes in industry is the time and cost of fabrication per component. While metal AM by itself can be inexpensive, extra manufacturing steps in the form of subtractive manufacturing (SM) may need to be performed to reach final part tolerances, leading to hybrid additive-subtractive manufacturing (HASM) of a part, which increases time and cost. A potential area to reduce cost is through increasing the efficiency of the HASM process by conducting additive and subtractive manufacturing simultaneously. Usually, HASM is performed in a process where AM is completed in one machine or cell and transferred to another machine or cell for SM in a sequential assembly line process. This efficiency decreases part cost, but high aspect ratio parts or parts with internal geometry that require interleaved additive deposition and machining cannot be produced. One unexplored solution to simultaneous HASM that allows for interleaved operations is to operate the deposition head and machining spindle concurrently within the same machine envelope, known as concurrent HASM (CHASM). In this type of process, both AM and SM occur simultaneously on a batch of small parts or a single large part, maintaining a high efficiency without sacrificing the full range of complex geometries that AM allows for. A potential approach to the single-machine method could be to combine a robot and mill within the same envelope. A challenge to this approach, however, is control of both systems. Most machine controllers have limited external communication or, if a robot has been integrated, only offer movement of either the robot or mill at any given time. As a result, systems must pause either the AM or SM process to switch between them rather than working simultaneously. The present work investigates the positional accuracy of such a CHASM system comprised of a robotic arm and a 3-axis mill. Open-loop tests with limited communication between machines are performed on the system to verify positional error during concurrent robot-mill movements. Under certain conditions, it is demonstrated that position error can stay within 2 mm for the duration of a single layer; however, these tests show that, generally, the open-loop positioning performance of the system is inadequate for CHASM without part-specific hand-tuning of parameters. Based on these results, a set of requirements for successful robot-CNC CHASM is proposed for future integrations.

Goodwin, Jesse↗