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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Synthesis and structural characterization of ferrous trioctahedral smectites: Implications for clay mineral genesis and detectability on Mars

Widespread detections of phyllosilicates in Noachian terrains on Mars imply a history of near-surface fluid-rock interaction. Ferrous trioctahedral smectites are thermodynamically predicted products of basalt weathering on early Mars, but to date only Fe 3+ -bearing dioctahedral smectites have been identified from orbital observations. In general, the physicochemical properties of ferrous smectites are poorly studied because they are susceptible to air oxidation. In this study, eight Fe 2+ -bearing smectites were synthesized from Fe 2+ -Mg-Al silicate gels at 200°C under anoxic conditions. Samples were characterized by inductively coupled plasma optical emission spectrometry, powder X-ray diffraction, Fe K-edge X-ray absorption spectroscopy (XAS), Mössbauer spectroscopy, and visible/near-infrared (VNIR) reflectance spectroscopy. The range of redox states was Fe 3+ /ΣFe = 0 to 0.06 ± 0.01 as determined by both XAS and, for short integration times, Mössbauer. The smectites have 060 distances (d (060) ) between 1.53 and 1.56 Å, indicating a trioctahedral structure. d (060) and XAS-derived interatomic Fe-(Fe,Mg,Al) distance scaled with Fe content. Smectite VNIR spectra feature OH/H 2 O absorption bands at 1.4 and 1.9 µm, (Fe 2+ ,Mg,Al) 3 -OH stretching bands near 1.4 µm, and Fe 2+ Fe 2+ Fe 2+ -OH, MgMgMg-OH, AlAl(Mg,Fe 2+ )-OH, and AlAl-OH combination bands at 2.36 µm, 2.32 µm 2.25 µm, and 2.20 µm, respectively. The spectra for ferrous saponites are distinct from those for dioctahedral ferric smectites, permitting their differentiation from orbital observations. X-ray diffraction patterns for synthetic high-Mg ferrosaponite and high-Mg ferrian saponite are both consistent with the Sheepbed saponite detected by the chemistry and mineralogy (CheMin) instrument at Gale Crater, Mars, suggesting that anoxic basalt alteration was a viable pathway for clay mineral formation on early Mars.

58 GEOSCIENCES↗
DOE OSTI2016

Sensitivity of summer ensembles of fledgling superparameterized U.S. mesoscale convective systems to cloud resolving model microphysics and grid configuration

The sensitivities of simulated mesoscale convective systems (MCSs) in the central U.S. to microphysics and grid configuration are evaluated here in a global climate model (GCM) that also permits global-scale feedbacks and variability. Since conventional GCMs do not simulate MCSs, studying their sensitivities in a global framework useful for climate change simulations has not previously been possible. To date, MCS sensitivity experiments have relied on controlled cloud resolving model (CRM) studies with limited domains, which avoid internal variability and neglect feedbacks between local convection and larger-scale dynamics. However, recent work with superparameterized (SP) GCMs has shown that eastward propagating MCS-like events are captured when embedded CRMs replace convective parameterizations. This study uses a SP version of the Community Atmosphere Model version 5 (SP-CAM5) to evaluate MCS sensitivities, applying an objective empirical orthogonal function algorithm to identify MCS-like events, and harmonizing composite storms to account for seasonal and spatial heterogeneity. A five-summer control simulation is used to assess the magnitude of internal and interannual variability relative to 10 sensitivity experiments with varied CRM parameters, including ice fall speed, one-moment and two-moment microphysics, and grid spacing. MCS sensitivities were found to be subtle with respect to internal variability, and indicate that ensembles of over 100 storms may be necessary to detect robust differences in SP-GCMs. Furthermore, these results emphasize that the properties of MCSs can vary widely across individual events, and improving their representation in global simulations with significant internal variability may require comparison to long (multidecadal) time series of observed events rather than single season field campaigns.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

High-resolution photography of clouds from the surface: Retrieval of optical depth of thin clouds down to centimeter scales: High-Resolution Photography of Clouds

This article describes the approach and presents initial results, for a period of several minutes in north central Oklahoma, of an examination of clouds by high resolution digital photography from the surface looking vertically upward. A commercially available camera having 35-mm equivalent focal length up to 1200 mm (nominal resolution as fine as 6 µrad, which corresponds to 9 mm for cloud height 1.5 km) is used to obtain a measure of zenith radiance of a 30 m × 30 m domain as a two-dimensional image consisting of 3456 × 3456 pixels (12 million pixels). Downwelling zenith radiance varies substantially within single images and between successive images obtained at 4-s intervals. Variation in zenith radiance found on scales down to about 10 cm is attributed to variation in cloud optical depth (COD). Attention here is directed primarily to optically thin clouds, COD less than about 2. A radiation transfer model used to relate downwelling zenith radiance to COD and to relate the counts in the camera image to zenith radiance, permits determination of COD on a pixel-by-pixel basis. COD for thin clouds determined in this way exhibits considerable variation, for example, an order of magnitude within 15 m, a factor of 2 within 4 m, and 25% (0.12 to 0.15) over 14 cm. In conclusion, this approach, which examines cloud structure on scales 3 to 5 orders of magnitude finer than satellite products, opens new avenues for examination of cloud structure and evolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

The influence of model resolution on the simulated sensitivity of North Atlantic tropical cyclone maximum intensity to sea surface temperature

Global climate models (GCMs) are routinely relied upon to study the possible impacts of climate change on a wide range of meteorological phenomena, including tropical cyclones (TCs). Previous studies addressed whether GCMs are capable of reproducing observed TC frequency and intensity distributions. This research builds upon earlier studies by examining how well GCMs capture the physically relevant relationship between TC intensity and SST. Specifically, the influence of model resolution on the ability of a GCM to reproduce the sensitivity of simulated TC intensity to SST is examined for the MRI-AGCM (20 km), the GFDL-HiRAM (50 km), the FSU-COAPS (0.94°) model, and two versions of the CAM5 (1° and 0.25°). Results indicate that while a 1°C increase in SST corresponds to a 5.5–7.0 m s -1 increase in observed maximum intensity, the same 1°C increase in SST is not associated with a statistically significant increase in simulated TC maximum intensity for any of the models examined. However, it also is shown that the GCMs all capably reproduce the observed sensitivity of potential intensity to SST. The models generate the thermodynamic environment suitable for the development of strong TCs over the correct portions of the Nort h Atlantic basin, but strong simulated TCs do not develop over these areas, even for models that permit Category 5 TCs. This result supports the notion that direct simulation of TC eyewall convection is necessary to accurately represent TC intensity and intensification processes in climate models, although additional explanations are also explored.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Coupling Spectral-bin Cloud Microphysics with the MOSAIC Aerosol Model in WRF-Chem: Methodology and Results for Marine Stratocumulus Clouds

Aerosol-cloud interaction processes can be represented more physically with bin cloud microphysics relative to bulk microphysical parameterizations. However, due to computational power limitations in the past, bin cloud microphysics was often run with very simple aerosol treatments. The purpose of this study is to represent better aerosol-cloud interaction processes in the Chemistry version of Weather Research and Forecast model (WRF-Chem) at convection-permitting scales by coupling spectral-bin cloud microphysics (SBM) with the MOSAIC sectional aerosol model. A flexible interface is built that exchanges cloud and aerosol information between them. The interface contains a new bin aerosol activation approach, which replaces the treatments in the original SBM. It also includes the modified aerosol resuspension and in-cloud wet removal processes with the droplet loss tendencies and precipitation fluxes from SBM. The newly coupled system is evaluated for two marine stratocumulus cases over the Southeast Pacific Ocean with either a simplified aerosol setup or full-chemistry. We compare the aerosol activation process in the newly-coupled SBM-MOSAIC against the SBM simulation without chemistry using a simplified aerosol setup, and the results show consistent activation rates. A longer time simulation reinforces that aerosol resuspension through cloud drop evaporation plays an important role in replenishing aerosols and impacts cloud and precipitation in marine stratocumulus clouds. Evaluation of the coupled SBM-MOSAIC with full-chemistry using aircraft measurements suggests that the new model works realistically for the marine stratocumulus clouds, and improves the simulation of cloud microphysical properties compared to a simulation using MOSAIC coupled with the Morrison two-moment microphysics.

Gao, Wenhua↗
DOE OSTI2016

The impact of the diurnal cycle on the propagation of Madden-Julian Oscillation convection across the Maritime Continent

Influences of the diurnal cycle of convection on the propagation of the Madden-Julian Oscillation (MJO) across the Maritime Continent (MC) are examined using cloud-permitting regional model simulations and observations. A pair of ensembles of control (CONTROL) and no-diurnal cycle (NODC) simulations of the November 2011 MJO episode are performed. In the CONTROL simulations, the MJO signal is weakened as it propagates across the MC, with much of the convection stalling over the large islands of Sumatra and Borneo. In the NODC simulations, where the incoming shortwave radiation at the top of the atmosphere is maintained at its daily mean value, the MJO signal propagating across the MC is enhanced. Examination of the surface energy fluxes in the simulations indicates that in the presence of the diurnal cycle, surface downwelling shortwave radiation in CONTROL simulations is larger because clouds preferentially form in the afternoon. Furthermore, the diurnal co-variability of surface wind speed and skin temperature results in a larger sensible heat flux and a cooler land surface in CONTROL compared to NODC simulations. Here, an analysis of observations indicates that the modulation of the downwelling shortwave radiation at the surface by the diurnal cycle of cloudiness negatively projects on the MJO intraseasonal cycle and therefore disrupts the propagation of the MJO across the MC.

58 GEOSCIENCES↗
DOE OSTI2017

Measurement and simulation of heat exchange in fractured bedrock using inert and thermally degrading tracers

Multicomponent groundwater tracer tests were conducted in a well-characterized field site in Altona, NY using inert carbon-cored nanoparticles and a thermally degrading phenolic compound. Experiments were conducted in a mesoscale reservoir consisting of a single subhorizontal bedding plane fracture located 7.6 m below ground surface contained between two wells separated by 14.1 m. The reservoir rock, initially at 11.78C, was heated using 748C water. During the heating process, a series of tracer tests using thermally degrading tracers were used to characterize the progressive in situ heating of the fracture. Fiber-Optic Distributed Temperature Sensing (FODTS) was used to measure temperature rise orthogonal to the fracture surface at 10 locations. Recovery of the thermally degrading tracer’s product was increased as the reservoir was progressively heated indicating that the advancement of the thermal front was proportional to the mass fraction of the thermally degrading tracer recovered. Both GPR imaging and FODTS measurements reveal that flow was reduced to a narrow channel which directly connected the two wells and led to rapid thermal breakthrough. Computational modeling of inert tracer and heat transport in a two-dimensional discrete fracture demonstrate that subsurface characterization using inert tracers alone could not uniquely characterize the Altona field site. However, the inclusion of a thermally degrading tracer may permit accurate subsurface temperature monitoring. At the Altona field site, however, fluid-rock interactions appear to have increased reaction rates relative to laboratory-based measurements made in the absence of rock surfaces.

58 GEOSCIENCES↗
DOE OSTI2018

How Do Microphysical Processes Influence Large-Scale Precipitation Variability and Extremes?

Convection permitting simulations using the Model for Prediction Across Scales-Atmosphere (MPAS-A) are used to examine how microphysical processes affect large-scale precipitation variability and extremes. An episode of the Madden-Julian Oscillation is simulated using MPAS-A with a refined region at 4-km grid spacing over the Indian Ocean. It is shown that cloud microphysical processes regulate the precipitable water (PW) statistics. Because of the non-linear relationship between precipitation and PW, PW exceeding a certain critical value (PWcr) contributes disproportionately to precipitation variability. However, the frequency of PW exceeding PWcr decreases rapidly with PW, so changes in microphysical processes that shift the column PW statistics relative to PWcr even slightly have large impacts on precipitation variability. Furthermore, precipitation variance and extreme precipitation frequency are approximately linearly related to the difference between the mean and critical PW values. Thus observed precipitation statistics could be used to directly constrain model microphysical parameters as this study demonstrates using radar observations from DYNAMO field campaign.

58 GEOSCIENCES↗
DOE OSTI2017

Constraining the Magmatic System at Mount St. Helens (2004-2008) Using Bayesian Inversion With Physics-Based Models Including Gas Escape and Crystallization

Physics-based models of volcanic eruptions track conduit processes as functions of depth and time. When used in inversions, these models permit integration of diverse geological and geophysical data sets to constrain important parameters of magmatic systems. We develop a 1-D steady state conduit model for effusive eruptions including equilibrium crystallization and gas transport through the conduit and compare with the quasi-steady dome growth phase of Mount St. Helens in 2005. Viscosity increase resulting from pressure-dependent crystallization leads to a natural transition from viscous flow to frictional sliding on the conduit margin. Erupted mass flux depends strongly on wall rock and magma permeabilities due to their impact on magma density. Including both lateral and vertical gas transport reveals competing effects that produce nonmonotonic behavior in the mass flux when increasing magma permeability. Using this physics-based model in a Bayesian inversion, we link data sets from Mount St. Helens such as extrusion flux and earthquake depths with petrological data to estimate unknown model parameters, including magma chamber pressure and water content, magma permeability constants, conduit radius, and friction along the conduit walls. Even with this relatively simple model and limited data, we obtain improved constraints on important model parameters. We find that the magma chamber had low (<5 wt %) total volatiles and that the magma permeability scale is well constrained at ~10 –11.4 m 2 to reproduce observed dome rock porosities. Here, compared with previous results, higher magma overpressure and lower wall friction are required to compensate for increased viscous resistance while keeping extrusion rate at the observed value.

58 GEOSCIENCES↗
DOE OSTI2023

Controlled In Situ Foaming for Mechanical Responsiveness of Architected Foams

Addition of chemical blowing agents to polysiloxane resins produces foams with closed–cell morphology. Combining this chemistry with the 3D–printing technique direct ink writing (DIW) permits the creation of architected foams with controllable, hierarchical tiers of porosity. Here, using a two–component foaming ink, the extent of foaming can be controlled by incorporating an active mixing printhead as part of the fabrication process. Changes in the mixing speed allows for in situ control of the foaming reaction where the mixing speed is directly correlated with the resulting foaming that occurs upon extrusion. These architected foams display tunable mechanical responses, porosities, and open–to–closed cell ratios. While chemically blown polysiloxane foam is a well–established material, utilizing DIW as fabrication technique presents a novel approach for creating tailored, architected foams that require minimal post–processing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Computational chemistry-guided designs of chemoresponsive liquid crystals (LCs) with pyridine or pyrimidine groups that bind to metal-cation-functionalized surfaces to provide improved selective responses to targeted vapor species (dimethylmethylphosphonate (DMMP)) over nontargeted species (water) are reported. The LC designs against experiments are tested by synthesizing 4-(4-pentyl-phenyl)-pyridine and 5-(4-pentyl-phenyl)-pyrimidine and quantifying LC responses to DMMP and water. Consistent with the computations, pyridine-containing LCs bind to metal-cation-functionalized surfaces too strongly to permit a response to either DMMP or water whereas pyrimidine-containing LCs undergo a surface-driven orientational transition in response to DMMP without interference from water. The computation predictions are not strongly dependent on assumptions regarding the degree of coordination of the metal ions but are limited in their ability to predict LC responses when using cations with mostly empty d orbitals. Overall, this work identifies a promising new class of chemoresponsive LCs based on pyrimidine that exhibits enhanced tolerance to water, a result that is important because water is a ubiquitous and particularly challenging chemical interferent in chemical sensing strategies based on LCs. The work also provides further evidence of the transformative utility of computational chemistry methods to design LC materials that exhibit selective orientational responses in specific chemical environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synergistic Effect of Graphene Oxide for Impeding the Dendritic Plating of Li

Dendritic growth of lithium (Li) has severely impeded the practical application of Li-metal batteries. Herein, a 3D conformal graphene oxide nanosheet (GOn) coating, confined into the woven structure of a glass fiber separator, is reported, which permits facile transport of Li-ions thought its structure, meanwhile regulating the Li deposition. Electrochemical measurements illustrate a remarkably enhanced cycle life and stability of the Li-metal anode, which is explained by various microscopy and modeling results. Utilizing scanning electron microscopy, focused ion beam, and optical imaging, the formation of an uniform Li film on the electrode surface in the case of GO-modified samples is revealed. Ab initio molecular dynamics (AIMD) simulations suggest that Li-ions initially get adsorbed to the lithiophilic GOn and then diffuse through defect sites. This delayed Li transfer eliminates the “tip effect” leading to a more homogeneous Li nucleation. Meanwhile, C-C bonds rupture observed in the GO during AIMD simulations creates more pathways for faster Li-ions transport. In addition, phase-field modeling demonstrates that mechanically rigid GOn coating with proper defect size (smaller than 25 nm) can physically block the anisotropic growth of Li. This new understanding is a significant step toward the employment of 2D materials for regulating the Li deposition

25 ENERGY STORAGE↗
DOE OSTI2021

Rare-Earth Permanent Magnet SmCo 5 for Chiral Interfacial Spin-Orbitronics

Interfacially asymmetric magnetic multilayers made of heavy metal/ferromagnet have attracted considerable attention in the spintronics community for accommodating spin-orbit torques (SOTs) and meanwhile for hosting chiral spin textures. In these multilayers, the accompanied interfacial Dzyaloshinskii–Moriya interaction (iDMI) permits the formation of Néel-type spin textures. While significant progresses have been made in Co, CoFeB, Co 2 FeAl, CoFeGd based multilayers, it would be intriguing to identify new magnetic multilayers that could enable spin-torque controllability and meanwhile host nanoscale skyrmions. In this report, first, thin films made of permanent magnet SmCo 5 with perpendicular magnetic anisotropy are synthesized, in which the deterministic SOT switching, enabled by the spin Hall effect, in Pt/SmCo 5 /Ta trilayer is demonstrated. Further, the stabilization of room-temperature skyrmions with diameters ≈100 nm in [Pt/SmCo 5 /Ta] 15 , together with a skyrmionium-like spin texture in [Pt/SmCo 5 /Ir] 15 multilayers is shown. Based on the material specific parameters, micromagnetic simulations are also carried out. The results confirm the presence of chiral spin textures in this new material family. Through interfacial engineering, the results thus demonstrate that rare earth permanent magnets could be a new platform for studying interfacial chiral spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct Imaging of Antiferromagnet-Ferromagnet Phase Transition in van der Waals Antiferromagnet CrSBr

The advent of van der Waals (vdW) ferromagnetic (FM) and antiferromagnetic (AFM) materials offers unprecedented opportunities for spintronics and magneto-optic devices. Combining magnetic Kerr microscopy and density functional theory calculations, the AFM-FM transition is investigated and a surprising abnormal magneto-optic anisotropy in vdW CrSBr associated with different magnetic phases (FM, AFM, or paramagnetic state) is discovered. This unique magneto-optic property leads to different anisotropic optical reflectivity from different magnetic states, permitting direct imaging of the AFM Néel vector orientation and the dynamic process of the AFM-FM transition within a magnetic field. Using Kerr microscopy, not only the domain nucleation and propagation process is imaged but also the intermediate spin-flop state in the AFM-FM transition is identified. In conclusion, the unique magneto-optic property and clear identification of the dynamics process of the AFM-FM phase transition in CrSBr demonstrate the promise of vdW magnetic materials for future spintronic technology.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Facile Fabrication of Large‐Area Atomically Thin Membranes by Direct Synthesis of Graphene with Nanoscale Porosity

Abstract Direct synthesis of graphene with well‐defined nanoscale pores over large areas can transform the fabrication of nanoporous atomically thin membranes (NATMs) and greatly enhance their potential for practical applications. However, scalable bottom‐up synthesis of continuous sheets of nanoporous graphene that maintain integrity over large areas has not been demonstrated. Here, it is shown that a simple reduction in temperature during chemical vapor deposition (CVD) on Cu induces in‐situ formation of nanoscale defects (≤2–3 nm) in the graphene lattice, enabling direct and scalable synthesis of nanoporous monolayer graphene. By solution‐casting of hierarchically porous polyether sulfone supports on the as‐grown nanoporous CVD graphene, large‐area (>5 cm 2 ) NATMs for dialysis applications are demonstrated. The synthesized NATMs show size‐selective diffusive transport and effective separation of small molecules and salts from a model protein, with ≈2–100× increase in permeance along with selectivity better than or comparable to state‐of‐the‐art commercially available polymeric dialysis membranes. The membranes constitute the largest fully functional NATMs fabricated via bottom‐up nanopore formation, and can be easily scaled up to larger sizes permitted by CVD synthesis. The results highlight synergistic benefits in blending traditional membrane casting with bottom‐up pore creation during graphene CVD for advancing NATMs toward practical applications.

Kidambi, Piran R.↗