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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Rotational Dynamics and Transition Mechanisms of Surface-Adsorbed Proteins

Assembly of biomolecules at solid-water interfaces requires molecules to traverse complex orientation-dependent energy landscapes through processes that are poorly understood, largely due to the dearth of in-situ single molecule measurements and statistical analyses of the rotational dynamics that define directional selection. Emerging capabilities in high-speed atomic force microscopy and machine learning have allowed us to directly determine the orientational energy landscape and observe and quantify the rotational dynamics for protein nanorods on the surface of muscovite mica under a variety of conditions. Comparisons with kinetic Monte Carlo simulations show that the transition rates between adjacent orientation-specific energetic minima can largely be understood through traditional models of in-plane Brownian rotation across a biased energy landscape, with resulting transition rates that are exponential in the energy-barriers between states. However, transitions between more distant angular states are decoupled from barrier height, with jump-size distributions showing a power-law decay that is characteristic of a non-classical Levy-flight random walk, indicating that large jumps are enabled by alternative modes of motion via activated states. The findings provide new insights into the dynamics of biomolecules at solid-liquid interfaces that lead to self-assembly, epitaxial matching and other orientationally anisotropic outcomes and define a general procedure for exploring such dynamics with implications for hybrid biomolecular-inorganic materials design.

Orientational energy landscapes, Rotational dynami↗
DOE OSTI2024

Wall heating by subcritical energetic electrons generated by the runaway electron avalanche source *

Abstract Subcritical energetic electrons (SEEs) produced by the runaway electron (RE) avalanche source at energies below the runaway threshold are found to be the primary contributor to surface heating of plasma-facing components (PFCs) during final loss events. This finding is supported by theoretical analysis, computational modeling with the Kinetic Orbit Runaway electrons Code (KORC), and qualitative agreement with DIII-D experimental observations. The avalanche source generates significantly more secondary electrons below the runaway threshold, which thermalize rapidly when well-confined. However, during a final loss event, the RE beam impacts the first wall, and SEEs are deconfined before they can thermalize. Additionally, because the energy deposition length decreases faster than energy, the deposited energy density, and thus the maximum PFC surface temperature change, is larger for SEEs than REs. KORC simulations employ an analytic first wall to model particle deconfinement onto a non-axisymmetric wall composed of individual tiles. PFC surface heating is calculated using a 1D model extended to include an energy-dependent deposition length scale. Simulations of DIII-D qualitatively agree with infrared (IR) imaging only when SEEs from the avalanche source are included. These results demonstrate that SEEs are the dominant contributor to PFC surface heating and indicate that the avalanche source plays a critical role in the PFC damage caused during final loss events. The prominence of SEEs also has important implications for interpreting IR imaging, one of the primary diagnostics for RE-wall interaction diagnosis, despite REs dominating the energy and current density. This result improves predictions of wall damage due to post-disruption REs to estimate material lifetime and design RE mitigation systems for ITER and future reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Determining the Adsorption Energetics of 2,3-Butanediol on RuO 2 (110): Coupling First-Principles Calculations With Global Optimizers

As climate change continues to pose a threat to the Earth due to the disrupted carbon cycles and fossil fuel resources remain finite, new sources of sustainable hydrocarbons must be explored. 2,3-butanediol is a potential source to produce butene because of its sustainability as a biomass-derived sugar. Butene is an attractive product because it can be used as a precursor to jet fuel, categorizing this work in the alcohol-to-jet pathway. While studies have explored the conversion of 2,3-butanediol to butene, little is understood about the fundamental reaction itself. We quantify the energetics for three pathways that were reported in the literature in the absence of a catalyst. One of these pathways forms a 1,3-butadiene intermediate, which is a highly exothermic process and thus is unlikely to occur since 2,3-butanediol likely gets thermodynamically trapped at this intermediate. We further determined the corresponding energetics of 2,3-butanediol adsorption on an ensemble of predetermined binding sites when it interacts with a defect-free stoichiometric RuO 2 (110) surface. Within this ensemble of adsorption sites, the most favorable site has 2,3-butanediol covering a Ru 5–coordinated cation. This approach is compared to that obtained using the global optimization algorithm as implemented in the Northwest Potential Energy Surface Search Engine. When using such a global optimization algorithm, we determined a more favorable ground-state structure that was missed during the manual adsorption site testing, with an adsorption energy of -2.61 eV as compared to -2.34 eV when using the ensemble-based approach. We hypothesize that the dehydration reaction requires a stronger chemical bond, which could necessitate the formation of oxygen vacancies. As such, this study has taken the first step toward the utilization of a global optimization algorithm for the rational design of Ru-based catalysts toward the formation of butene from sustainable resources.

09 BIOMASS FUELS↗
NASA NTRS1981

Two-dimensional electron beam charging model for polymer films

A two-dimensional model is developed to describe the charging of strips of thin polymer films above a grounded substrate exposed to a uniform mono-energetic electron beam. The study is motivated by the observed anomalous behavior of geosynchronous satellites, which has been attributed to differential charging of the satellite surfaces exposed to magnetospheric electrons. Surface and bulk electric fields are calcuated at steady state in order to identify regions of high electrical stress, with emphasis on behavior near the material's edge. The model is used to study the effects of some of the experimental parameters, notably beam energy, beam angle of incidence, beam current density, material thickness and material width. Also examined are the consequences of a central gap in the material and a discontinuity in the material thickness.

Reeves, R. D.↗
NASA NTRS1987

Si(111) cleavage and the (2 x 1) reconstruction process

Using a computer simulation technique with a semiempirical potential, a Si crystal was cleaved along the (111) plane. The pi-bonded chain structural features of the Si(111) cleavage surface are observed and found to be a consequence of the dynamics of this cleavage process and seem not to be influenced by the final energetics.

Pearson, E. M.↗
NASA NTRS1996

Turbulent Compressible Convection with Rotation: Flow Structure and Evolution - Part 1

The effects of Coriolis forces on compressible convection are studied using three-dimensional numerical simulations carried out within a local modified f-plane model. The physics is simplified by considering a perfect gas occupying a rectilinear domain placed tangentially to a rotating sphere at various latitudes, through which a destabilizing heat flux is driven. The resulting convection is considered for a range of Rayleigh, Taylor, and Prandtl (and thus Rossby) numbers, evaluating conditions where the influence of rotation is both weak and strong. Given the computational demands of these high-resolution simulations, the parameter space is explored sparsely to ascertain the differences between laminar and turbulent rotating convection. The first paper in this series examines the effects of rotation on the flow structure within the convection, its evolution, and some consequences for mixing. Subsequent papers consider the large-scale mean shear flows that are generated by the convection, and the effects of rotation on the convective energetics and transport properties. It is found here that the structure of rotating turbulent convection is similar to earlier nonrotating studies, with a laminar, cellular surface network disguising a fully turbulent interior punctuated by vertically coherent structures. However, the temporal signature of the surface flows is modified by inertial motions to yield new cellular evolution patterns and an overall increase in the mobility of the network. The turbulent convection contains vortex tubes of many scales, including large-scale coherent structures spanning the full vertical extent of the domain involving multiple density scale heights. Remarkably, such structures align with the rotation vector via the influence of Coriolis forces on turbulent motions, in contrast with the zonal tilting of streamlines found in laminar flows. Such novel turbulent mechanisms alter the correlations which drive mean shearing flows and affect the convective transport properties. In contrast to this large-scale anisotropy, small-scale vortex tubes at greater depths are randomly orientated by the rotational mixing of momentum, leading to an increased degree of isotropy on the medium to small scales of motion there. Rotation also influences the thermodynamic mixing properties of the convection. In particular, interaction of the larger coherent vortices causes a loss of correlation between the vertical velocity and the temperature leaving a mean stratification which is not isentropic.

Brummell, Nicholas H.↗
NASA NTRS2008

Impact of Universal Plasma and Energetic Particle Processes on Icy Bodies of the Kuiper Belt and the Oort Cloud

Modeling of space plasma and energetic particle interactions with icy bodies of the outer solar system is simplified when there is commonality of the underlying source, acceleration, and transport processes in spatially distinct regions from the supersonic heliosphere through the heliosheath into the local interstellar medium (LISM). Current trends in the Voyager heliosheath measurements suggest strong commonality to processes in the LISM. The Fisk-Gloeckler "universal" spectrum at suprathermal energies apparently plays a strong role in coupling the plasma and high energy particle regimes in the spatial and energetic transitions from the outer heliosphere to the LISM. Dominant processes in consecutive energy regimes project to varying effects versus irradiation depth on exposed upper surfaces of airless small icy bodies and to upper atmospheres of larger bodies such as Titan and Pluto. Relative absence of the universal suprathermal spectrum in the mid-heliospheric region of the classical Kuiper Belt may profoundly affect surface color diversity of icy bodies in this region.

Cooper, John F.↗
NASA NTRS2011

Using Supra-Arcade Downflows as Probes of Electron Acceleration During Solar Flares

Extracting information from coronal features above flares has become more reliable with the availability of increasingly higher spatial and temporal-resolution data in recent decades. We are now able to sufficiently probe the region high above long-duration flaring active regions where reconnection is expected to be continually occurring. Flows in the supra-arcade region, first observed with Yohkoh/SXT, have been theorized to be associated with newly-reconnected outflowing loops. High resolution data appears to confirm these assertions. Assuming that these flows are indeed reconnection outflows, then the detection of those directed toward the solar surface (i.e. downflowing) should be associated with particle acceleration between the current sheet and the loop footpoints rooted in the chromosphere. RHESSI observations of highly energetic particles with respect to downflow detections could potentially constrain electron acceleration models. I will discuss measurements of these supra-arcade downflows (SADs) in relation to reconnection model parameters and present preliminary findings comparing the downflow timings with high-energy RHESSI lightcurves.

Savage, Sabrina L.↗
NASA NTRS2010

An Assessment of the Surface Longwave Direct Radiative Effect of Airborne Saharan Dust During the NAMMA Field Campaign

In September 2006, NASA Goddard s mobile ground-based laboratories were deployed to Sal Island in Cape Verde (16.73degN, 22.93degW) to support the NASA African Monsoon Multidisciplinary Analysis (NAMMA) field study. The Atmospheric Emitted Radiance Interferometer (AERI), a key instrument for spectrally characterizing the thermal IR, was used to retrieve the dust IR aerosol optical depths (AOTs) in order to examine the diurnal variability of airborne dust with emphasis on three separate dust events. AERI retrievals of dust AOT are compared with those from the coincident/collocated multifilter rotating shadow-band radiometer (MFRSR), micropulse lidar (MPL), and NASA Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) sensors. The retrieved AOTs are then inputted into the Fu-Liou 1D radiative transfer model to evaluate local instantaneous direct longwave radiative effects (DRE(sub LW)) of dust at the surface in cloud-free atmospheres and its sensitivity to dust microphysical parameters. The top-of-atmosphere DRE(sub LW) and longwave heating rate profiles are also evaluated. Instantaneous surface DRE(sub LW) ranges from 2 to 10 W/sq m and exhibits a strong linear dependence with dust AOT yielding a DRE(sub LW) of 16 W/sq m per unit dust AOT. The DRE(sub LW) is estimated to be approx.42% of the diurnally averaged direct shortwave radiative effect at the surface but of opposite sign, partly compensating for the shortwave losses. Certainly nonnegligible, the authors conclude that DRE(sub LW) can significantly impact the atmospheric energetics, representing an important component in the study of regional climate variation.

Hansell, R. A.↗
NASA NTRS2012

Using Supra-Arcade Downflows as Probes of Particle Acceleration in Solar Flares

Extracting information from coronal features above flares has become more reliable with the availability of increasingly higher spatial- and temporal-resolution data in recent decades. We are now able to sufficiently probe the region high above long-duration flaring active regions where reconnection is expected to be continually occurring. Flows in the supra-arcade region, first observed with Yohkoh/SXT, have been theorized to be associated with newly-reconnected outflowing loops. High resolution data appears to confirm these assertions. Assuming that these flows are indeed reconnection outflows, then the detection of those directed toward the solar surface (i.e. downflowing) should be associated with particle acceleration between the current sheet and the loop footpoints rooted in the chromosphere. RHESSI observations of highly energetic particles with respect to downflow detections could potentially constrain electron acceleration models. We provide measurements of these supra-arcade downflows (SADs) in relation to reconnection model parameters and present preliminary findings comparing the downflow timings with high-energy RHESSI lightcurves.

Savage, Sabrina↗
NASA NTRSDate not supplied

NASA Radiation Operations Sources, Models, and Standards

Space radiation is one of the major challenges of spaceflight. Astronauts spending time in low Earth orbit, the lunar surface, deep space, and elsewhere will all be exposed to multiple space radiation sources. These sources include trapped radiation in Earth’s upper atmosphere, solar energetic particles, and the omnipresent galactic cosmic radiation, as well as non-ionizing radiation from inside and outside a vehicle or habitat. The Space Radiation Analysis Group (SRAG) at Johnson Space Center is responsible for ensuring astronauts are protected from short- and long-term risks of radiation exposure. This talk details the radiation operational standards employed by NASA.

space radiation↗
DOE OSTI2021

Probing basal planes and edge sites in polygranular nuclear graphite by gas adsorption: Estimation of active surface area

Polygranular nuclear graphite, manufactured at 2800–3000 °C from a carbonized filler and binder mix, has high graphitization degree, crystalline structure close to perfect graphite, and about 20% porosity. The pore surfaces expose large regions of rough, defective prismatic edges of graphite crystallites which are the locus of graphite materials surface sites active for oxidation, chemisorption, and electron transfer. However, we show that high-resolution N 2 and Kr first monolayer adsorption on polygranular graphite (P/P 0 < 0.015) occurs in many ways like adsorption on graphitized carbon blacks. This proves the presence of energetically homogeneous basal planes domains in graphite porosity, which was not fully acknowledged before. Using classical analysis methods (Langmuir, Hill-de Boer, adsorption potential distribution) we quantity the basal plane area (BPA) of several polygranular graphite types and correlate it with their microstructure. Finally, we propose that gas adsorption is uniquely positioned to reliably estimate the active surface area of graphite by subtracting BPA from the BET total surface area. Direct estimation based on adsorption is preferable to indirect calculations based on microstructural information.

36 MATERIALS SCIENCE↗
NASA NTRS2019

Surface Roughness-Induced Spectral Degradation of Multi-Spaceborne Solar Diffusers Due to Space Radiation Exposure

Solar diffusers (SDs) have often been used as the onboard calibrators for the radiometric calibration of reflective solar band imaging sensors. After being spaceborne, the reflectance of SDs is observed to degrade with spectral dependence due to exposure to solar UV and energetic particle radiation. Long-term spectral reflectance data of SDs onboard multiple LEO imaging sensors, such as the Moderate Resolution Imaging Spectroradiometer (MODIS) on Terra and Aqua and the Visible Infrared Imaging Radiometer Suite (VIIRS) on SNPP, are analyzed. The reflectance of SDs on these three instruments degrades faster for the shorter wavelength (0.4-0.6 μm) bands than the longer wavelength bands. The Surface Roughness-induced Rayleigh Scattering (SRRS) model is applied to simulate the SD degradation on these instruments, and the growth of the surface roughness parameter of the SDs is derived. It is determined that the change of surface roughness scale length is ~tens of nanometers. To show the consistency of roughness growth rates among the SDs on Terra/Aqua MODIS and SNPP VIIRS instruments, the functional dependences of the growth rates are characterized according to the SD exposure time and the stage of surface roughness. It is also found that the flattening or reverse in the growth trend of the surface roughness for these three SDs occurred around the same interval between October 2013 and October 2015. The confirmation of the applicability of SRRS model with the long-term spectral reflectance data from three independent spaceborne SDs facilitates a better understanding of the origin and physical processes of the SD degradation.

Visible Infrared Imaging Radiometer Suite (VIIRS)↗
NASA NTRS1984

Fracto-emission - The role of charge separation

Fracto-emission is the emission of particles (e.g., electrons, ions, ground state and excited neutrals, and photons) during and following fracture. It is found that during fracture in vacuum of adhesive bonds and crystalline materials involving large amounts of charge separation on the surface the emission of charged particles, excited neutrals, light, and radio waves occurs with unique and revealing time dependencies. Simultaneous fracto-emission measurements on several systems are reported. The results are interpreted in terms of a conceptual model involving the following steps: (1) charge separation due to fracture, (2) desorption of gases from the material into the crack tip, (3) a gas discharge in the crack, (4) energetic bombardment of the freshly created crack walls, and (5) thermally stimulated electron emission, accompanied by electron stimulated desorption of ions and excited neutrals. In addition to evidence from fracture experiments, results from studies of electron bombardment of a polymer surface are presented.

Dickinson, J. T.↗
NASA NTRS2003

Kinetic Roughening and Energetics of Tetragonal Lysozyme Crystal Growth

Lysozyme crystal growth rates over 5 orders of magnitude in range can be described using a layer-by-layer model where growth occurs by 2D nucleation on the crystal surface. Based upon the 2D nucleation model of layer growth, the effective barrier for growth was determined to be gamma = 1.3 plus or minus 0.3 x 10(exp -13) erg/molecule, corresponding to a barrier of 3.2 plus or minus 0.7 k(sub B)T, at 22 C. For solution supersaturation, In c/c(sub eq) greater than or equal to 1.9 plus or minus 0.2, the nucleation model would not predict or consistently estimate the highest observable crystal growth rates. As such, a kinetic roughening hypothesis where crystal growth occurs by a continuous mode was implemented for all growth rate data obtained above In c(sub r)/c(sub eq) greater than or equal to 2. That is, independent of the solution conditions that vary with either buffer pH, temperature or precipitant concentration, crystal growth occurs by the continuous addition of molecules anywhere on the crystal surface, above a roughening solution supersaturation. The energy barrier, E(sub c), for the continuous growth process is determined as 6.1 plus or minus 0.4 x 10(exp -13) erg/molecule or 15 plus or minus 1 k(sub B)T at 22 C.

Gorti, Sridhar↗
DOE OSTI2024

Synergistic Effects of the Electric Field Induced by Imidazolium Rotation and Hydrogen Bonding in Electrocatalysis of CO 2

The roles of the ionic liquid, 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF₄]), and water in controlling the mechanism, energetics, and electrocatalytic activity of CO₂ reduction to CO on silver in non-aqueous electrolytes were investigated. The first electron transfer occurs to CO₂ at reduced overpotentials when it is trapped between the planes of [EMIM]⁺ ring and electrode surface due to cation re-orientation as determined from voltammetry, in-situ surface-enhanced Raman spectroscopy, and density functional theory calculations. Within this interface, water up to 0.5 M does not induce significant faradaic activity, opposing the notion of it as a free proton source. Instead, water acts as a hydrogen bond donor and the proton is sourced from [EMIM]⁺. Furthermore, this study demonstrates that alcohols with varying acidity tune the hydrogen bonding network in the interfacial microenvironment to lower the energetics required for CO₂ reduction. Here, the hydrogen bonding suppresses the formation of inactive carboxylate species, thus preserving the catalytic activity of [EMIM]⁺. The ability to tune the hydrogen bonding network opens new avenues for advancing IL-mediated electrocatalytic reactions in non-aqueous electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Parallel-processing with surface plasmons, a new strategy for converting the broad solar spectrum

A new strategy for efficient solar-energy conversion is based on parallel processing with surface plasmons: guided electromagnetic waves supported on thin films of common metals like aluminum or silver. The approach is unique in identifying a broadband carrier with suitable range for energy transport and an inelastic tunneling process which can be used to extract more energy from the more energetic carriers without requiring different materials for each frequency band. The aim is to overcome the fundamental 56-percent loss associated with mismatch between the broad solar spectrum and the monoenergetic conduction electrons used to transport energy in conventional silicon solar cells. This paper presents a qualitative discussion of the unknowns and barrier problems, including ideas for coupling surface plasmons into the tunnels, a step which has been the weak link in the efficiency chain.

Anderson, L. M.↗