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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Transient photoresponse of nitrogen-doped ultrananocrystalline diamond electrodes in saline solution

Beyond conventional electrically-driven neuronal stimulation methods, there is a growing interest in optically-driven approaches. In recent years, nitrogen-doped ultrananocrystalline diamond (N-UNCD) has emerged as a strong material candidate for use in electrically-driven stimulation electrodes. This work investigates the electrochemical activity of N-UNCD in response to pulsed illumination, to assess its potential for use as an optically-driven stimulation electrode. Whilst N-UNCD in the as-grown state exhibits a weak photoresponse, the oxygen plasma treated film exhibits two orders of magnitude enhancement in its sub-bandgap open circuit photovoltage response. The enhancement is attributed to the formation of a dense network of oxygen-terminated diamond nanocrystals at the N-UNCD surface. Electrically connected to the N-UNCD bulk via sub-surface graphitic grain boundaries, these diamond nanocrystals introduce a semiconducting barrier between the sub-surface graphitic semimetal and the electrolyte solution, leading to a photovoltage under irradiation with wavelengths of λ = 450 nm and shorter. Within the safe optical exposure limit of 2 mW mm{sup −2}, charge injection capacity of 0.01 mC cm{sup −2} is achieved using a 15 × 15 μm electrode, meeting the requirements for extracellular and intercellular stimulation. The nanoscale nature of processes presented here along with the diamond's biocompatibility and biostability open an avenue for the use of oxygen treated N-UNCD as optically driven stimulating electrodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Photoionisation study of Xe.CF{sub 4} and Kr.CF{sub 4} van-der-Waals molecules

We report on photoionization studies of Xe.CF{sub 4} and Kr.CF{sub 4} van-der-Waals complexes produced in a supersonic expansion and detected using synchrotron radiation and photoelectron-photoion coincidence techniques. The ionization potential of CF{sub 4} is larger than those of the Xe and Kr atoms and the ground state of the Rg.CF{sub 4}{sup +} ion correlates with Rg{sup +} ({sup 2}P{sub 3/2}) + CF{sub 4}. The onset of the Rg.CF{sub 4}{sup +} signals was found to be only ∼0.2 eV below the Rg ionization potential. In agreement with experiment, complementary ab initio calculations show that vertical transitions originating from the potential minimum of the ground state of Rg.CF{sub 4} terminate at a part of the potential energy surfaces of Rg.CF{sub 4}{sup +}, which are approximately 0.05 eV below the Rg{sup +} ({sup 2}P{sub 3/2}) + CF{sub 4} dissociation limit. In contrast to the neutral complexes, which are most stable in the face geometry, for the Rg.CF{sub 4}{sup +} ions, the calculations show that the minimum of the potential energy surface is in the vertex geometry. Experiments which have been performed only with Xe.CF{sub 4} revealed no Xe.CF{sub 4}{sup +} signal above the first ionization threshold of Xe, suggesting that the Rg.CF{sub 4}{sup +} ions are not stable above the first dissociation limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structural Insights into Separase Architecture and Substrate Recognition through Computational Modelling of Caspase-Like and Death Domains

Separases are large proteins that mediate sister chromatid disjunction in all eukaryotes. They belong to clan CD of cysteine peptidases and contain a well-conserved C-terminal catalytic protease domain similar to caspases and gingipains. However, unlike other well-characterized groups of clan CD peptidases, there are no high-resolution structures of separases and the details of their regulation and substrate recognition are poorly understood. Here we undertook an in-depth bioinformatical analysis of separases from different species with respect to their similarity in amino acid sequence and protein fold in comparison to caspases, MALT-1 proteins (mucosa-associated lymphoidtissue lymphoma translocation protein 1) and gingipain-R. A comparative model of the single C-terminal caspase-like domain in separase from C. elegans suggests similar binding modes of substrate peptides between these protein subfamilies, and enables differences in substrate specificity of separase proteins to be rationalised. We also modelled a newly identified putative death domain, located N-terminal to the caspase-like domain. The surface features of this domain identify potential sites of protein-protein interactions. Notably, we identified a novel conserved region with the consensus sequence WWxxRxxLD predicted to be exposed on the surface of the death domain, which we termed the WR motif. We envisage that findings from our study will guide structural and functional studies of this important protein family.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Wound Field and Hybrid Synchronous Machines for EV Traction with Brushless Capacitive Rotor Field Excitation (Final Report)

This project focused on the development of wound field synchronous machines (WFSMs) and hybrid excitation synchronous machines (HESMs) with brushless capacitive power transfer for the field excitation. The target application for the machines developed is the main traction motor in electric vehicles. The magnetization in these types of machines is provided by a field winding on the rotor which is excited with DC current. The magnetization level in the machine can be varied by changing the magnitude of the field current. The variable magnetization or field is one of the key features of WFSMs. WFSMs are commonly used as generators however they have several attractive features for automotive traction applications. 1) No use of permanent magnet: Rare earth permanent magnets are primarily mined and processed in China. They have been subject to large price and supply variations and their export may be restricted during times of geopolitical tension. 2) Easy field weakening: Wound field synchronous machines have complete control of their field excitation. With proper design, this type of machine can electromagnetically have an infinite constant power speed range. 3) High power factor: With proper choice of the field excitation, WFSMs may be operated with high or even unity power factor. This potentially allows for the inverter connected to the stator winding to be downsized. In comparison induction machines and interior permanent magnet synchronous machines must supply reactive power to the stator increasing the kVA rating and cost of the inverter. 4) Reduced iron losses at high speed: By reducing the field excitation, the iron loss in the stator can be reduced. This is in comparison to interior permanent magnet synchronous machines which must use stator current to buck or reduce the flux produced by the permanent magnets. Generally, WFSMs have their highest efficiency at high speed. 5) Torque output at high temperatures: The magnetization provided by the field winding only depends on the field current and not on the field winding temperature. This is in contrast to permanent magnet machines where the permanent magnet flux decreases as the magnet temperature increases. Historically a number of approaches have been developed to provide DC current to the rotating field winding in WFSM’s including brushes and slip rings, low frequency brushless exciters, and high frequency rotary transformers and rectifiers. In this project, a different approach was used: brushless capacitive power transfer. Brushless capacitive power transfer uses two sets of rotating capacitors or electrodes in which an AC electric field is established by a high frequency inverter. A displacement current can flow through the airgap in the rotating capacitors which is rectified on the rotor using a diode bridge. The potential advantage of capacitive power transfer is that there is no need for heavy iron to guide magnetic flux. The electric flux lines terminate on the charges on the rotary capacitor surfaces. This should also limit the electric field outside the rotary capacitor airgaps. The main challenge with capacitive power transfer is that the capacitance and surface area of the rotating capacitors is small. Because capacitive power transfer systems are essentially a dual of a magnetic system, an Ampere per Hertz relationship is characteristic versus a Volts per Hertz relationship. A very high frequency power inverter must be used to provide sufficient excitation to the field winding. The concept of using capacitive power transfer to excite a high performance WFSM was initially developed in a previous U.S.A. Dept. of Energy project, DE-EE0006829. This project focused on increasing the power density of the WFSMs and reducing the cost and manufacturing complexity of the capacitive power transfer system. This project has demonstrated that WFSMs with brushless capacitive field power transfer can provide a high-power density and low-cost automotive powertrain technology.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2015

Rational engineering of Geobacter sulfurreducens electron transfer components: A foundation for building improved Geobacter -based bioelectrochemical technologies

Multiheme cytochromes have been implicated in Geobacter sulfurreducens extracellular electron transfer (EET). These proteins are potential targets to improve EET and enhance bioremediation and electrical current production by G. sulfurreducens . However, the functional characterization of multiheme cytochromes is particularly complex due to the co-existence of several microstates in solution, connecting the fully reduced and fully oxidized states. Throughout the last decade, new strategies have been developed to characterize multiheme redox proteins functionally and structurally. These strategies were used to reveal the functional mechanism of G. sulfurreducens multiheme cytochromes and also to identify key residues in these proteins for EET. In previous studies, we set the foundations for enhancement of the EET abilities of G. sulfurreducens by characterizing a family of five triheme cytochromes (PpcA-E). These periplasmic cytochromes are implicated in electron transfer between the oxidative reactions of metabolism in the cytoplasm and the reduction of extracellular terminal electron acceptors at the cell's outer surface. The results obtained suggested that PpcA can couple e - /H + transfer, a property that might contribute to the proton electrochemical gradient across the cytoplasmic membrane for metabolic energy production. The structural and functional properties of PpcA were characterized in detail and used for rational design of a family of 23 single site PpcA mutants. In this review, we summarize the functional characterization of the native and mutant proteins. Mutants that retain the mechanistic features of PpcA and adopt preferential e - /H + transfer pathways at lower reduction potential values compared to the wild-type protein were selected for in vivo studies as the best candidates to increase the electron transfer rate of G. sulfurreducens . For the first time G. sulfurreducens strains have been manipulated by the introduction of mutant forms of essential proteins with the aim to develop and improve bioelectrochemical technologies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An Exceptionally Powerful, Radiatively Driven Ultrafast Outflow in the Rapidly Accreting AGN RE J1034+396

We report the analysis of ∼1 Ms of XMM-Newton observations of the rapidly accreting active galactic nucleus RE J1034+396. The 0.3–9 keV EPIC-pn spectra are well described by a model consisting of steep continuum emission from the corona accompanied by relativistically blurred reflection from a highly ionized accretion disk. The source is known to exhibit strong excess soft X-ray emission, which we show is well represented by thermal disk photons Comptonized by a warm plasma spanning the inner accretion flow. Additionally, the EPIC-pn data provide compelling evidence (ΔC ∼ 60 for four additional parameters) for the presence of an ultrafast outflow (UFO) with a line-of-sight velocity v/c = 0.307$^{+0.001}_{-0.005}$, and an emission signature consistent with reflection of the corona from modestly ionized, outflowing gas. The simultaneous 0.5–2.5 keV RGS spectra show clear absorption lines. Modelling of these data confirms the presence of the UFO and constrains its equivalent hydrogen column density, log N H /(atom cm −2 ) = 21.7$^{+0.1}_{-0.2}$. The RGS data also reveal at least two warm absorber components with a modest outflow velocity (1680$^{+40}_{-50}$ km s -1 ). The measured properties and time evolution of the UFO in RE J1034+396 suggest that it is formed from collisionally ionized plasma, launched from the disk surface and accelerated by radiation pressure. The high terminal velocity and substantial absorbing column density imply that the outflow carries sufficient momentum and energy to transform its environment, being capable of driving out essentially all dust and gas it interacts with along the line of sight, even if the AGN were initially surrounded by a Compton-thick absorber.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Rationale for a Mars Pathfinder mission to Chryse Planitia and the Viking 1 lander

Presently the landing site for Mars Pathfinder will be constrained to latitudes between 0 deg and 30 deg N to facilitate communication with earth and to allow the lander and rover solar arrays to generate the maximum possible power. The reference elevation of the site must also be below 0 km so that the descent parachute, a Viking derivative, has sufficient time to open and slow the lander to the correct terminal velocity. Although Mars has as much land surface area as the continental crust of the earth, such engineering constraints immediately limit the number of possible landing sites to only three broad areas: Amazonis, Chryse, and Isidis Planitia. Of these, both Chryse and Isidis Planitia stand out as the sites offering the most information to address several broad scientific topics.

Craddock, Robert A.↗
NASA NTRS2006

MSG SEVIRI Applications for Weather and Climate: Cloud Properties and Calibrations

SEVIRI data are cross-calibrated against the corresponding Aqua and Terra MODIS channels. Compared to Terra MODIS, no significant trends are evident in the 0.65, 0.86, and 1.6 micron channel gains between May 2004 and May 2006, indicating excellent stability in the solar-channel sensors. On average, the corresponding Terra reflectances are 12, 14, and 1% greater than the their SEVIRI counterparts. The Terra 3.8- micron channel brightness temperatures T are 7 and 4 K greater than their SEVIRI counterparts during day and night, respectively. The average differences between T for MODIS and SEVIRI 8.6, 10.8, 12.0, and 13.3- micron channels are between 0.5 and 2 K. The cloud properties are being derived hourly over Europe and, in initial comparisons, agree well with surface observations. Errors caused by residual calibration uncertainties, terminator conditions, and inaccurate temperature and humidity profiles are still problematic. Future versions will address those errors and the effects of multilayered clouds.

Minnis, Patrick↗
NASA NTRSDate not supplied

Cross-Calibration of GNC and OLA LIDAR Systems Onboard OSIRIS-REx

The Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer (OSIRIS-REx) mission carried two distinct light detection and ranging (LIDAR) systems: A scanning LIDAR called OSIRIS-REx Laser Altimeter (OLA) as part of the science payload, and a flash LIDAR system has part of the Guidance, Navigation, & Control (GNC) subsystem to serve as a navigation sensor during TAG. This presents a unique opportunity to compare the performance of the two LIDAR systems in close proximity to a small asteroid body. During the Orbital B mission phase, between June to August 2019, the OSIRIS-REx spacecraft orbited Bennu in a near-circular terminator orbit during which the altitude above the surface varied between 645 m to 740 m. Over five-week period observations were recorded with the OLA instrument that were subsequently used to construct a global digital terrain map (DTM) with a resolution of 5 cm and accuracy of ±20 cm. This model provides an excellent reference for assessing the performance of the GNC LIDAR system. Two different GNC LIDAR checkout activities were also conducted during the Orbital B phase: A limb-crossing check-out featured a series of slews to collect GNC LIDAR data across varying ranges and phase angles and operate the automatic gain control modes of the device; An OLA-GNC LIDAR cross calibration was designed to collect data from both the OLA and GNC LIDAR devices with overlapping footprints while the spacecraft was pointed nadir. This paper compares the on-orbit performance observed during the cross-calibration activity. The OLA-based global DTM and point clouds are used to evaluate the GNC LIDAR not available during previous analysis. The GNC LIDAR measurements were found to be well within accuracy and precision specified for the instrument, but much noisier than the measurements from OLA within this operating regime.

Jason M Leonard↗
NASA NTRS2023

Intensified Warming and Aridity Accelerate Terminal Lake Desiccation in the Great Basin of the Western United States

Terminal lakes in the Great Basin (GB) of the western US host critical wildlife habitat and food for migrating birds and can be associated with serious human health and economic consequences when they desiccate. Water levels have declined dramatically in the last 100+ years due to diversion of inflows, drought and climate change. Satellite-derived environmental science data records (ESDRs) from the MODerate-resolution Imaging Spectroradiometer (MODIS) (snow cover, evapotranspiration (ET) and land surface temperature (LST)), enable a unique approach to evaluate the effects of aridification on terminal lakes and to study their individual vulnerabilities. Surface and air temperatures in the GB are rising dramatically, with a sharp rise in the rate of increase observed beginning around 2011, while the number of days of snow cover is declining especially in the western mountainous part of the GB as exemplified in Mono Basin, California. Rising temperatures coincide with fewer days of snow cover, a decrease of inflow to the lakes and greater evaporation of water from the lakes. MODIS ESDRs show strong and statistically significant increasing surface temperature (LST) in the GB, a reduction in the number of days of snow cover, and mixed results in ET. ET declined slightly in the more arid parts of the GB due to greater moisture restrictions to evaporation from extended drought, while ET increased in the more-vegetated, wetter, mountainous northeastern parts as temperatures have risen. Severe and costly ecological, human health and economic consequences are expected if the lakes continue to decline as predicted.

land surface temperature↗
NASA NTRS1976

The Evolution of the Viking Landing Gear

The primary function of the landing gear is to dissipate touchdown energy in a controlled fashion that minimizes the landing shock for onboard components while maximizing ground clearance and the probability of landing stability over the range of possible surface and touchdown parameter variations. Many other mission requirements and constraints were translated into the evolving Viking landing gear design as they arose. Hence, design considerations included such factors as prelaunch heat sterilization and noncontamination of the Martian landing site, gear stowage and deployment, terminal descent engine shutdown initiation, structural load attenuation, hard/soft landing surface capability, reliability, weight, and post-landed stability.

Pohlen, J. C.↗
DOE OSTI2019

Bulk single crystal growth and sample surface preparation of catalytic NaAu 2

Here in we have grown bulk single crystals of NaAu 2 for the first time to enable surface studies on the nature of the (111) bulk surface. This intermetallic compound exhibits surprisingly high catalytic activity for CO oxidation, a benchmark reaction. Theory predicts NaAu 2 to be the most thermodynamically stable composition in the Na-Au binary phase diagram and NaAu 2 has been seen to preferentially form in experiments containing Na and Au which supports this prediction. The (111) surface was also predicted to be the most stable and is nearly bulk-terminated making single crystal samples prepared with this crystallographic orientation a fitting choice. As a result, the crystal quality and surface composition of the metallographically prepared surface was determined by x-ray diffraction methods in addition to optical and electron microscopy.

(111) catalytic surface↗
NASA NTRS2004

Marbles for the Imagination

The end-to-end test would verify the complex sequence of events from lander separation to landing. Due to the large distances involved and the significant delay time in sending a command and receiving verification, the lander needed to operate autonomously after it separated from the orbiter. It had to sense conditions, make decisions, and act accordingly. We were flying into a relatively unknown set of conditions-a Martian atmosphere of unknown pressure, density, and consistency to land on a surface of unknown altitude, and one which had an unknown bearing strength. In order to touch down safely on Mars the lander had to orient itself for descent and entry, modulate itself to maintain proper lift, pop a parachute, jettison its aeroshell, deploy landing legs and radar, ignite a terminal descent engine, and fly a given trajectory to the surface. Once on the surface, it would determine its orientation, raise the high-gain antenna, perform a sweep to locate Earth, and begin transmitting information. It was this complicated, autonomous sequence that the end-to-end test was to simulate.

Shue, Jack↗
DOE OSTI2019

Experimental and theoretical investigations on the adherent behaviors of high viscosity liquid: The effect of surface topography

Wetting test and classical molecular dynamics (MD) simulations were employed to investigate the adherent behaviors of hydroxyl-terminated polybutadiene (HTPB), a typical high viscosity liquid widely used as a binder in rocket motor propellants, onto the copper (Cu) surfaces with different topographies. Experimental data show that the microstructures protruding above the substrate surfaces can be ‘sensed’ by the HTPB droplet, which has been indicated by the smaller contact angles and higher interface tension for this specific liquid on the rough surfaces (featured with sinusoidal structures or square pillars) than that on the smooth surface. Simulation results reveal the atomic details of spreading process of HTPB chains, with diverse diffusion propensities presented on different surfaces. The HTPB droplet spreads widely on the smooth surface, exhibiting a roughly isotropic trend. On the contrary, the state of this high viscosity liquid on the sinusoidal-structured surface is featured by wide contact diffusion along the run of groove, but relatively restricted extension in the direction perpendicular to the groove, as a result of the barriers exerted by the nearest neighbouring peaks. The existence of nanoscale pillars increases the exterior surface area of Cu substrate, therefore the HTPB chains can penetrate deep to envelop the peripheries of the pillars, forming abundant direct contacts with Cu surface and producing a highest HTPB–Cu interaction energy, which well accords with the experimental results about the adherent strength of HTPB.

Wu, Chunya↗
DOE OSTI2016

First-principles study of graphene under c-HfO{sub 2}(111) layers: Electronic structures and transport properties

We investigated the electronic properties, stability, and transport of graphene under c-HfO{sub 2}(111) layers by performing first-principles calculations with special attention to the chemical bonding between graphene and HfO{sub 2} surfaces. When the interface of HfO{sub 2}/graphene is terminated by an O layer, the linear dispersion of graphene is preserved and the degradation of transport is suppressed. For other interface structures, HfO{sub 2} is tightly adsorbed on graphene and the transport is strictly limited. In terms of the stability of the interface structures, an O-terminated interface is preferable, which is achieved under an O-deficient condition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Interaction energy and isosteric heat of adsorption between hydrogen and magnesium diboride

Hydrogen storage materials form a crucial research topic for future energy utilization employing hydrogen and among those of interest magnesium diboride (MgB 2 ) has shown its prevalence. In this study, a first-principles analytical adsorption model of one hydrogen molecule in the vicinity of various magnesium diboride crystal surfaces was developed in order to obtain surface thermodynamic properties as a function of molecular and lattice properties. Henry's law constant (K H ) and isosteric heat of adsorption (ΔH ads ) indicators of the affinity between a gaseous molecule and a solid surface are thus calculated. The results in this paper not only address questions pertaining to the first stage of hydrogen storage processes but also advance the understanding of physisorption thermodynamics of a neutral molecule (H 2 ) coming in contact with a layered metallic-like surface (MgB 2 ). Although the model is built from a framework of classical calculations, quantum effects are incorporated as the fractional charge of the ions on the free surfaces, which is essential for the calculation of analytic thermodynamic values that approximate calculations from other methods. To benchmark our theoretical models, periodic density functional calculations were performed to determine the interactions between H 2 and different MgB 2 surfaces from first-principles. By considering both the top and sublayers of MgB 2 in calculating interaction energy, we have analytically and computationally calculated the interaction energies of H 2 molecules and MgB 2 's terminated planes, and witnessed the strong dependence of interaction energies on surface charges. We have also observed a dipole flipping phenomenon which explains the discontinuity seen in the interaction energy graph of Mg(0001). Both analytical and computational results showed heat of adsorption at zero coverage varying at a very low range (<7 kJ mol -1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Role of corner interfacial area in uniqueness of capillary pressure-satuation - interfacial area relation under transient conditions

Capillary pressure ( P c ) and phase saturation ( S w ) in two-phase flow are well known to be hysteretically related. Thermodynamically-derived multiphase flow theories conjecture that this hysteresis will be lifted if specific interfacial area ( a nw ) is included as a new state variable to create a unique P c -S-a nw surface. Specific interfacial area is defined as the total interfacial area per volume of a porous medium. Several studies have confirmed the existence of a unique P c -S w -a nw surface under equilibrium conditions for a given porous medium. However, there is only one experimental work in the literature, where the unique- ness of this surface under transient conditions was questioned. However, in the data analysis only the terminal menisci were considered to calculate the specific interfacial area. In this paper, we investigate the uniqueness of P c -S-a nw surfaces with and without the inclusion of corner fluid-fluid interfacial area, under different dynamic conditions, in two different micro-models bearing two different (granular vs. triangulated) pore morphologies. We establish a systematic metric to analyze hysteresis under different hydrodynamic conditions.

Godinez-Brizuela, Omar E.↗
NASA NTRS1973

Vacuum probe surface sampler

A vacuum probe surface sampler is described for rapidly sampling relatively large surface areas which possess relatively light loading densities of micro-organism, drug particles or the like. A vacuum head with a hollow handle connected to a suitable vacuum source is frictionally attached to a cone assembly terminating in a flared tip adapted to be passed over the surface to be sampled. A fine mesh screen carried by the vacuum head provides support for a membrane filter which collects the microorganisms or other particles. The head assembly is easily removed from the cone assembly without contacting the cone assembly with human hands.

Zahlava, B. A.↗