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DOE OSTI2022

Structure–Transport Properties Governing the Interplay in Humidity-Dependent Mixed Ionic and Electronic Conduction of Conjugated Polyelectrolytes

Polymeric mixed ionic-electronic conductors (MIECs) are of broad interest in the field of energy storage and conversion, opto-electronics, and bioelectronics. A class of polymeric MIECs are conjugated polyelectrolytes (CPEs), which possess a p-conjugated backbone imparting electronic transport characteristics along with side chains comprised of a pendant ionic group to allow for ionic transport. Here, our study focuses on the humidity-dependent structure-transport properties of poly[3-(potassium-n-alkanoate) thiophene-2,5-diyl] (P3KnT) CPEs with varied side-chain lengths of n = 4, 5, 6, and 7. UV-Vis spectroscopy along with electronic paramagnetic resonance (EPR) spectroscopy reveal the infiltration of water leads to a hydrated, self-doped state that allows for electronic transport. The resulting humidity-dependent ionic conductivity (σ i ) of the thin films shows a monotonic increase with relative humidity (RH) while electronic conductivity (σ e ) follows a nonmonotonic profile. The values of σ e continue to rise with increasing RH reaching a local maximum after which σ e begins to decrease. P3KnTs with higher n values demonstrate greater resiliency to increasing RH before suffering decrease in σ e . This drop in σ e is attributed to two factors. First, disruption of the locally-ordered π-stacked domains observed through in situ humidity-dependent grazing incidence wide angle X-ray scattering (GIWAXS) experiments can account for some of the decrease in σ e . A second and more dominant factor is attributed to the swelling of the amorphous domains where electronic transport pathways connecting ordered domains are impeded. P3K7T is most resilient to swelling (based on ellipsometry and water uptake measurements) where sufficient hydration allows for high σ i (1.0 × 10 -1 S/cm at 95% RH) while not substantially disrupting σ e (1.7 × 10 -2 S/cm at 85% RH and 8.0 × 10 -3 S/cm at 95% RH). Overall, our study highlights the complexity of balancing electronic and ionic transport in hydrated CPEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Threefold reduction of modeled uncertainty in direct radiative effects over biomass burning regions by constraining absorbing aerosols

Absorbing aerosols emitted from biomass burning (BB) greatly affect the radiation balance, cloudiness, and circulation over tropical regions. Assessments of these impacts rely heavily on the modeled aerosol absorption from poorly constrained global models and thus exhibit large uncertainties. By combining the AeroCom model ensemble with satellite and in situ observations, we provide constraints on the aerosol absorption optical depth (AAOD) over the Amazon and Africa. Our approach enables identification of error contributions from emission, lifetime, and MAC (mass absorption coefficient) per model, with MAC and emission dominating the AAOD errors over Amazon and Africa, respectively. In addition to primary emissions, our analysis suggests substantial formation of secondary organic aerosols over the Amazon but not over Africa. Furthermore, we find that differences in direct aerosol radiative effects between models decrease by threefold over the BB source and outflow regions after correcting the identified errors. This highlights the potential to greatly reduce the uncertainty in the most uncertain radiative forcing agent.

09 BIOMASS FUELS↗

NASA NTRS2005

Effects of Bedrock Landsliding on Cosmogenically Determined Erosion Rates

The successful quantification of long-term erosion rates underpins our understanding of landscape. formation, the topographic evolution of mountain ranges, and the mass balance within active orogens. The measurement of in situ-produced cosmogenic radionuclides (CRNs) in fluvial and alluvial sediments is perhaps the method with the greatest ability to provide such long-term erosion rates. In active orogens, however, deep-seated bedrock landsliding is an important erosional process, the effect of which on CRN-derived erosion rates is largely unquantified. We present a numerical simulation of cosmogenic nuclide production and distribution in landslide-dominated catchments to address the effect of bedrock landsliding on cosmogenic erosion rates in actively eroding landscapes. Results of the simulation indicate that the temporal stability of erosion rates determined from CRN concentrations in sediment decreases with increased ratios of landsliding to sediment detachment rates within a given catchment area, and that larger catchment areas must be sampled with increased frequency of landsliding in order to accurately evaluate long-term erosion rates. In addition, results of this simulation suggest that sediment sampling for CRNs is the appropriate method for determining long-term erosion rates in regions dominated by mass-wasting processes, while bedrock surface sampling for CRNs is generally an ineffective means of determining long-term erosion rates. Response times of CRN concentrations to changes in erosion rate indicate that climatically driven cycles of erosion may be detected relatively quickly after such changes occur, but that complete equilibration of CRN concentrations to new erosional conditions may take tens of thousands of years. Simulation results of CRN erosion rates are compared with a new, rich dataset of CRN concentrations from the Nepalese Himalaya, supporting conclusions drawn from the simulation.

Niemi, Nathan↗

NASA NTRS2018

Observations of Mercury's Exosphere: Composition and Structure: Chapter - 14

Mercury is surrounded by a tenuous exosphere in which particles travel on ballistic trajectories under the influence of a combination of gravity and solar radiation pressure. The densities are so small that the surface forms the exobase and particles in the exosphere are more likely to collide with it rather than with each other. For a planet with a more substantial collision-dominated atmosphere, a population of particles that enters from below the exobase supplies the exosphere. In contrast Mercury's exosphere is supplied both by incoming sources including the solar wind (hydrogen and helium), micrometeoroids (dust), meteoroids and cornets, and by particles released from the surface through a variety of processes that include sputtering by solar wind ions, desorption by solar photons and electrons, impacts by micrometeoroids, and thermal desorption of surface materials. These source processes are balanced by loss processes, which include impact with and sticking to the surface, Jeans (or thermal) escape, ionization followed by transport along magnetic field lines, and acceleration by solar radiation pressure to escape velocity. Ground-based attempts to detect an atmosphere around Mercury before Mariner 10 first visited the planet in 1974 were unsuccessful and led only to increasingly tight upper limits, culminating in a limiting value for surface atmospheric pressure of 0.015 Pascal (Pa) determined by Fink et al. (1974).

Solar↗

NASA NTRS1982

The structure, energy balance, and winds of cool stars

The phenomena associated with magnetic fields in the Sun are summarized and it is shown that similar phenomena occur in cool stars. High dispersion spectra are providing unique information concerning densities, atmospheric extension, and emission line widths. A recent unanticipated discovery is that the transition lines are redshifted (an antiwind) in beta Dra (G2 Ib) and perhaps other stars. This is interpreted as indicating downflows in closed magnetic flux tubes as are seen in the solar flux tubes above sunspots. The G and K giants and supergiants are classified as active stars, quiet stars, or hybrid stars depending on whether their atmospheres are dominated by closed magnetic flux tubes, open field geometries, or a predominately open geometry with a few closed flux tubes embedded.

Linsky, J. L.↗

DOE OSTI2022

A unified finite strain gradient-enhanced micropolar continuum approach for modeling quasi-brittle failure of cohesive-frictional materials

Here, in this work, a novel framework for modeling quasi-brittle crack propagation and shear band dominated failure of cohesive-frictional materials like concrete, mortar, rock, tough ceramics, energetic materials, but also granular materials like sands or powders in terms of a unified continuum approach is proposed. It is based on a combination of the gradient-enhanced continuum with gradients of internal variables for representing quasi-brittle cracking, and the micropolar continuum, accounting for the deformation of the microstructure. For developing the gradient-enhanced micropolar framework, the set of balance equations and the kinematic relations are derived, and the constitutive relations are established in a general manner. The framework is formulated in a geometrically exact setting, based on the thermodynamically sound theory of hyperelasto-plasticity, and the numerical implementation by means of the finite element method is discussed. For assessing the approach, realizations of this new approach in terms of constitutive models for particular materials are developed. They are applied to numerical benchmark examples, investigating various loading conditions, and the obtained results are validated by means of a comparison with experiments from the literature.

36 MATERIALS SCIENCE↗

NASA NTRS1996

Redox Disproportionation of Glucose as a Major Biosynthetic Energy Source

Previous studies have concluded that very little if any energy is required for the microbial biosynthesis of amino acids and lipids from glucose -- processes that yield almost as much ATP (adenosine triphosphate) as they consume. However, these studies did not establish the strength nor the nature of the energy source driving these biological transformations. To identify and estimate the strength of the energy source behind these processes, we calculated the free energy change due to the redox disproportionation of substrate carbon of (a) 26 redox-balanced fermentation reactions, and (b) the biosynthesis of amino acids, lipids, and nucleotides of E. coli from glucose. A plot of the negative free energy of these reactions per mmole of carbon as a function of the number of disproportionative electron transfers per mmol of carbon showed that the energy yields of these fermentations and biosyntheses were directly proportional to the degree of redox disproportionation of carbon. Since this linear relationship showed that redox disproportionation was the dominant energy source of these reactions, we were able to establish that amino acid and lipid biosynthesis obtained most of their energy from redox disproportionation (greater than 94%). In contrast nucleotide biosynthesis was not driven by redox disproportionation of carbon, and consequently depended completely on ATP for energy. This crucial and previously unrecognized role of sugars as an energy source of biosynthesis suggests that sugars were involved at the earliest stage in the origin of anabolic metabolism.

Weber, Arthur L.↗

NASA NTRS2001

Models for X-Ray Emission from Isolated Pulsars

A model is proposed for the observed combination of power-law and thermal X-rays from rotationally powered pulsars. For gamma-ray pulsars with accelerators very many stellar radii above the neutron star surface, 100 MeV curvature gamma-rays from e(-) or e(+) flowing starward out of such accelerators are converted to e1 pairs on closed field lines all around the star. These pairs strongly affect X-ray emission from near the star in two ways. (1) The pairs are a source of synchrotron emission immediately following their creation in regions where B approx. 10(exp 10) G. This emission, in the photon energy range 0.1 keV less than E(sub X) less than 5 MeV, has a power-law spectrum with energy index 0.5 and X-ray luminosity that depends on the back-flow current, and is typically approx. 10(exp 33) ergs/ s. (2) The pairs ultimately a cyclotron resonance "blanket" surrounding the star except for two holes along the open field line bundles which pass through it. In such a blanket the gravitational pull on e(+,-) pairs toward the star is balanced by the hugely amplified push of outflowing surface emitted X-rays wherever cyclotron resonance occurs. Because of it the neutron star is surrounded by a leaky "hohlraum" of hot blackbody radiation with two small holes, which prevents direct X-ray observation of a heated polar cap of a gamma-ray pulsar. Weakly spin modulated radiation from the blanket together with more strongly spin-modulated radiation from the holes through it would then dominate observed low energy (0.1-10 keV) emission. For non-y-ray pulsars, in which no such accelerators with their accompanying extreme relativistic back-flow toward the star are expected, optically thick e1 resonance blankets should not form (except in special cases very close to the open field line bundle). From such pulsars blackbody radiation from both the warm stellar surface and the heated polar caps should be directly observable. In these pulsars, details of the surface magnetic field evolution, especially of polar cap areas, become relevant to observations. The models are compared to X-ray data from Geminga, PSR 1055-52, PSR 0656+14, PSR 1929+10, and PSR 0950+08.

Wang, F. Y.-H.↗

DOE OSTI2024

An MPMD approach coupling electromagnetic continuum mechanics approximations in ALEGRA

In this work, two complementary approximations for describing aspects of continuum electromagnetics in moving media are discussed: electroquasistatic and magnetoquasistatic. Each has been implemented in the finite element shock code ALEGRA for modeling dynamic electromechanical phenomena on typical engineering time scales, with fully integrated circuit coupling. The approximations can be obtained by consistent asymptotic balancing of Maxwell’s equations relative to timescales associated with magnetic diffusion, charge relaxation, and electromagnetic wave propagation. In ALEGRA, the electroquasistatic approximation is used for ferroelectric (FE) modeling, while the magnetoquasistatic approximation is used for magnetohydrodynamic (MHD) modeling. In this paper we introduce for the first time a detailed derivation of a useful quasi-steady “low-R m ” variant of the MHD approximation applicable for cases, such as with detonators, where the thermodynamic pressure arising from Joule heating dominates over magnetic forces. An additional purpose of this paper is to present a coupling mode using Multiple Program-Multiple Data (MPMD) message passing communication that allows the user to run 3D FE problems together with 2D and/or 3D MHD problems with the respective simulation domains coupled through a common circuit equation. The MPMD coupling capability is used here to model the dynamic coupling of a notional ferroelectric generator with an RP-87 exploding bridgewire detonator. The simulated bridgewire heats up and bursts under current generated by simulated depoling of the ferroelectric generator, as a demonstration of the MPMD capability.

42 ENGINEERING↗

DOE OSTI2021

Non-monotonic magnetic anisotropy behavior as a function of adsorbate coverage in Fe ultrathin films near the spin reorientation transition

Carbon monoxide (CO) adsorption on ultrathin fcc Fe films is known to result in the rotation of magnetization from out-of-plane to in-plane. By imaging in real time the magnetic domain structure of perpendicularly magnetized Fe/(2 ML)Ni/Cu(100) films during exposure to CO, we demonstrate that the effect of adsorption on the magnetic properties occurs in two distinct stages. Initially, when CO bonds preferentially on bridge sites, perpendicular magnetic anisotropy is enhanced. Later, when on-top adsorption dominates, magnetization rotates towards in-plane in agreement with previous studies. This CO-induced spin reorientation transition (SRT) is not reversible by annealing, as CO desorption would require high temperature cycles which yield permanent structural changes in the metal films. This study demonstrates the existence of a novel non-monotonic behavior of the magnetic anisotropy as a function of adsorbate coverage. The influence of CO on ultrathin film magnetism in real time near critical points, where the anisotropy balance is extremely sensitive to small variations, reveals the previously elusive complexity of this adsorbate induced SRT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Emission of nitric oxide (NO) from tropical forest soils and exchange of NO between the forest canopy and atmospheric boundary layers

Emissions of NO from soils in the Amazon rain forest were measured at 66 locations using an enclosure technique, and continuous vertical profiles of NO and O3 were measured between the ground and 41-m altitude. Fluxes of NO averaged 8.9 (+ or - 1.5) x 10 to the 9th molecules/sq cm per sec from the dominant (yellow clay) soils of the region, with larger fluxes observed from adjacent white sand soils. Fluxes from clay soils were lower by more than a factor of 5 than fluxes observed during the dry season at a nearby site. Low soil emission rates were reflected in lower concentrations of NO at the top of the forest canopy in the wet season, only 30-50 parts per trillion by volume during the daytime. The measured fluxes are consistent with chemical mass balances for NO within the forest canopy, calculated from the NO and O3 profiles taken at night, and with observations of NO between 150 and 5000 m altitude. Measurements of NO emission rates from soil plots fertilized using NaNO3, NH4Cl, or sucrose indicated that a reductive pathway (denitrification) may have been primarily responsible for production of the NO released by both clay and sand soils.

Bakwin, Peter S.↗

NASA NTRS1991

The Space Station decision - Politics, bureaucracy, and the making of public policy

The lack of consensus that dominates the conception of major scientific and technological programs is demonstrated via a comparison of the decisions to build the Space Station and the Space Transportation System, and the decision to go to the moon. It is argued that the way political reality conditions administrative behavior in NASA is shown by the decision to promote international cooperation prior to program approval. It is concluded that so long as NASA remains a government agency, its officials will struggle to learn how to balance professional accountability with political reality.

Mccurdy, Howard E.↗

DOE OSTI2023

Electronic noise of a single skyrmion

To enable the practical use of skyrmion-based devices, it is essential to achieve a balance between energy efficiency and thermal stability while also ensuring reliable electrical detection against noise. Understanding how a skyrmion interacts with material disorder and external perturbations is thus essential. Here, we investigate the electronic noise of a single skyrmion under the influence of thermal fluctuations and spin currents in a magnetic thin film. We detect the thermally induced noise with a 1/ƒ $\gamma$ signature in the strong pinning regime but a random telegraph noise in the intermediate pinning regime. Both the thermally dominated and current-induced telegraphlike signals are detected in the weak pinning regime. Our results provide a comprehensive electronic noise picture of a single skyrmion, demonstrating the potential of noise fluctuation as a valuable tool for characterizing the pinning condition of a skyrmion. In conclusion, these insights could also aid in the development of low-noise and reliable skyrmion-based devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2006

Laboratory Measurements of Optical and Physical Properties of Individual Lunar Dust Grains

The lunar surface is covered with a thick layer of sub-micron/micron size dust grains formed by meteoritic impact over billions of years. The fine dust grains are levitated and transported on the lunar surface, and transient dust clouds over the lunar horizon were observed by experiments during the Apollo 17 mission. Theoretical models suggest that the dust grains on the lunar surface are charged by the solar UV radiation as well as the solar wind. Even without any physical activity, the dust grains are levitated by electrostatic fields and transported away from the surface in the near vacuum environment of the Moon. The current dust charging and levitation models, however, do not fully explain the observed phenomena. Since the abundance of dust on the Moon's surface with its observed adhesive characteristics has the potential of severe impact on human habitat and operations and lifetime of a variety of equipment, it is necessary to investigate the charging properties and the lunar dust phenomena in order to develop appropriate mitigating strategies. Photoelectric emission induced by the solar UV radiation with photon energies higher than the work function of the grain materials is recognized to be the dominant process for charging of the lunar dust, and requires measurements of the photoelectric yields to determine the charging and equilibrium potentials of individual dust grains. In this paper, we present the first laboratory measurements of the photoelectric yields of individual sub-micron/micron size dust grains selected from sample returns of Apollo 17, and Luna 24 missions, as well as similar size dust grains from the JSC-1 simulants. The experimental results were obtained on a laboratory facility based on an electrodynamic balance that permits a variety of experiments to be conducted on individual sub-micron/micron size dust grains in simulated space environments. The photoelectric emission measurements indicate grain size dependence with the yield increasing by an order of magnitude for grains of radii sub-micron size to several micron radii, at which it reaches asymptotic values. The yield for large size grains is found to be more than an order of magnitude higher than the bulk measurements on lunar fines reported in the literature.

Abbas, M. M.↗

NASA NTRS2007

Lunar Dust Charging by Photoelectric Emissions

The lunar surface is covered with a thick layer of sub-micron/micron size dust grains formed by meteoritic impact over billions of years. The fine dust grains are levitated and transported on the lunar surface, as indicated by the transient dust clouds observed over the lunar horizon during the Apollo 17 mission. Theoretical models suggest that the dust grains on the lunar surface are charged by the solar UV radiation as well as the solar wind. Even without any physical activity, the dust grains are levitated by electrostatic fields and transported away from the surface in the near vacuum environment of the Moon. The current dust charging and levitation models, however, do not fully explain the observed phenomena. Since the abundance of dust on the Moon s surface with its observed adhesive characteristics has the potential of severe impact on human habitat and operations and lifetime of a variety of equipment, it is necessary to investigate the charging properties and the lunar dust phenomena in order to develop appropriate mitigating strategies. Photoelectric emission induced by the solar UV radiation with photon energies higher than the work function of the grain materials is recognized to be the dominant process for charging of the lunar dust, and requires measurements of the photoelectric yields to determine the charging and equilibrium potentials of individual dust grains. In this paper, we present the first laboratory measurements of the photoelectric efficiencies and yields of individual sub-micron/micron size dust grains selected from sample returns of Apollo 17, and Luna 24 missions, as well as similar size dust grains from the JSC-1 simulants. The measurements were made on a laboratory facility based on an electrodynamic balance that permits a variety of experiments to be conducted on individual sub-micron/micron size dust grains in simulated space environments. The photoelectric emission measurements indicate grain size dependence with the yield increasing by an order of magnitude for grains of sub-micron to several micron size radii, at which it reaches asymptotic values. The yield for large size grains is found to be more than an order of magnitude higher than the bulk measurements on lunar fines reported in the literature.

Abbas, M. M.↗

NASA NTRS2007

Lunar Dust Charging by Photoelectric Emissions

The lunar surface is covered with a thick layer of sub-micron/micron size dust grains formed by meteoritic impact over billions of years. The fine dust grains are levitated and transported on the lunar surface, as indicated by the transient dust clouds observed over the lunar horizon during the Apollo 17 mission. Theoretical models suggest that the dust grains on the lunar surface are charged by the solar ultraviolet (UV) radiation as well as the solar wind. Even without any physical activity, the dust grains are levitated by electrostatic fields and transported away from the surface in the near vacuum environment of the Moon. The current dust charging and levitation models, however, do not fully explain the observed phenomena. Since the abundance of dust on the Moon's surface with its observed adhesive characteristics has the potential of severe impact on human habitat and operations and lifetime of a variety of equipment, it is necessary to investigate the charging properties and the lunar dust phenomena in order to develop appropriate mitigating strategies. Photoelectric emission induced by the solar UV radiation with photon energies higher than the work function (WF) of the grain materials is recognized to be the dominant process for charging of the lunar dust, and requires measurements of the photoelectric yields to determine the charging and equilibrium potentials of individual dust grains. In this paper, we present the first laboratory measurements of the photoelectric efficiencies and yields of individual sub-micron/micron size dust grains selected from sample returns of Apollo 17 and Luna-24 missions as well as similar size dust grains from the JSC-1 simulants. The measurements were made on a laboratory facility based on an electrodynamic balance that permits a variety of experiments to be conducted on individual sub-micron/micron size dust grains in simulated space environments. The photoelectric emission measurements indicate grain size dependence with the yield increasing by an order of magnitude for grains of sub-micron to several micron size radii, at which it reaches asymptotic values. The yield for large size grains is found to be more than an order of magnitude higher than the bulk measurements on lunar fines reported in the literature.

Abbas, M. M.↗

DOE OSTI2023

Grid Forming Fast Frequency Response for PMSG-Based Wind Turbines

Electric power systems are undergoing a rapid transition from fuel-based generation using synchronous generators to renewable generation interfaced by power electronics. In this context, a key challenge is using renewable generation with limited controllability to contribute to power system stability. In this work, we investigate grid-forming control of permanent magnet synchronous generator (PMSG) wind turbines. The proposed control and curtailment strategy supports the entire spectrum of standard functions of grid-following (e.g. maximum power point tracking (MPPT) and grid-forming control (e.g., primary frequency control) without explicit mode switching. A detailed case study is used to compare the performance of the proposed control at operating points corresponding to MPPT and frequency control with standard grid-forming and grid-following controls. Further, the results demonstrate that (i) the proposed energy balancing grid forming control is self-synchronizing in MPPT mode, (ii) the (limited) energy storage and controllability of wind turbines can be adequately utilized to provide grid support, and (ii) the proposed control exhibits good performance under variable wind speeds and does not result in a significant increase of wind turbine fatigue loads.

17 WIND ENERGY↗

DOE OSTI2023

Fracture of PC and PMMA cylinders in the Taylor tests

The present paper analyzes failure observed in polymer rods collided with a steel anvil under the Taylor cylinder impact experiments. The experimental and numerical analysis demonstrates that association of the failure patterns with the loading mode depends on the rod material. Two materials are considered in the paper, specifically, polymethylmethacrylate (PMMA) and polycarbonate (PC). Damage in PMMA rods at the Taylor tests is shown to be dominated by the shear load resulting in plastic deformation. In contrast, the major mechanism of damage in PC rods is governed by omni-directional (pressure) mode of load. Analysis of the damage in sections of the rods associated with the glass transition is also addressed in the present theoretical study. Failure in these polymers follows the traditional fracture wave mechanism for brittle glass-type materials due to load in the corresponding mode. Numerical analysis employs a two-phase model with improved inter-phase thermal balance accounting for the inter-phase mass, momentum, and heat exchanges during the glass phase transition, while damage being accumulated in time. In conclusion, the simulation results demonstrate a good correlation with the experimental results.

36 MATERIALS SCIENCE↗