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At least 109 records · Page 6

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NASA NTRS1994

Computational modeling of properties

A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wise-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid II-VI semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

Franz, Judy R.↗

NASA NTRS2017

The Ice, Cloud, and Land Elevation Satellite-2 (ICESat-2): Science Requirements, Concept, and Implementation

The Ice, Cloud, and land Elevation Satellite (ICESat) mission used laser altimetry measurements to determine changes in elevations of glaciers and ice sheets, as well as sea ice thickness distribution. These measurements have provided important information on the response of the cryosphere (Earths frozen surfaces) to changes in atmosphere and ocean condition. ICESat operated from 2003-2009 and provided repeat altimetry measurements not only to the cryosphere scientific community but also to the ocean, terrestrial and atmospheric scientific communities. The conclusive assessment of significant ongoing rapid changes in the Earths ice cover, in part supported by ICESat observations, has strengthened the need for sustained, high accuracy, repeat observations similar to what was provided by the ICESat mission. Following recommendations from the National Research Council for an ICESat follow-on mission, the ICESat-2 mission is now under development for planned launch in 2018. The primary scientific aims of the ICESat-2 mission are to continue measurements of sea ice freeboard and ice sheet elevation to determine their changes at scales from outlet glaciers to the entire ice sheet, and from 10s of meters to the entire polar oceans for sea ice freeboard. ICESat carried a single beam profiling laser altimeter that produced approximately 70 m diameter footprints on the surface of the Earth at approximately 150 m along-track intervals. In contrast, ICESat-2 will operate with three pairs of beams, each pair separated by about 3 km across-track with a pair spacing of 90 m. Each of the beams will have a nominal 17 m diameter footprint with an along-track sampling interval of 0.7 m. The differences in the ICESat-2 measurement concept are a result of overcoming some limitations associated with the approach used in the ICESat mission. The beam pair configuration of ICESat-2 allows for the determination of local cross-track slope, a significant factor in measuring elevation change for the outlet glaciers surrounding the Greenland and Antarctica coasts. The multiple beam pairs also provide improved spatial coverage. The dense spatial sampling eliminates along-track measurement gaps, and the small footprint diameter is especially useful for sea surface height measurements in the often narrow leads needed for sea ice freeboard and ice thickness retrievals. The ICESat-2 instrumentation concept uses a low energy 532 nm (green) laser in conjunction with single-photon sensitive detectors to measure range. Combining ICESat-2 data with altimetry data collected since the start of the ICESat mission in 2003, such as Operation IceBridge and ESAs CryoSat-2, will yield a 15+ year record of changes in ice sheet elevation and sea ice thickness. ICESat-2 will also provide information of mountain glacier and ice cap elevations changes, land and vegetation heights, inland water elevations, sea surface heights, and cloud layering and optical thickness.

ICESat-2↗

DOE OSTI2026

Excited-state vibronic coherences and intramolecular charge transfer dynamics of the photoinactive cyanobacteriochrome NpF2164g5

We have characterized the excited-state structural dynamics that follow optical excitation of the photoinactive cyanobacteriochrome (CBCR) NpF2164g5 to determine the first events along the photoisomerization reaction coordinate of the phycocyanobilin (PCB) chromophore in red-to-green photoactive CBCRs. Within 25 fs of photoexcitation to the first excited singlet state, S1, a cross peak begins to develop below the diagonal of the broadband two-dimensional electronic spectrum (2DES) owing to the formation of a twisted conformation of the PCB chromophore with an enhanced intramolecular charge-transfer (ICT) character. Excited-state coherent wavepacket motions, including a torsion of the methine bridge between rings C and D and the carbon–hydrogen out-of-plane (HOOP) wagging vibration, are rapidly damped as the cross peak forms. This finding supports an assignment of the torsional and HOOP modes to the reaction coordinate of a coherent nonadiabatic mechanism. The ICT process is accompanied by an ultrafast Stokes shift and rapidly damped oscillations at the torsional mode’s frequency, which are sensed by measurements of the energy gap of the cross peak using its first moment with respect to the detection frequency axis of the 2DES spectrum. Furthermore, these results have the further implication that polar side chains of nearby amino acid residues in the binding site of the PCB chromophore can manipulate the barrier height for photoisomerization in red-to-green photoactive CBCRs and in phytochromes by redistributing the π-electron density along the methine bridge between the C and D rings.

Charge transfer↗

DOE OSTI2026

Synergistic CuWO 4 /NiS 2 Binary Nanostructures for Efficient Photocatalytic Hydrogen Production

A viable and ecologically safe method for producing green hydrogen is photocatalytic hydrogen (H 2 ) production. However, the development of effective semiconductor materials with improved activity and long-term stability is still a major obstacle. Here, in this work, we report the development of a broadband-gap, UV light-responsive CuWO 4 /NiS 2 nanocomposite using simple hydrothermal and wet impregnation techniques. The hybrid systems, with photocatalytic presentation, were thoroughly assessed using spectroscopic, photophysical, and microscopic characterization methods. The optimized CuWO 4 /NiS 2 nanostructure demonstrated an impressive H 2 generation rate of 28.2 mmol h –1 g –1 under light irradiation, which is roughly 2.71 and 3.28 times greater than those of pristine CuWO 4 (10.4) and NiS 2 (8.6 mmol h -1 g (cat) -1 ), respectively. The enhanced presentation is ascribed to the synergetic interface between the coupled semiconductors, which facilitates the formation of a nanostructure. This arrangement inhibits electron–hole recombination and encourages effective charge carrier parting. Additionally, compared with pristine CuWO 4 and NiS 2 , respectively, the CuWO 4 /NiS 2 composite showed a noticeably greater photocurrent density. The developed nanostructured CuWO 4 /NiS 2 displayed a 28.6% quantum efficiency at 450 nm. These outcomes validate CuWO 4 /NiS 2 ’s significant aptitude as a non-noble-metal photocatalyst for the production of sustainable hydrogen.

CuWO4/NiS2↗

DOE OSTI2022

Frequency-dependent complex viscosity obtained for a liquid two-dimensional dusty plasma experiment

Strongly coupled plasmas in a liquid phase can be characterized by a complex viscosity η(ω), which is a function of frequency. Data from a single experiment with dusty plasma were analyzed to compare η(ω) obtained by two fundamentally distinct methods. In a nonequilibrium method, a pair of counterpropagating laser beams, separated by a gap, applied a sinusoidal shear to a two-dimensional liquid, and η(ω) was determined using the constitutive relation. In an equilibrium method, there was no externally applied shear, so η(ω) could be calculated with a generalized Green-Kubo relation. The results for these two methods are compared for the real and imaginary parts of η(ω). For both parts, it is confirmed that the two methods yield results that agree qualitatively in their trends with frequency, with the real part diminishing with ω and the imaginary part increasing with ω, as expected for viscoelastic liquids. Quantitatively, the values of η(ω) obtained by the two methods differ slightly. For the experiment that we analyze, values for the real and imaginary parts of η(ω) are substantially greater than those reported in an earlier experiment, which we attribute to shear thinning effects in the earlier experiment. As a result, the experiment we analyze was designed to minimize shear thinning, unlike the earlier experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2018

Investigations of Hail Damage Swaths Using Various Satellite Remote Sensing Platforms

Severe thunderstorms that bring damaging winds and large hail can cause significant damage to agricultural crops. Severe thunderstorms can cause upwards of several hundreds of millions of dollars in damage to agricultural areas. Formal ground surveys are not conducted on these areas of damage, like they are for suspected tornado damaged areas. IF ground surveys were conducted, they would likely be time and resources consuming due to their large spatial extent. Satellite remote sensing has been frequently used in identification and analysis of these hail damage swaths. Previous analysis have looked at the simple change in damaged vegetation to looking at the damage areas in satellite imagery with varying spatial resolutions. One study has even looked at the impacts that these damage swaths can have on the land surface, associated fluxes and how they affect numerical weather prediction. Previous studies have focused on using optical remote (VIS, NIR, SWIR) sensing instruments and derived indices, such as Normalized Difference Vegetation Index (NDVI) for analysis. NDVI is used to monitor the health (greenness) of the vegetation. Optical sensors however are limited by sky conditions over the areas they are imaging and certain bands are further limited by the diurnal cycle. These limitations can lead to sometimes upwards of 7 to 10 day gaps of the surface not being imaged, especially during the height of summer convection. One way to obtain more views of the surface, regardless of the sky conditions or time of day is through the use of synthetic aperture radar (SAR). SAR sensors are active instruments that transmit in the microwave portion of the EM spectrum. The surface and its characteristics will determine the amount of energy scattered back to the sensor. The SAR sensors then measure amplitude and phase of wavelength coming back from surface.

Bell, Jordan R.↗

DOE OSTI2023

Correlation of Broad Absorption Band with Small Singlet‐Triplet Energy Gap in Organic Photovoltaics

Abstract Organic photovoltaics (OPV) are one of the most effective ways to harvest renewable solar energy, with the power conversion efficiency (PCE) of the devices soaring above 19 % when processed with halogenated solvents. The superior photocurrent of OPV over other emerging photovoltaics offers more opportunities to further improve the efficiency. Tailoring the absorption band of photoactive materials is an effective way to further enhance OPV photocurrent. However, the field has mostly been focusing on improving the near‐infrared region photo‐response, with the absorption shoulders in short‐wavelength region (SWR) usually being neglected. Herein, by developing a series of non‐fullerene acceptors (NFAs) with varied side‐group conjugations, we observe an enhanced SWR absorption band with increased side‐group conjugation length. The underpinning factors of how molecular structures and geometries improve SWR absorption are clearly elucidated through theoretical modelling and crystallography. Moreover, a clear relationship between the enhanced SWR absorption and reduced singlet‐triplet energy gap is established, both of which are favorable for the OPV performance and can be tailored by rational structure design of NFAs. Finally, the rationally designed NFA, BO‐TTBr, affords a decent PCE of 18.5 % when processed with a non‐halogenated green solvent.

Chemistry↗

DOE OSTI2023

Load-Displacement Relation and Gap Distribution Between Rough Surfaces: Partial Differential Equations Approach

We develop a theoretical model to predict the load-displacement relation and probability density function for gaps between contacting rough surfaces. We derive partial differential equations from the previous model (Joe et al., 2018), and extend them to the non-adhesive contact problem. The predictions of the present theory are compared with numerical results using the Green's function molecular dynamics algorithm, and a good agreement is obtained.

adhesion↗

DOE OSTI2021

Role of quadrupole deformation and continuum effects in the “island of inversion” nuclei 28,29,31 F

The peculiar properties of nuclei in the so-called “island of inversion” around Z = 10 and N = 20 are the focus of current nuclear physics research. Recent studies showed that 28 F has a negative-parity ground state and thus lies within the southern shore of the island of inversion, and 29 F presents a halo structure in its ground state, but it is unclear which effects, such as deformation, shell evolution due to tensor forces, or couplings to the continuum, lead to this situation. Here, we investigate the role of quadrupole deformation and continuum effects on the single-particle structure of 28,29,31 F from a relativistic mean-field approach and show how both phenomena can lead to a negative-parity ground state in 28 F and halo structures in 29,31 F. We solve the Dirac equation in the complex-momentum (Berggren) representation for a potential with quadrupole deformation at the first order obtained from relativistic mean-field calculations using the NL3 interaction and calculate the continuum level densities using the Green’s function method. We extract single-particle energies and widths from the continuum level densities to construct the Nilsson diagrams of 28,29,31 F in the continuum and analyze the evolution of both the widths and occupation probabilities of relevant Nilsson orbitals in 28 F and find that some amount of prolate deformation must be present. In addition, we calculate the density distributions for bound Nilsson orbitals near the Fermi surface in 29,31 F and reveal that, for a quadrupole deformation 0.3 ≤ β 2 ≤ 0.45 (prolate), characteristic halo tails appear at large distances. Using the relativistic mean-field approach in the complex-momentum representation with the Green’s function method, we demonstrate that in neutron-rich fluorine isotopes, while in the spherical case the pf shells are already inverted and close to the neutron emission threshold, a small amount of quadrupole deformation can dramatically reduce the gap between positive- and negative-parity states and increase the role of continuum states, ultimately leading to the negative parity in the ground state of 28 F and the halo structures in 29,31 F.

20 ≤ A ≤ 38↗

NASA NTRS2021

Moisture and Temperature Influences on Nonlinear Vegetation Trends in Serengeti National Park

While long-term vegetation greening trends have appeared across large land areas over the late 20th century, uncertainty remains in identifying and attributing finer-scale vegetation changes and trends, particularly across protected areas. Serengeti National Park (SNP) is a critical East African protected area, where seasonal vegetation cycles support vast populations of grazing herbivores and a host of ecosystem dynamics. Previous work has shown how non-climate drivers (e.g. land use) shape the SNP ecosystem, but it is still unclear to what extent changing climate conditions influence SNP vegetation, particularly at finer spatial and temporal scales. We fill this research gap by evaluating long-term (1982–2016) changes in SNP leaf area index (LAI) in relation to both temperature and moisture availability using Ensemble Empirical Mode Decomposition and Principal Component Analysis with regression techniques. We find that SNP LAI trends are nonlinear, display high sub-seasonal variation, and are influenced by lagged changes in both moisture and temperature variables and their interactions. LAI during the long rains (e.g. March) exhibits a greening-to-browning trend reversal starting in the early 2000s, partly due to antecedent precipitation declines. In contrast, LAI during the short rains (e.g. November, December) displays browning-to-greening alongside increasing moisture availability. Rising temperature trends also have important, secondary interactions with moisture variables to shape these SNP vegetation trends. Our findings show complex vegetation-climate interactions occurring at important temporal and spatial scales of the SNP, and our rigorous statistical approaches detect these complex climate-vegetation trends and interactions, while guarding against spurious vegetation signals.

Moisture↗

DOE OSTI2022

Stabilized photoemission from organic molecules in zero-dimensional hybrid Zn and Cd halides

This work explores the utilization of a photoactive organic cation for the preparation of R 2 MCl 4 (M = Zn, Cd; R = (E)-4-styrylpyridinium, C 13 H 12 N + ). Here, the zero-dimensional crystal structures of R 2 MCl 4 contain isolated tetrahedral anions [MCl 4 ] 2– separated by the organic cations R + , leading to flat bands around the optical band gap. In R 2 MCl 4 , the inorganic band gaps are sufficiently large to accommodate the organic molecular levels within, and therefore, the optical properties of R 2 MCl 4 are determined by the organic cation. Our combined optical spectroscopy and density functional theory (DFT) studies confirm the attribution of the bright green photoluminescence demonstrated by R 2 MCl 4 to the organic molecular emission. Importantly, the incorporation of the photoemissive organic cation R + into the hybrid framework in R 2 MCl 4 leads to a nearly two-fold enhancement of the light emission efficiency with the measured photoluminescence quantum yield (PLQY) values of 6.04%, 10.40% and 11.21% for RCl, R 2 ZnCl 4 and R 2 CdCl 4 , respectively. In addition, the crystal structure of the hybrid R 2 MCl 4 ensures a stabilized PL emission, preventing the occurrence of the harmful organic photodimerization, which is a notorious problem for this class of organic emitters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Retrospective Analysis of Backwater Habitat Availability Using Remote Sensing

Low-velocity channel-margin habitats serve as important nursery habitats for the endangered Colorado pikeminnow (Ptychocheilus lucius) in the middle Green River between Jensen and Ouray, Utah. These habitats, known as backwaters, are associated with emergent sandbars, and are shaped and reformed annually by peak flows. Our recent knowledge about backwater characteristics and dynamics that is summarized in the synthesis report (Grippo et al. 2015) was based on detailed annual survey data from a relatively small sample of backwaters that were collected from 2003 to 2014 and reach-wide evaluations of backwater surface area based on manual interpretation of aerial and satellite imagery. Methods that bridge the gap between the detailed surveys from a small number of backwaters and the reach-wide assessment of their surface area would enable an assessment of the availability of backwater habitats that meet the minimum depth requirements for suitable habitat for Colorado pikeminnow. In 2015 Argonne National Laboratory (Argonne) tested three regression models—linear, multiple, and partial least square (PLS) regression models—for estimating backwater depth using National Agriculture Imagery Program (NAIP) imagery collected in July 2006 that covered the Jensen-Ouray reach of the Green River (Hamada and LaGory 2016). The results suggested that a PLS regression model showed high correlation with the reference depth (R 2 = 0.69) and had the most unbiased and consistent estimate of backwater depth. The results also indicated that the PLS model would provide reasonable estimates of the amount of habitat providing a minimum suitable depth of 30 cm for young-of-the-year Colorado pikeminnow, even though absolute depth estimates may be uncertain for backwater areas deeper than approximately 40 cm. The study also provided insights regarding the amount and the selection of calibration and validation (cal-val) data needed for improving the accuracy of depth prediction.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Quantum Fluctuations and Multifractally enhanced Superconductivity in Disordered Thin Films

The interplay between electron–electron interactions and weak localization (or anti-localization) phenomena in two-dimensional systems can significantly enhance the superconducting transition temperature. For this work, we develop the theory of quantum fluctuations within such multifractally enhanced superconducting states in thin films. In conditions of weak disorder, we employ the Finkel’stein nonlinear sigma model to derive an effective action for the superconducting order parameter and the quasiclassical Green’s function, meticulously accounting for the influence of quantum fluctuations. This effective action, applicable for interactions of any strength, reveals the critical role of well-known collective modes in a dirty superconductor, and its saddle-point analysis leads to modified Usadel and gap equations. These equations comprehensively incorporate the renormalizations stemming from the interplay between interactions and disorder, resulting in the non-trivial energy dependence of the gap function. Notably, our analysis establishes a direct relation between the self-consistent gap equation at the superconducting transition temperature and the known renormalization group equations for interaction parameters in the normal state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1958

X-15 research airplane development status

The purpose of this paper is to try to bridge the gap between the October 1956 conference and the material to be presented in this conference, and to try to orient the various papers to represent a complete research system. (author)

Greene, L P↗

NASA NTRSDate not supplied

Wearable Protective Technologies

We are currently creating protective garments to be worn during the duration of SPE (solar particle events). Several garment prototypes have been created to protect the body, but nothing has been created for head protection. My focus during this internship was creating headgear designs. Some of the big requirements of an effective headgear design is that the hood design needs to cover the forehead and not have any gaps between the hood and neckline, and the areal density of radiation shielding needs to be at least 1.5 g/cm2. My designs were inspired by many different brands and designers including Nike’s outerwear selection, Moncler’s Fall 20 Genius collaborations with Simone Rocha, Craig Green, and Alyx, Marine Serre F/W 20, and A-Cold-Wall S/S 19. All of these had great examples of hood and vest designs. Many sketches were created from these and many other inspirations. Pattern development began by taking several measurements of the head and neck. I drafted the hood to cover the forehead and cover the neck. After the initial draft, the pattern was modified to accommodate a center panel to contour and shape the hood further. I also created a shoulder drape based on a kimono sleeve to add extra coverage over the neckline of the garment from a basic sloper’s neckline and shoulders. Radiation shielding was a special consideration in my design work. I did extensive research on different materials and ways to incorporate them into garments and found that I was not limited to polypropylene or polyethylene. Many common textiles are hydrogen rich, such as cotton, polyester, and silk, and could be incorporated into designs as radiation shielding. From this research, I am in the process of creating a prototype that uses these materials as shielding. I will be returning for the summer and hope to put more of the ideas I have into production.

Nicole Dugan↗

DOE OSTI2026

Examining Aerosol Vertical Transport and Removal during Deep Convective Events

Atmospheric aerosols affect the global energy budget by scattering and absorbing sunlight (direct effects) and by changing the microphysical structure, lifetime, and coverage of clouds (indirect effects). Globally, the free troposphere is a major source of nucleation- and Aitken-mode aerosols due to the enhanced new particle formation rates at high altitudes. Recent studies have shown deep convective systems are capable of transporting these small aerosols from the free troposphere to the boundary layer by strong convective downdrafts and weaker downward motions in the stratiform regions. These vertically transported aerosols can grow into cloud condensation nuclei (CCN) and play a significant role in the global climate. During the deep convective processes, existing accumulation-mode aerosols that act as coagulation sinks of smaller particles are also removed by wet scavenging. Compared to the vertical transport of these particles by entrainment mixing, which is slower but more prevalent, the deep convective downdraft processes may be more rapid and efficient in the vertical transport of aerosols. However, most of the current climate models do not include this mechanism as a source of CCN, mainly because the frequency of deep convective events varies significantly with geographic location and thus their contributions to CCN are unpredictable. We target this critical gap in understanding the vertical transport and removal of aerosols by deep convections. We proposed to analyze a multi-year, multi-site measurement record available from the U.S. Department of Energy (DOE) ARM program, including the observations from the 2014/15 Observations and Modeling of the Green Ocean Amazon (GoAmazon) field campaign, the 2017/18 Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign, the 2018/19 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign, the 2021/22 Tracking Aerosol Convection Interactions Experiment (TRACER) field campaign, and the long-term measurements collected at the Southern Great Plains (SGP) atmospheric observatory, where deep convective clouds were frequently observed. This project is aimed at the following three objectives: (1) Gaining a detailed and quantitative understanding of the aerosols transported by a convective downdraft and their evolution in the atmosphere; (2) Examining the wet scavenging mechanisms and efficiencies of aerosols at altitudes of deep convective systems based on ground and aircraft measurements; (3) Evaluating the contribution of deep convective systems to CCN as both a source and a sink of atmospheric aerosols and its seasonal variabilities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Theory of Nonlinear Diffusion with a Physical Gapped Mode

In a system with one conserved charge the charge diffusion is modified by nonlinear self-interactions within an effective field theory (EFT) of diffusive fluctuations. We include the slowest ultraviolet (UV) mode, constructing a UV-regulated EFT. The relaxation time of this UV mode is protected from renormalization, as supported by experimental data in a bad metal system. Furthermore, the retarded density-density Green’s function acquires four branch points, eventually increasing the range of applicability. We discuss the fate of long time tails as well as implications for the quark gluon plasma. Published by the American Physical Society 2024

Physics↗

NASA NTRS2022

Quantifying Earth System Interactions for Sustainable Food Production Via Expert Elicitation

Several safe boundaries of critical Earth system processes have already been crossed due to human perturbations; not accounting for their interactions may further narrow the safe operating space for humanity. Using expert knowledge elicitation, we explored interactions among seven variables representing Earth system processes relevant to food production, identifying many interactions little explored in Earth system literature. We found that green water and land system change affect other Earth system processes strongly, while land, freshwater and ocean components of biosphere integrity are the most impacted by other Earth system processes, most notably blue water and biogeochemical flows. We also mapped a complex network of mechanisms mediating these interactions and created a future research prioritization scheme based on interaction strengths and existing knowledge gaps. Our study improves the understanding of Earth system interactions, with sustainability implications including improved Earth system modelling and more explicit biophysical limits for future food production.

Expert knowledge elicitation↗