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At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantifying the Impacts of Land-Cover Change on the Hydrologic Response to Hurricane Ida in the Lower Mississippi River Basin

Abstract The Lower Mississippi River basin (LMRB) has experienced significant changes in land cover and is one of the most vulnerable regions to hurricanes in the United States. Here, we study the impacts of land-cover change on the hydrologic response to Hurricane Ida in LMRB. By using an integrated surface–subsurface hydrologic model, Energy Exascale Earth System Model (E3SM) Land Model coupled with the three-dimensional ParFlow subsurface flow model (ELM-ParFlow), we simulate the effects of land-cover change on the flood volume and peak timing induced by rainfall from Hurricane Ida. The results show that land-cover changes from 1850 to 2015, which resulted in a smoother surface and less vegetation, exacerbated both flood peak time and volume induced by Hurricane Ida. The effects of land-cover changes can be decomposed into two mechanisms: a smoother surface routes more water faster to a watershed outlet and less vegetation allows more water to contribute to surface runoff. By comparing scenarios in which the two mechanisms were isolated, we found that changes in soil moisture due to vegetation cover change have more dominant effects on floods in the southern part and changes in Manning’s coefficient have the largest effect on floods in the northern part of the LMRB. The study provides important insights into the complex relationship between land-use, land-cover, and hydrologic processes in coastal regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

SREMI: Super-resolution electromagnetic imaging with single-channel ground-penetrating radar

High-resolution near-surface imaging has important applications in civil engineering, infrastructure inspection, military threat detection, geological characterization, and lunar and planetary exploration. Zero-offset, singlechannel ground penetrating radar (GPR) imaging is an established technique for near-surface target imaging and sensing but often suffers from low spatial resolution and imaging artifacts, especially of deep structures. In response, we formulate the GPR imaging as a dual-sparsity optimization problem, and develop a super-resolution electromagnetic imaging method based on a fast iterative shrinkage-thresholding algorithm. We develop our GPR imaging method in the framework of electromagnetic exploding-reflectors simulation theory, therefore the imaging method is computationally efficient. In this work, we demonstrate through synthetic and field data examples that our method can produce sharper, more reliable images with fewer artifacts compared with single-pass reverse-time migration GPR method, thus leading to improved near-surface interpretation and object identification.

58 GEOSCIENCES↗
DOE OSTI2021

Estimating Surface Solar Irradiance Using Meteosat-8 Satellite for India and Surrounding Regions (2017-2019)

Using the Physical Solar Model, Version 3 (PSM V3), the National Renewable Energy Laboratory—in collaboration with the University of Wisconsin, the National Oceanic and Atmospheric Administration, and Solar Consulting Services—produced modeled surface solar irradiance based on Meteosat-8 satellite cloud information. PSM V3 implements a physics-based radiative transfer approach to model surface solar irradiance using cloud properties processed from raw satellite data and ancillary data such as aerosol optical depth and precipitable water vapor from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2). Further, the modeled surface solar irradiance was validated using 10 high-quality ground measurement data from the Baseline Surface Radiation Network. The modeled data showed good correlation with the ground measurement, and the overall uncertainty is less than 35% for all validation locations. Because of the satellite viewing geometry, the Indian and European locations demonstrated higher uncertainties than the African locations, where the Meteosat-8 satellite has a more nadir viewing geometry. Further, instruction on how to access the data is provided.

14 SOLAR ENERGY↗
DOE OSTI2024

Colloidal InAs Quantum Dot-Based Infrared Optoelectronics Enabled by Universal Dual-Ligand Passivation

Solution-processed low-bandgap semiconductors are crucial to next-generation infrared (IR) detection for various applications, such as autonomous driving, virtual reality, recognitions, and quantum communications. In particular, III–V group colloidal quantum dots (CQDs) are interesting as nontoxic bandgap-tunable materials and suitable for IR absorbers; however, the device performance is still lower than that of Pb-based devices. Herein, a universal surface-passivation method of InAs CQDs enabled by intermediate phase transfer (IPT), a preliminary process that exchanges native ligands with aromatic ligands on the CQD surface is presented. IPT yields highly stable CQD ink. In particular, desirable surface ligands with various reactivities can be obtained by dispersing them in green solvents. Furthermore, CQD near-infrared (NIR) photodetectors are demonstrated using solution processes. Careful surface ligand control via IPT is revealed that enables the modulation of surface-mediated photomultiplication, resulting in a notable gain control up to ≈10 with a fast rise/fall response time (≈12/36 ns). Considering the figure of merit (FOM), EQE versus response time (or –3 dB bandwidth), the optimal CQD photodiode yields one of the highest FOMs among all previously reported solution-processed nontoxic semiconductors comprising organics, perovskites, and CQDs in the NIR wavelength range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A constitutive model incorporating grain refinement strengthening on metallic alloys

Surface nano-crystallization techniques have been recently developed as one of the most efficient ways to optimize materials’ structure, and therefore develop the local and global mechanical behavior as to increase strength without compromising ductility. Here, in this work, we present a constitutive model incorporating grain refinement hardening to simulate the nano-crystallization technique, specifically, surface mechanical attrition treatment. The computation is implemented using user-defined VUMAT subroutines. As an example of its application, a geometry model with full coverage of random impacts are employed. The results show that the model has rather precise predictability of grain size evolution during plastic deformation. The readily embedded with a computational code of material dynamics enables this novel model to be a promising tool to study the dynamic evolution of microstructures under plastic deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exsolution-Driven Surface Transformation in the Host Oxide

Exsolution synthesizes self-assembled metal nanoparticle catalysts via phase precipitation. An overlooked aspect in this method thus far is how exsolution affects the host oxide surface chemistry and structure. Such information is critical as the oxide itself can also contribute to the overall catalytic activity. Here, combining X-ray and electron probes, we investigated the surface transformation of thin-film SrTi 0.65 Fe 0.35 O 3 during Fe 0 exsolution. We found that exsolution generates a highly Fe-deficient near-surface layer of about 2 nm thick. Moreover, the originally single-crystalline oxide near-surface region became partially polycrystalline after exsolution. Such drastic transformations at the surface of the oxide are important because the exsolution-induced nonstoichiometry and grain boundaries can alter the oxide ion transport and oxygen exchange kinetics and, hence, the catalytic activity toward water splitting or hydrogen oxidation reactions. These findings highlight the need to consider the exsolved oxide surface, in addition to the metal nanoparticles, in designing the exsolved nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure-Based Design of Dual Bactericidal and Bacteria-Releasing Nanosurfaces

Here, we report synergistic nanostructured surfaces combining bactericidal and bacteria-releasing properties. A polystyrene-block-poly(methyl methacrylate) (PS-block-PMMA) diblock copolymer is used to fabricate vertically oriented cylindrical PS structures (“PS nanopillars”) on silicon substrates. The results demonstrate that the PS nanopillars (with a height of about 10 nm, size of about 50 nm, and spacing of about 70 nm) exhibit highly effective bactericidal and bacteria-releasing properties (“dual properties”) against Escherichia coli for at least 36 h of immersion in an E. coli solution. Interestingly, the PS nanopillars coated with a thin layer (≈3 nm thick) of titanium oxide (TiO 2 ) (“TiO 2 nanopillars”) show much improved dual properties against E. coli (a Gram-negative bacterium) compared to the PS nanopillars. Moreover, the dual properties emerge against Listeria monocytogenes (a Gram-positive bacterium). To understand the mechanisms underlying the multifaceted property of the nanopillars, coarse-grained molecular dynamics (MD) simulations of a lipid bilayer (as a simplified model for E. coli) in contact with a substrate containing hexagonally packed hydrophilic nanopillars were performed. The MD results demonstrate that when the bacterium–substrate interaction is strong, the lipid heads adsorb onto the nanopillar surfaces, conforming the shape of a lipid bilayer to the structure/curvature of nanopillars and generating high stress concentrations within the membrane (i.e., the driving force for rupture) at the edge of the nanopillars. Membrane rupture begins with the formation of pores between nanopillars (i.e., bactericidal activity) and ultimately leads to the membrane withdrawal from the nanopillar surface (i.e., bacteria-releasing activity). In the case of Gram-positive bacteria, the adhesion area to the pillar surface is limited due to the inherent stiffness of the bacteria, creating higher stress concentrations within a bacterial cell wall. In conclusion, the present study provides insight into the mechanism underlying the “adhesion-mediated” multifaceted property of nanosurfaces, which is crucial for the development of next-generation antibacterial surface coatings for relevant medical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Revealing the mechanism of surfactant-promoted enzymatic hydrolysis of dilute acid pretreated bamboo

Here, to improve the enzymatic digestibility of dilute acid pretreated bamboo residue (DABR), surfactants including PEG 4000 and Tween 80 were added to prevent the non-productive adsorption between residual lignin and enzyme. At the optimal loadings (e.g., 0.2 and 0.3 g surfactant/g lignin), the enzymatic digestibility of DABR improved from 29.4% to 64.6% and 61.6% for PEG 4000 and Tween 80, respectively. Furthermore, the promoting mechanism of these surfactants on enzymatic hydrolysis was investigated by real-time surface plasmon resonance (SPR) and fluorescence spectroscopy. Results from SPR analysis showed that Tween 80 outperformed PEG 4000 in terms of dissociating the irreversible cellulase adsorption onto lignin. Fluorescence quenching mechanism revealed that PEG 4000 and Tween 80 intervened the interaction between lignin and cellulase by hydrogen bonds/Van der Waals and hydrophobic action, respectively. This work provided an in-depth understanding of the mechanisms of PEG 4000 and Tween 80 on enhancing the enzymatic hydrolysis efficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

On the Departure from Monin–Obukhov Surface Similarity and Transition to the Convective Mixed Layer

Large-eddy simulations are used to evaluate mean profile similarity in the convective boundary layer (CBL). Particular care is taken regarding the grid sensitivity of the profiles and the mitigation of inertial oscillations in the simulation spin-up. The nondimensional gradients Φ for wind speed and air temperature generally align with Monin–Obukhov similarity across cases but have a steeper slope than predicted within each profile. The same trend has been noted in several other recent studies. The Businger-Dyer relations are modified here with an exponential cutoff term to account for the decay in Φ to first-order approximation, yielding improved similarity from approximately 0.05z i to above 0.3z i , where z i is the CBL depth. The necessity for the exponential correction is attributed to an extended transition from surface scaling to zero gradient in the mixed layer, where the departure from Monin–Obukhov similarity may be negligible at the surface but becomes substantial well below the conventional surface layer height of 0.1 z i .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Kilopower - Powering the Future of Space Exploration [Poster]

The Kilopower Project was initiated by NASA’s Space Technology Mission Directorate to demonstrate subsystem-level technology readiness of small space fission power in a relevant environment (TRL 5) for space science and human exploration power needs. The Kilopower Project centerpiece is the Kilowatt Reactor Using Stirling Technology (KRUSTY) test, which consists of the development and testing of a ground technology demonstrator of a 1 kWe class fission power system. The technologies to be developed and validated by KRUSTY are extensible to space fission power systems from 1 to 10 kWe, which can enable modular surface fission power systems for human exploration, as well as higher power future potential deep space science missions.

42 ENGINEERING↗
DOE OSTI2019

Thermal Behavior During the Selective Laser Melting Process of Ti-6Al-4V Powder in the Point Exposure Scan Pattern

Currently, there are two main scan patterns, including the continuous exposure scan pattern and the point exposure scan pattern, during the selective laser melting (SLM) process. The point exposure scan pattern allows a three-dimensional (3-D) printer to build finer detail features as a static molten pool that is more stable than a dynamic one. However, there has been limited theoretical research on the thermal behavior characteristics during the process in the point exposure scan pattern. Therefore, in this study, the simulation of thermal behavior during SLM of Ti-6Al-4V powder in the point exposure scan pattern was performed. The temperature evolution behavior of different positions and the effects of exposure time on the temperature evolution behavior of different positions, temperature distributions, and dimensions of the molten pool were investigated. The results showed that the direct exposure position and unexposed position had significantly different temperature evolution behaviors under a given condition, and the changed exposure time had the greatest influence on the direct exposure position compared with unexposed position. Moreover, the thermal accumulation effect of a former exposure point on a later one decreased with increasing exposure time. In addition, with the increase of exposure time, the maximum temperature of the molten pool was enhanced and the surface morphology of the molten pool changed from an approximate ellipse to an approximate circle. Besides, the molten pool dimensions were found to increase with exposure time, which indicated that the exposure time played an important role in the stability of the molten pool and the metallurgical bonding in the process. Furthermore, the dimensions of the molten pool and metallurgical bonding in the cross-sectional view were obtained through experiments. Good agreement was obtained when comparing the simulated results with the experimental ones.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bulk‐Boundary Correspondence of Semimetal Ru 3 Sn 7 and Topological Surface States on Chemically Realistic Terminations

Ru 3 Sn 7 is experimentally demonstrated as an efficient catalyst, with potential utilization of topological surface states for hydrogen evolution reaction. Despite its promising catalytic performance, the topological nature of Ru 3 Sn 7 remains uncertain. Particularly, the bulk-boundary correspondence has not yet been established, hence hindering a rigorous justification of its topologically-protected surface states. In this work, the bulk topology of Ru 3 Sn 7 is detailed using first-principles calculations and the topological quantum chemistry formalism. Ru3Sn7 turns out to be an enforced semimetal possessing symmetry-protected crossings within a set of bands near the Fermi level, which are enforced and prescribed by the violations of symmetry-prescribed compatibility relations. Moreover, the surface states and the associated origin from the same set of entangled bands are identified, thereby establishing the bulk-boundary correspondence. To evaluate the effects of chemical modifications, the response of topological surface states to various surface terminations, stoichiometry, and oxidation is examined. The surface structures are globally optimized, and the phase diagrams for various experimental conditions are built. It is shown that, due to changes in the local chemical environment, the original surface states are significantly altered. Modified surface bands can be observed near the Fermi level on surface terminations that preserve the C 4v symmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantifying biofilm propagation on chemically modified surfaces

Conditions affecting biofilm formation differ among bacterial species and this presents a challenge to studying biofilms in the lab. This work leverages functionalized silanes to control surface chemistry in the study of early biofilm propagation, quantified with a semi-automated image processing algorithm. These methods support the study of Pantoea sp. YR343, a gram-negative bacterium isolated from the poplar rhizosphere. We found that Pantoea sp. YR343 does not readily attach to hydrophilic surfaces but will form biofilms with a “honeycomb” morphology on hydrophobic surfaces. Our image processing algorithm described here quantified the evolution of the honeycomb morphology over time, and found the propagation to display a logarithmic behavior. This methodology was repeated with a flagella-deficient fliR mutant of Pantoea sp. YR343 which resulted in reduced surface attachment. Quantifiable differences between Pantoea WT and ΔfliR biofilm morphologies were captured by the image processing algorithm, further demonstrating the insight gained from these methods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

dynamics of organic-mineral interactions at the metal oxide-solution interface as studied via binding energetics (Final report)

This project focused on addressing longstanding fundamental and experimental uncertainties on how dissolved organic substances (DOS) interact with metal oxide surface under environmentally relevant conditions. By leveraging a custom-built real-time, in-tandem flow adsorption microcalorimetry-UV-Vis/fluorescence spectroscopy platform, we characterized the binding energetics, kinetics and mechanistic pathways driving DOS-metal oxide interactions at temporal resolution on the order of 1-5 seconds. We studied a diverse suite of model organic compounds/substances – including monocarboxylates (e.g. acetate and benzoate), di-carboxylates (oxalate and succinate), amino acids, amino-based nanparticles and natural organic matter – interacting at the mineral-water interface of structurally- and/or chemically distinct metal oxides (including SiO2, boehmite, ferrihydrite, and γ-Al2O3). Our results indicated that DOS-metal oxide interactions are governed by multi-step reaction pathways, often switching between distinct, resolvable enthalpy- and entropy-driven non-electrostatic or electrostatic configurations. To quantify these interactions, we developed and implemented an analytical workflow that integrates peak deconvolution and Monte-Carlo based error propagation to determine site-specific thermodynamic and kinetic parameters for individual binding/debinding events. In addition to resolving apparent first-order rate constants of each event, we were able to quantify associated apparent equilibrium constants as well as free energy, enthalpy and entropy contribution to the activation and subsequent progression of the binding/debinding process across compounds, compound class and metal oxide surfaces. The kinetic-thermodynamic data produced in this study captured how the interplay between oxide surface reactivity and DOS molecular structure jointly drives binding-debinding dynamics. Notably, that at pH below PZC of the oxide surface, neutral species were heavily involved in monocarboxylate binding, while anionic species drove dicarboxylate binding. Also, that among amino acids 1) positional isomers show distinctive binding characteristics to each other while enantiomers show no significant differences in binding characteristics, 2) molecules that bind via outer-sphere complexation show a larger entropic shift between binding and debinding with no impact on oxide surface while 3) inner-sphere interactions increased anion exchange capacity of the oxide surface. The new insights and data from this work has great potential for improving predictive modeling of carbon dynamics and specifically organic-mineral interactions in environmental and industrial systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Sub-melt nanosecond pulsed-laser induced densification and strain-field relaxation in single-crystal diamond

Dislocations and polishing-induced defect networks in synthetic diamond introduce local strain fields and broaden Raman features, limiting performance in optical, thermal, and electronic applications. Laser annealing is emerging as a promising approach to repair surface and near-surface defects in diamond without entering the melt regime, yet surface densification, defect-state modification, and associated structural changes have not been well quantified. In this work, we show that sub-melt nanosecond pulsed-laser annealing (PLA) induces near-surface densification and defect-mediated strain relaxation in single-crystal Chemical Vapor Deposition (CVD) diamond. Single- and two-pulse PLA were applied, and structural evolution was quantified using co-registered ISO 25,178 white-light interferometry, depth-resolved Raman spectroscopy, and cross-sectional STEM with geometric phase analysis (GPA). Across a 5 × 6 grid (n = 30), responsive regions exhibit large reductions in local slope (Sdq 45–65%), developed area (Sdr 60–90%), height spread (Sp, Sz 30–65%), void volume (Vv 57–60%), and roughness amplitude (Sa, Sq 48–57%), consistent with densification of ∼4–6.5 nm. Raman profiling shows narrowing of the diamond line and improved spectral uniformity to depths of ∼2–3 μm. Given that the Raman probing depth significantly exceeds the densified layer thickness, this response is interpreted as consistent with long-range strain-field redistribution originating from the near-surface region. STEM-GPA strain maps further support this interpretation, showing smoother strain fields, suppressed hotspots, and redistribution of localized strain concentrations following PLA. These results are consistent with defect-mediated strain relaxation and densification-driven modification of the near-surface energy state. The approach provides a scalable pathway for improving near-surface structural quality in diamond relevant to electronic, photonic, and quantum applications.

Areal surface metrology (ISO 25,178)↗
DOE OSTI2021

Quantifying the anomalous water absorption behavior of cement mortar in view of its physical sensitivity to water

The one-dimensional water absorption into cement-based materials, possibly the simplest case of unsaturated water flow playing a fundamental role in predicting mass transport and durability, is still far from being completely understood due to several puzzling anomalies. Considering the water sensitivity of C-S-H gels (swell upon wetting and contract upon drying), a modified Richards equation (MRE) is proposed to quantify the anomalous water absorption into cement-based materials of changing porosity. Consistent experimental tests on a cement mortar and calculations indicate that the MRE with time-decaying water permeability can quantitatively capture the long-term absorption with two linear stages and a nonlinear transition stage between them. The water sensitivity is validated to be responsible for the anomalous deviation of water absorption from the classical square root of time law. It also partially contributes to the anomalous dependence of sorptivity on the temperature-dependent surface tension and viscosity of water and many organic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Contributions to the Surface Downwelling Longwave Irradiance during Arctic Winter at Utqiaġvik (Barrow), Alaska

Intrusions of warm, moist air into the Arctic during winter have emerged as important contributors to Arctic surface warming. Previous studies indicate that temperature, moisture, and hydrometeor enhancements during intrusions all make contributions to surface warming via emission of radiation down to the surface. Here, datasets from instrumentation at the Atmospheric Radiation Measurement User Facility in Utqiaġvik (formerly Barrow) for the six months from November through April for the six winter seasons of 2013/14–2018/19 were used to quantify the atmospheric state. These datasets subsequently served as inputs to compute surface downwelling longwave irradiances via radiative transfer computations at 1-min intervals with different combinations of constituents over the six winter seasons. The computed six winter average irradiance with all constituents included was 205.0 W m −2 , close to the average measured irradiance of 206.7 W m −2 , a difference of −0.8%. During this period, water vapor was the most important contributor to the irradiance. The computed average irradiance with dry gas was 71.9 W m −2 . Separately adding water vapor, liquid, or ice to the dry atmosphere led to average increases of 2.4, 1.8, and 1.6 times the dry atmosphere irradiance, respectively. During the analysis period, 15 episodes of warm, moist air intrusions were identified. During the intrusions, individual contributions from elevated temperature, water vapor, liquid water, and ice water were found to be comparable to each other. These findings indicate that all properties of the atmospheric state must be known in order to quantify the radiation coming down to the Arctic surface during winter.

54 ENVIRONMENTAL SCIENCES↗