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At least 235 records · Page 13

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NASA NTRS2011

Evaluation of Surface Modification as a Lunar Dust Mitigation Strategy for Thermal Control Surfaces

Three surface treatments were evaluated for their ability to lower the adhesion between lunar simulant dust and AZ93, AlFEP, and AgFEP thermal control surfaces under simulated lunar conditions. Samples were dusted in situ and exposed to a standardized puff of nitrogen gas. Thermal performance before dusting, after dusting, and after part of the dust was removed by the puff of gas, were compared to perform the assessment. None of the surface treatments was found to significantly affect the adhesion of lunar simulants to AZ93 thermal control paint. Oxygen ion beam texturing also did not lower the adhesion of lunar simulant dust to AlFEP or AgFEP. But a workfunction matching coating and a proprietary Ball Aerospace surface treatment were both found to significantly lower the adhesion of lunar simulants to AlFEP and AgFEP. Based on these results, it is recommended that all these two techniques be further explored as dust mitigation coatings for AlFEP and AgFEP thermal control surfaces.

Gaier, James R.↗

NASA NTRS2016

Surface Pressure Dependencies in the Geos-Chem-Adjoint System and the Impact of the GEOS-5 Surface Pressure on CO2 Model Forecast

In the GEOS-Chem Adjoint (GCA) system, the total (wet) surface pressure of the GEOS meteorology is employed as dry surface pressure, ignoring the presence of water vapor. The Jet Propulsion Laboratory (JPL) Carbon Monitoring System (CMS) research team has been evaluating the impact of the above discrepancy on the CO2 model forecast and the CO2 flux inversion. The JPL CMS research utilizes a multi-mission assimilation framework developed by the Multi-Mission Observation Operator (M2O2) research team at JPL extending the GCA system. The GCA-M2O2 framework facilitates mission-generic 3D and 4D-variational assimilations streamlining the interfaces to the satellite data products and prior emission inventories. The GCA-M2O2 framework currently integrates the GCA system version 35h and provides a dry surface pressure setup to allow the CO2 model forecast to be performed with the GEOS-5 surface pressure directly or after converting it to dry surface pressure.

Carbon Monitoring System↗

NASA NTRS2016

Surface Pressure Dependencies in the GEOS-Chem-Adjoint System and the Impact of the GEOS-5 Surface Pressure on CO2 Model Forecast

Lee, Meemong↗

NASA NTRS2016

A Quasi-Global Approach to Improve Day-Time Satellite Surface Soil Moisture Anomalies through the Land Surface Temperature Input

Passive microwave observations from various spaceborne sensors have been linked to the soil moisture of the Earth's surface layer. A new generation of passive microwave sensors are dedicated to retrieving this variable and make observations in the single theoretically optimal L-band frequency (1-2 GHz). Previous generations of passive microwave sensors made observations in a range of higher frequencies, allowing for simultaneous estimation of additional variables required for solving the radiative transfer equation. One of these additional variables is land surface temperature, which plays a unique role in the radiative transfer equation and has an influence on the final quality of retrieved soil moisture anomalies. This study presents an optimization procedure for soil moisture retrievals through a quasi-global precipitation-based verification technique, the so-called Rvalue metric. Various land surface temperature scenarios were evaluated in which biases were added to an existing linear regression, specifically focusing on improving the skills to capture the temporal variability of soil moisture. We focus on the relative quality of the day-time (01:30 pm) observations from the Advanced Microwave Scanning Radiometer for Earth Observing System (AMSR-E), as these are theoretically most challenging due to the thermal equilibrium theory, and existing studies indicate that larger improvements are possible for these observations compared to their night-time (01:30 am) equivalent. Soil moisture data used in this study were retrieved through the Land Parameter Retrieval Model (LPRM), and in line with theory, both satellite paths show a unique and distinct degradation as a function of vegetation density. Both the ascending (01:30 pm) and descending (01:30 am) paths of the publicly available and widely used AMSR-E LPRM soil moisture products were used for benchmarking purposes. Several scenarios were employed in which the land surface temperature input for the radiative transfer was varied by imposing a bias on an existing regression. These scenarios were evaluated through the Rvalue technique, resulting in optimal bias values on top of this regression. In a next step, these optimal bias values were incorporated in order to re-calibrate the existing linear regression, resulting in a quasi-global uniform LST relation for day-time observations. In a final step, day-time soil moisture retrievals using the re-calibrated land surface temperature relation were again validated through the Rvalue technique. Results indicate an average increasing Rvalue of 16.5%, which indicates a better performance obtained through the re-calibration. This number was confirmed through an independent Triple Collocation verification over the same domain, demonstrating an average root mean square error reduction of 15.3%. Furthermore, a comparison against an extensive in situ database (679 stations) also indicates a generally higher quality for the re-calibrated dataset. Besides the improved day-time dataset, this study furthermore provides insights on the relative quality of soil moisture retrieved from AMSR-E's day- and night-time observations.

soil moisture↗

NASA NTRSDate not supplied

Ultrashort Pulse Laser Surface Processing Techniques for Sterilization of Metal Surfaces for Planetary Protection

To prevent forward contamination from microbes aboard spacecraft intended to search for extraterrestrial life, there is a need for effective sterilization methods. However, current techniques are both time-consuming and expensive. For example, dry heat sterilization requires removal from the assembly site and several days of treatment. Furthermore, some components such as optics and electronics are not compatible with current sterilization techniques. Here, we report the latest results in our development of a novel femtosecond laser processing technique for the rapid sterilization of spacecraft hardware. Femtosecond lasers produce extremely high photon fluxes (10^29 photons/sec*cm^2, ~0.03 J/cm^2) in extremely short pulses, which can inactivate even stress-tolerant microbial spores with minimal damage to the spacecraft surface. Aluminum coupons were inoculated with specific densities of Bacillus subtilis bacterial endospores. These coupons were treated with various laser illumination parameters. Afterward, metal coupon samples were assayed for viable spores using a polyvinyl alcohol (PVA) peel, serial dilution, and plating for colony-forming units (CFU). Results indicate that with high enough energy density and pulse counts, most bacterial spores are inactivated with minimal damage to the metal. The sterilization is dependent on both the fluence and pulse count. In addition, femtosecond pulses are more effective than longer pulses for inactivation. These experiments have consistently achieved 4-log reduction in viable spores. Sterilization has been achieved on both flat metal coupons and non-flat surfaces with microchannels, with a slight reduction in sterilization efficiency on the uneven surface. The application of air flow during laser processing was also investigated as a way to remove spores that are dislodged from the surface by the laser illumination, which would contribute to the reduction of spacecraft bioburden. With laser processing technology rapidly evolving, our results support the possibility of an extremely rapid, in-situ surface sterilization method for use in spacecraft assembly clean rooms.

Kaleb McQuillan↗

DOE OSTI2024

Economic assessment of a multistage surface-heated vacuum membrane distillation process for the treatment of hypersaline produced water

Here, the treatment and disposal of hypersaline produced water remains a challenge, particularly for oil and gas producers in the Permian basin where production wells generate significant amounts of wastewater, and the traditional method of injecting wastewater into disposal wells is coming under increasing scrutiny. Here we investigate the viability of using solar energy to power a multi-stage, surface heated, vacuum membrane distillation (SHVMD) with energy recovery to treat hypersaline produced wastewater from Midland, Texas. Membrane distillation is a process that can desalinate waters with high total dissolved solids concentration, and when incorporated into a system with surface heating and energy recovery can achieve high water recovery rates. Model results show that a 6-stage SHVMD system with a 54.4 % water recovery rate and a gained output ratio (GOR) of 3.28 has the potential to be economically viable when used to treat hypersaline produced water in the Permian basin. Assuming energy costs of $\$0.03$/kWh thermal and $\$0.12$kWh electric , we estimate a project net present value (NPV) of $\$225,525$ and an internal rate of return (IRR) of 13.5 % when an air cooled condensor is used to cool the distillate and a NPV of $\$570,791$ and IRR of 24.52 % when a liquid coooling source is available.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission

X-ray standing-wave (XSW) excited photoelectron emission was used to measure the site-specific valence band (VB) for ½ monolayer (ML) Pt grown on a SrTiO 3 (001) surface. The XSW induced modulations in the core level (CL), and VB photoemission from the surface and substrate atoms were monitored for three ℎ⁡kl substrate Bragg reflections. The XSW CL analysis shows the Pt to have a face-centered-cubic-like cube-on-cube epitaxy with the substrate. The XSW VB information compares well to a density functional theory calculated projected density of states from the surface and substrate atoms. Altogether, this Letter represents a novel method for determining the contribution to the density of states by valence electrons from specific atomic surface sites.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Effects of Surface Hydrophobicity on Catalytic Transfer Hydrogenation of Styrene with Formic Acid in a Biphasic Mixture

Transfer hydrogenation (TH) of unsaturated hydrocarbons with formic acid (FA) is an attractive processing pathway for the reduction of lignocellulosic pyrolysis oils. The low solubility of hydrophobic bio-oil species in water and FA in oil necessitates the use of a biphasic system as the reaction environment. Here, we report the effects of Pd/silica catalyst surface wettability on the TH reaction rate. Modification of the surface with short chain (C1–C4) alkyl silanes resulted in an increase in the reaction rate as compared to the unmodified catalyst. In contrast, modification of the surface with sulfonate (hydrophilic) and C18 alkyl silanes (hydrophobic) resulted in a decrease in the reaction rate as compared to the unmodified catalyst. Here, the results are discussed in terms of the catalyst interfacial activity and relative affinity of the reagents to the Pd active sites. An observed change in the apparent reaction order in styrene for a hydrophilic catalyst suggests that changing catalyst surface wettability from hydrophilic to hydrophobic resulted in a switch from a transport-limited to a kinetic-limited reaction regime.

09 BIOMASS FUELS↗

DOE OSTI2024

Effects of Surface Turbulence Flux Parameterizations on the MJO: The Role of Ocean Surface Waves

This study investigates the sensitivity of the Madden–Julian oscillation (MJO) to changes to the bulk flux parameterization and the role of ocean surface waves in air–sea coupling using a fully coupled ocean–atmosphere–wave model. The atmospheric and ocean model components of the Energy Exascale Earth System Model (E3SM) are coupled to a spectral wave model, WAVEWATCH III (WW3). Two experiments with wind speed–dependent bulk algorithms (NCAR and COARE3.0a) and one experiment with wave-state-dependent flux (COR3.0a-WAV) were conducted. We modify COARE3.0a to include surface roughness calculated within WW3 and also account for the buffering effect of waves on the relative difference between air-side and ocean-side momentum flux. Differences in surface fluxes, primarily caused by discrepancies in drag coefficients, result in significant differences in MJO’s properties. While COARE3.0a has better convection–circulation coupling than NCAR, it exhibits anomalous MJO convection east of the date line. The wave-state-dependent flux (COR3.0-WAV) improves the MJO representation over the default COARE3.0 algorithm. Strong easterlies over the Pacific Ocean in COARE3.0a enhance the latent heat flux (LHFLX). This is responsible for the anomalous MJO propagation after the date line. In COR3.0a-WAV, waves reduce the anomalous easterlies, leading to a decrease in LHFLX and MJO dissipation after the date line. These findings highlight the role of surface fluxes in MJO simulation fidelity. Most importantly, we show that the proper treatment of wave-induced effects in bulk flux parameterization improves the simulation of coupled climate variability.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2019

Evaluation of the Surface Reflectance Long-Term Data Record from AVHRR over Multiple Land Surface Types

In this work, we evaluate the performance of the AVHRR surface reflectance LTDR V4 using Landsat-5 Thematic Mapper (TM5) Collection-1 surface reflectance data over 440 globally distributed sites, which give a representative set of land surface types and climate conditions. Surface reflectance anisotropy effects were normalized using the VJB method, and spectral response differences were accounted for with spectral band adjustment factors (SBAFs) computed as a function of the Normalized Difference Vegetation Index (NDVI) from a set of over 100,000 hyperspectral spectra from Hyperion. The performance of the AVHRR record is reported in terms of the accuracy, precision, and uncertainty, as compared to the specifications of the reference product. Results show that the AVHRR record performance is close to the 0.071ρ+0.0071 specification defined in the original TM5 product evaluation.

LTDR↗

DOE OSTI2021

Microstructural basis for improved corrosion resistance of laser surface processed AZ31 Mg alloy

Despite their excellent strength to weight ratio, wider use of Mg alloys for light weighting applications is limited by their poor corrosion resistance, especially in chloride ion-containing environments. The present study shows improved corrosion resistance imparted by laser surface processing (LSP) of a commercial AZ31 (Mg-3Al-1Zn) alloy. Nanosecond laser processing at three different power settings was carried out on the surface of a 1 mm thick rolled AZ31 sheet. Corrosion testing based on ASTM B117 method and several other electrochemical tests indicates substantial enhancement of corrosion resistance in LSP-treated AZ31. The underlying reason behind improved corrosion resistance of LSP-AZ31 surface has been identified using a variety of characterization tools (SEM, TEM, XPS). Formation of a ~0.5 µm thick mixed metal (Mg, Al) oxide surface film together with refinement in the size and number density of Al-Mn intermetallic particles appear to be playing a major role towards improved corrosion resistance after LSP treatment of AZ31 alloy.

Jana, Saumyadeep↗

DOE OSTI2021

Technoeconomic analysis of thermoelectric power plant condensers with nonwetting surfaces

Not provided.

Energy & Fuels↗

DOE OSTI2026

Systematic Evaluation of Atmospheric Forcing, Surface Datasets, and Mesh Effects on Kilometer-Scale Land Surface and River Modeling

Earth system models are advancing toward kilometer-scale resolution to capture local climate impacts and extremes. High-resolution land and river modeling depends on multiple factors, including mesh, surface datasets, and atmospheric forcing, but their relative effects at kilometer scales remain unquantified. We evaluated five Energy Exascale Earth System Model land and river configurations over the Mid-Atlantic region using two mesh (1/8° structured versus variable-resolution unstructured mesh), two surface datasets (default versus newly developed), and three atmospheric forcings (NLDAS2, MSWX, GSWP). Evaluation against satellite, reanalysis, and in situ benchmarks across water, energy, and carbon cycles quantifies how these factors affect model performance. Forcing selection produces the largest bias reductions (12-99% across variables), followed by surface datasets (7-75%) and mesh (up to 21%). Forcing effects vary by variable, with MSWX reducing biases for snow water equivalent, evapotranspiration, albedo, temperature, and gross primary productivity, GSWP for snow cover and runoff, and NLDAS for soil moisture and streamflow. The use of newly developed surface datasets improves gross primary productivity (58% bias reduction) and evapotranspiration but increase soil moisture and albedo biases due to current modeling limitations. Variable-resolution unstructured mesh improves the simulation of small-basin streamflow through better capturing drainage networks, though mesh minimally affects other land variables. These findings provide important guidance for high-resolution modeling development and actionable science.

Land and River modeling↗

DOE OSTI2024

Dynamic Surface Incorporation of Pb 2+ Ions at the Actively Dissolving Calcite (104) Surface

The reaction of dissolved Pb 2+ with calcite surfaces at near-equilibrium conditions involves adsorption of Pb 2+ and precipitation of secondary heteroepitaxial Pb-carbonate minerals. A more complex behavior is observed under far-from-equilibrium conditions, including strong inhibition of calcite dissolution, development of microtopography, and near-surface incorporation of multiple monolayers (ML) of Pb 2+ without precipitation of secondary phases [where 1 ML ≡ 1 Ca/20.2 Å 2 , the crystallographic site density of the calcite (104) lattice plane]. However, the mechanistic controls governing far-from-equilibrium reactivity are not well understood. Here, in this study, we observe the interfacial incorporation of dissolved Pb 2+ during the dissolution of calcite (104) surfaces at pH ~3.7 in a flow-through reaction cell, revealing the formation of a ~1 nm thick Pb-rich calcite layer with a total Pb coverage of ~1.4 ML. These observations of the sorbed Pb distribution used resonant anomalous X-ray reflectivity, X-ray fluorescence, and nanoinfrared atomic force microscopy. We propose that this altered surface layer represents a novel sorption mode that is stabilized by conditions of sustained disequilibrium. This behavior may significantly impact the transport of dissolved metals during disequilibrium processes occurring in acid mine drainage and subsurface CO 2 injection and, if appropriately accounted for, could improve the predictive capability of geochemical reactive-transport models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Pynta-An Automated Workflow for Calculation of Surface and Gas-Surface Kinetics

Many important industrial processes rely on heterogeneous catalytic systems. However, given all possible catalysts and conditions of interest, it is impractical to optimize most systems experimentally. Automatically generated microkinetic models can be used to efficiently consider many catalysts and conditions. However, these microkinetic models require accurate estimation of many thermochemical and kinetic parameters. Manually calculating these parameters is tedious and error prone, involving many interconnected computations. Here, we present Pynta, a workflow software for automating the calculation of surface and gas–surface reactions. Pynta takes the reactants, products, and atom maps for the reactions of interest, generates sets of initial guesses for all species and saddle points, runs all optimizations, frequency, and IRC calculations, and computes the associated thermochemistry and rate coefficients. It is able to consider all unique adsorption configurations for both adsorbates and saddle points, allowing it to handle high index surfaces and bidentate species. Pynta implements a new saddle point guess generation method called harmonically forced saddle point searching (HFSP). HFSP defines harmonic potentials based on the optimized adsorbate geometries and which bonds are breaking and forming that allow initial placements to be optimized using the GFN1-xTB semiempirical method to create reliable saddle point guesses. This method is reaction class agnostic and fast, allowing Pynta to consider all possible adsorbate site placements efficiently. We demonstrate Pynta on 11 diverse reactions involving monodenate, bidentate, and gas-phase species, many distinct reaction classes, and both a low and a high index facet of Cu. Our results suggest that it is very important to consider reactions between adsorbates adsorbed in all unique configurations for interadsorbate group transfers and reactions on high index surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Understanding the Effect of Single Atom Cationic Defect Sites in an Al 2 O 3 (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study

Adsorption is a promising under-the-sink selenate remediation technique for distributed water systems. Recently it was shown that adsorption induced water network rearrangement control adsorption energetics on the α-Al 2 O 3 (012) surface. Here, we aim to elucidate the relative importance of the water network effects and surface cation identity on controlling selenate and sulfate adsorption energy using density functional theory calculations. Density functional theory (DFT) calculations predicted the adsorption energies of selenate and sulfate on nine transition metal cations (Sc–Cu) and two alkali metal cations (Ga and In) in the α-Al 2 O 3 (012) surface under simulated acidic and neutral pH conditions. We find that the water network effects had a larger impact on the adsorption energy than the cationic identity. However, cation identity secondarily controlled adsorption. Most cations decreased the adsorption energy, weakening the overall performance, the larger Sc and In cations enabled inner-sphere adsorption in acidic conditions because they relaxed outward from the surface, providing more space for adsorption. Additionally, only Ti induced Se selectivity over S by reducing the adsorbing selenate to selenite but not reducing the sulfate. Altogether, this study indicates that tuning water network structure will likely have a larger impact than tuning cation–selenate interactions for increasing adsorbate effectiveness.

Adsorption↗

DOE OSTI2021

Preparation of Ultrathin Gold Films with Subatomic Surface Roughness

Nanoscale device fabrication requires control over film growth at the atomic scale. Growth conditions must be tuned in consideration of interface parameters like chemical bonding, surface free energy, and lattice matching. In metals, electronic properties may also be utilized for control of physical parameters. Quantum size effects can induce metals to spontaneously form specific shapes and sizes according to their electronic structure. Unfortunately, such electronic growth is generally known only for a few systems and is typically only stable under cryogenic conditions. In this work, we explore a recently discovered class of electronic growth systems in which metal films are grown upon the relatively inert surfaces of van der Waals crystals. In this class of materials, the electronic growth is highly stable at room temperature and actually requires higher temperature annealing to achieve proper equilibrium. We work with the Au/MoS 2 system, which shows excellent stability and can readily form discrete and atomically flat nanostructures. Here, we show how the electronic growth modes facilitate the formation of atomically flat films with nanometer scale thickness. Here, the surface roughness of these films was found to be less than a single atom over several square microns, creating nearly perfect surfaces for studies of self-assembled monolayers or other applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Formation of LiF Surface Layer During Direct Fluorination of High-Capacity Co-Free Disordered Rocksalt Cathodes

Disordered rocksalt (DRX) cathodes have attracted interest due to their high capacity and compositional flexibility (e.g., Co-free chemistries). However, the sloping voltage profile and gradual capacity fade during cycling have hindered widespread adoption of these materials. Simulations predict that fluorine substitution in DRX cathodes will improve their capacity, rate performance and cyclability. In this study we use a fluidized bed reactor to fluorinate a model Lirich DRX composition (Li1.15Ni0.375Ti0.375Mo0.1O2, NTMO) to investigate how fluorine content impacts the cathode’s structure and electrochemical performance. Instead of substituting O with F to form oxyfluoride phases, direct fluorination of DRX cathodes leads to formation of LiF surface films which improves the specific energy and capacity retention. This study demonstrates the feasibility of direct fluorination to improve the electrochemical performance of high voltage cathodes by tuning the material’s surface chemistry.

Co-free disordered rock-salt cathode, direct fluor↗