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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Deciphering the source of primary biological aerosol particles: a pollen case study

Primary biological aerosol particles (PBAPs) are microscopic solids suspended in the atmosphere emitted by biological systems and play critical roles in the atmosphere and at the atmosphere-biosphere interface, impacting human health, climate, and the ecosystem function. Understanding the sources of PBAPs is necessary to decipher the mechanistic interactions between aerosols, climate, and distinct ecosystem components. However, the detection of specific PBAPs in complex ambient aerosol samples is challenging. We performed metabolomics analyses of pollen from three pollinating tree species and ambient samples collected during the peak pollination period of each species. Random Forest and sPLS-DA machine learning methods were employed to evaluate whether metabolic signatures of ambient samples can reveal the source of the main pollen particles present in the atmosphere. Our results suggest that atmospheric eco-metabolomics techniques combined with sophisticated statistical methods can decipher the origin of abundant PBAPs from complex ambient samples. Developing complete libraries containing high-resolution metabolomic fingerprints of the major PBAPs present in the atmosphere would significantly advance future research to accurately understand the role of PBAPs in the atmosphere, ecosystems and human health.

Rivas-Ubach, Albert↗
DOE OSTI2023

Influence of Application Method on Disinfectant Byproduct Formation during Indoor Bleach Cleaning: A Case Study on Phenol Chlorination

Modern disinfection methods increasingly utilize droplet dispersal as a means of delivering disinfectant within an indoor space. Such an application produces droplets over wide size ranges, some of which may remain airborne for minutes to hours while serving as small reaction environments. We report here the formation of chlorophenolic disinfection byproducts (DBPs) during the injection of bleach microdroplets into an environmental chamber. These reactions within airborne microdroplets are driven by phenol dissolution and availability, and the observed DBPs span multiple generations of chlorination chemistry. DBPs representing successive chlorine addition to the phenol ring are initially observed (mono-, di-, and trichlorophenol), followed by DBPs that lack aromaticity (2,6-dichlorobenzoquinone and 2,4,4,6-tetrachloro-2,5-cyclohexadienone, among others). Chlorophenolic DBPs have not been reported during prior work examining indoor bleach cleaning and we attribute their observation in this work to the dispersal of disinfectant microdroplets rather than traditional mopping or wiping with a bulk aqueous solution on an indoor surface. Airborne microdroplets represent unique reaction and volatilization environments and unique exposure pathways to DBPs, via direct compound inhalation as well as the inhalation of DBP-containing microdroplets. The observed DBPs (particularly 2,6-dichlorobenzoquinone) have previously been linked to adverse health effects in humans through either direct toxicity or as precursors to other DBPs with adverse health effects. In conclusion, these measurements suggest that more work is needed to understand potential DBP formation and human exposure within a variety of indoor environments where disinfection techniques that generate airborne microdroplets are used.

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

Pipe Parity Analysis of Seawater Desalination in the United States: Exploring Costs, Energy, and Reliability via Case Studies and Scenarios of Emerging Technology

As climate change-induced variables exacerbate water scarcities, the use of seawater reverse osmosis (SWRO) membrane desalination technology for treating seawater could potentially provide a long-term drought-proof source of drinking water. This study carried out a technoeconomic assessment (TEA) for three SWRO desalination plants in the U.S. and one in Israel to set baselines for the cost and energy consumption for seawater desalination. In addition, a breakeven curve for implementing SWRO desalination was estimated in relation to the cost of water conservation measures to meet drought-induced reduction of the traditional water supply. The results show that the cost of SWRO water production scales with the plant capacity while energy intensity is not dramatically different across the plants. The higher cost in some U.S. plants is due to high capital investment, including land acquisition and permitting. Variations in plant capacity utilization have the greatest impact on the levelized cost of water (LCOW) over the plant service life, suggesting the importance of reducing fouling and maintenance-related downtime. Scenario analysis of fixed labor cost reduction through process automation indicates investments in automation and sensing technology could result in long-term savings. Breakeven analysis shows the decision to adopt SWRO is highly dependent on the local cost associated with water conservation to meet water supply reduction. Moreover, a small reduction in SWRO cost can influence a shift toward the adoption of SWRO over water conservation measures. Incorporation of future water demand, water conservation potential, and water stress data around the nation indicates SWRO desalination could be an important contributor to the future municipal drinking water portfolio in the U.S.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Porous Liquids as Electrolyte: A Case Study of Li + and Mg 2+ Ion Transport in Crown Ether-Based Type-II Porous Liquids

Here, we demonstrate crown ether (CE)-based type II porous liquid (PL) electrolytes in which CEs provide internal porosity and are capable of coordinating with Li + and Mg 2+ ions. We investigated the physicochemical properties of the PL electro-lytes with different functional groups and cavity sizes. Among the electrolytes studied, the 12-crown-4 (12C4)-based PL electrolyte exhibited the most enhanced ionic conductivity due to size match between the CE cavity and the Li + ion. Nu-clear magnetic resonance and Fourier transform infrared analyses revealed that addition of CEs reduces the Li + ion–solvent interaction, resulting in the formation of Li-CE complexes. The simulation study clearly showed that the solvated Li + and Mg 2+ ions form complexes with 12C4. The strategy described here using CE-based PLs should be applicable to the design versatile electrolytes for various metal-ion batteries.

Shin, Sun Hae Ra↗
DOE OSTI2024

How Precisely Can Individual Molecules Be Analyzed? A Case Study on Locally Quantifying Forces and Energies Using Scanning Probe Microscopy

Recent advances in scanning probe microscopy methodology have enabled the measurement of tip-sample interactions with picometer accuracy in all three spatial dimensions, thereby providing a detailed site-specific and distance-dependent picture of the related properties. This paper explores the degree of detail and accuracy that can be achieved in locally quantifying probe-molecule interaction forces and energies for adsorbed molecules. Toward this end, cobalt phthalocyanine (CoPc), a promising CO 2 reduction catalyst, was studied on Ag(111) as a model system using low-temperature, ultrahigh vacuum noncontact atomic force microscopy. Data were recorded as a function of distance from the surface, from which detailed three-dimensional maps of the molecule's interaction with the tip for normal and lateral forces as well as the tip-molecule interaction potential were constructed. The data were collected with a CO molecule at the tip apex, which enabled a detailed visualization of the atomic structure. Determination of the tip-substrate interaction as a function of distance allowed isolation of the molecule-tip interactions; when analyzing these in terms of a Lennard-Jones-type potential, the atomically resolved equilibrium interaction energies between the CO tethered to the tip and the CoPc molecule could be recovered. Interaction energies peaked at less than 160 meV, indicating a physisorption interaction. As expected, the interaction was weakest at the aromatic hydrogens around the periphery of the molecule and strongest surrounding the metal center. In conclusion, the interaction, however, did not peak directly above the Co atom but rather in pockets surrounding it.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Toward Unified Autonomous Scattering Experiments: A Cross-Facility Case Study at ALS and PETRA III

Autonomous experiments rely on the integration of control, data acquisition, analysis, and decision-making frameworks. While such systems have been demonstrated at individual facilities, adapting them to additional instruments remains challenging due to differences in local infrastructure. We present a modular workflow that connects existing open-source tools for data access (Tiled), workflow orchestration (Prefect), analysis and visualization (pyFAI, Plotly Dash), and Gaussian-process-based adaptive sampling (gpCAM) into a unified framework for autonomous scattering experiments. The same configuration operates across two synchrotron beamlines (ALS 7.3.3 and PETRA III P03) with only minimal facility-specific adjustments, as shown in proof-of-concept demonstrations. This validates that a consistent design emphasizing modularity and shared interfaces can ease deployment across diverse experimental environments. The resulting framework provides a flexible foundation for extending autonomous control and analysis capabilities beyond a single beamline or instrument.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Simulating and Evaluating Atmospheric River-Induced Precipitation Extremes Along the U.S. Pacific Coast: Case Studies From 1980–2017

Atmospheric rivers (ARs) are responsible for a majority of extreme precipitation and floodevents along the U.S. West Coast. To better understand the present-day characteristics of AR-relatedprecipitation extremes, a selection of nine most intense historical AR events during 1980–2017 is simulatedusing a dynamical downscaling modeling framework based on the Weather Research and ForecastingModel. We find that the chosen framework and Weather Research and Forecasting Model configurationreproduces both large-scale atmospheric features—including parent synoptic-scale cyclones—as well asthe filamentary corridors of integrated vapor transport associated with the ARs themselves. The accuracyof simulated extreme precipitation maxima, relative to in situ and interpolated gridded observations,improves notably with increasing model resolution, with improvements as large as 40–60% for fine scale(3 km) relative to coarse-scale (27 km) simulations. A separate set of simulations using smoothedtopography suggests that much of these gains stem from the improved representation of complex terrain.Additionally, using the 12 December 1995 storm in Northern California as an example, we demonstratethat only the highest-resolution simulations resolve important fine-scale features—such as localizedorographically forced vertical motion and powerful near hurricane-force boundary layer winds. Given thedemonstrated ability of a targeted dynamical downscaling framework to capture both local extremeprecipitation and key fine-scale characteristics of the most intense ARs in the historical record, we arguethat such a configuration may be highly conducive to understanding AR-related extremes and associatedchanges in a warming climate

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Reservoirs Modify River Thermal Regime Sensitivity to Climate Change: A Case Study in the Southeastern United States

Seasonal thermal stratification in reservoirs changes the thermal regime of regulated river systems as well as stream temperature responses to climate change. Cold releases from reservoir hypolimnion can depress downstream river temperature during warm seasons. Recent large-scale climate change studies on stream temperature have largely ignored reservoir thermal stratification. In this study, we used established models to develop a framework which considers water demand and reservoir regulation with thermal stratification, and applied this model framework to the southeastern US. About half of all 271 reservoirs in our study area retain strong thermal stratification by the 2080s (2070-2099) under RCP8.5 even as median residence times decrease to 60 days from 69 days in the historic period (1979-2010). Reservoir impacts on downstream temperatures become slightly weaker in the future because of higher air temperature and stronger solar radiation. We defined a “cooling potential” to quantify the thermal energy that a water body can absorb before exceeding a water temperature threshold. In the future, higher river temperatures will reduce the cooling potential for all river segments, but more so for river segments minimally impacted by thermal stratification. Reservoir impacts on cooling potential remain strong for river segments downstream of reservoirs with strong thermal stratification. We conducted a sensitivity analysis to evaluate the robustness of our findings to errors in the hydrological simulations. While river segments subject to reservoir regulation are more sensitive to errors in hydrology than those without regulation impacts, our overall findings do not materially change due to these errors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A Case Study of Nonresonant Mode 3-s ULF Waves Observed by MMS

The nature of the 3-s ultralow frequency (ULF) wave in the Earth's foreshock region and the associated wave-particle interaction are not yet well understood. In this work, we investigate the 3-s ULF waves using Magnetospheric Multiscale (MMS) observations. By combining the plasma rest frame wave properties obtained from multiple methods with the instability analysis based on the velocity distribution in the linear wave stage, the ULF wave is determined to be due to the ion/ion nonresonant mode instability. The interaction between the wave and ions is analyzed using the phase relationship between the transverse wave fields and ion velocities and using the longitudinal momentum equation. During the stage when ULF waves have sinusoidal waveforms up to |dB|/|B 0 | ~ 3, where dB is the wave magnetic field and B0 is the background magnetic field, the wave electric fields perpendicular to B 0 do negative work to solar wind ions; along B 0 , a longitudinal electric field develops, but the V × B force is stronger and leads to solar wind ion deceleration. During the same wave stage, the backstreaming beam ions gain energy from the transverse wave fields and get deceleration along B 0 by the longitudinal electric field. The ULF wave leads to electron heating, preferentially in the direction perpendicular to the local magnetic field. Secondary waves are generated within the ULF waveforms, including whistler waves near half of the electron cyclotron frequency, high-frequency electrostatic waves, and magnetosonic whistler waves. The work improves the understanding of the nature of 3-s ULF waves and the associated wave-particle interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Simulating the Effects of Surface Energy Partitioning on Convective Organization: Case Study and Observations in the US Southern Great Plains

Realistic cloud-resolving simulations were performed to study the effects of surface energy partitioning (surface sensible and latent heat fluxes) on the organization of isolated convection into larger mesoscale convective systems (MCSs) near the US Southern Great Plains. The role of cold pools in mediating surface-convection interactions was explored. Better organized MCSs tended to occur in the experiments with perturbed wetter soil (and more active vegetation), regardless of the effects of soil moisture on the diurnal timing of convective triggering. Wetter soil led to shallower boundary layers and more convective available potential energy than drier soil. The roles of cold pools on convection are lifecycle-stage dependent: A dry surface allows more numerous colliding cold pools, thereby aiding in convective triggering by reducing entrainment in the early stages, and providing gust-front uplift in later stages. However, horizontal propagation of the cold-pool density current can outrun the convective system, creating a slantwise updraft and thus weakening the gust front uplift in later stages. This effect calls into question previous cold pool parameterizations, in which the gust front uplift is mainly proportional to the negative buoyancy of cold air. Finally, both the model and observation show an enhancement of surface latent heat flux during the passage of a gust front at night, suggesting that a positive feedback between the surface and convection helps MCSs to persist into the nighttime.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Influences on Discharge Partitioning on a Large River Delta: Case Study of the Mississippi-Atchafalaya Diversion, 1926-1950

The modern Mississippi River (M.R.) Delta is plumbed by the Mississippi and Atchafalaya rivers, setting water and sediment dispersal pathways for Earth’s fifth-largest river system. The Atchafalaya River’s (A.R.) partial annexation of discharge from the M.R., particularly between 1926 and 1950, prompted warnings of a rapid river avulsion and the construction of the Old River Control Structure to regulate flow. Natural and anthropogenic causes of this discharge annexation are difficult to disentangle. Here, we develop and validate a hydrodynamic model of flow partitioning through the historic channel network. We then isolate how several key changes to the system affected discharge partitioning and stage at the A.R.-M.R. diversion. Simulations show that erosion of the upper A.R. can account for 73% of the water discharge increase. Dredging in the lower A.R. between 1932 and 1950 can account for 35% of the water discharge increase, and was also an important control on shear stress distribution. The lower M.R. was slightly erosional during this period, and therefore hindered the A.R. discharge increase. Significant lacustrine delta deposition in A.R. had little effect on partitioning. These findings highlight the importance of A.R. enlargement processes on avulsion dynamics at this site. Given the essential nature of this river junction to the society, transportation, and commerce of the United States, improved attribution of discharge increases may lead to future management strategies that are broadly impactful.

54 ENVIRONMENTAL SCIENCES↗