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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Long-term trends in urban NO 2 concentrations and associated paediatric asthma incidence: estimates from global datasets

Combustion-related nitrogen dioxide (NO 2 ) air pollution is associated with paediatric asthma incidence. We aimed to estimate global surface NO 2 concentrations consistent with the Global Burden of Disease study for 1990-2019 at a 1 km resolution, and the concentrations and attributable paediatric asthma incidence trends in 13 189 cities from 2000 to 2019. We scaled an existing annual average NO 2 concentration dataset for 2010-12 from a land use regression model (based on 5220 NO 2 monitors in 58 countries and land use variables) to other years using NO 2 column densities from satellite and reanalysis datasets. We applied these concentrations in an epidemiologically derived concentration-response function with population and baseline asthma rates to estimate NO 2 -attributable paediatric asthma incidence. We estimated that 1.85 million (95% uncertainty interval [UI] 0.93-2.80 million) new paediatric asthma cases were attributable to NO 2 globally in 2019, two thirds of which occurred in urban areas (1.22 million cases; 95% UI 0.60-1.8 million). The proportion of paediatric asthma incidence that is attributable to NO 2 in urban areas declined from 19.8% (1.22 million attributable cases of 6.14 million total cases) in 2000 to 16.0% (1.24 million attributable cases of 7.73 million total cases) in 2019. Urban attributable fractions dropped in high-income countries (-41%), Latin America and the Caribbean (-16%), central Europe, eastern Europe, and central Asia (-13%), and southeast Asia, east Asia, and Oceania (-6%), and rose in south Asia (+23%), sub-Saharan Africa (+11%), and north Africa and the Middle East (+5%). The contribution of NO 2 concentrations, paediatric population size, and asthma incidence rates to the change in NO 2 -attributable paediatric asthma incidence differed regionally. Despite improvements in some regions, combustion-related NO 2 pollution continues to be an important contributor to paediatric asthma incidence globally, particularly in cities. Mitigating air pollution should be a crucial element of public health strategies for children.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Trends in Carbon, Oxygen, and Nitrogen Core in the X-ray Absorption Spectroscopy of Carbon Nanomaterials: A Guide for the Perplexed

Successful deployment of carbon nanomaterials in many applications, such as sensing, energy storage, and catalysis, relies on the selection, synthesis, and tailoring of the surface properties. Predictive analysis of the behavior is difficult without detailed knowledge of the differences between various carbon nanomaterials and their surface functionalization, thus leaving the selection process to traditional trial-and-error work. The present characterization fills this knowledge gap for carbon nanomaterial surface properties with respect to chemical states and functionalization. We present an overview of the chemical trends that can be extracted from soft X-ray absorption spectroscopy (XAS) spectra on an extended set of nonideal carbon nanomaterials as a function of sp 2 bonded carbon and bond ordering. In particular, the surface chemical state, the presence of long-range order in the carbon matrix, and a qualitative estimation of the amount of oxygen and nitrogen and their respective functional group formation on the material surface, together with the detailed material fabrication parameters, are reported. The results expand our understanding of carbon nanomaterial functionalization, which can support material selection in practice, provided that the specifications of the application are known.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Trends in Formic Acid Electro-Oxidation on Transition Metals Alloyed with Platinum and Palladium

Direct formic acid fuel cells (DFAFCs) have emerged as a promising power source to meet increased demands for alternative energy sources in the transportation and portable energy storage sectors. Furthermore, these fuel cells utilize formic acid (FA), a nontoxic and carbon-neutral fuel when produced from biomass or via CO 2 reduction. Despite the promise of DFAFCs, the best monometallic catalysts, platinum and palladium, are poisoned by CO through the indirect oxidation pathway and require large overpotentials. By alloying Pt and Pd with other metals, we aim to improve both the activity and selectivity of these catalysts. Here, we present a systematic density functional theory (GGA-PW91) study of FA electro-oxidation (FAO) on the (111) facet of bimetallic Pt (Pt 3 M) or Pd (Pd 3 M) catalysts (M = Au, Ag, Cu, Pt, Pd, Ir, Rh, Ru, or Re) to evaluate the catalytic performance of these surfaces. For each surface, we calculate free energy diagrams and onset potentials of three key reaction mechanisms: direct oxidation of FA via carboxyl (COOH), direct oxidation of FA via formate (HCOO), and the indirect oxidation of FA that first forms CO en route to full oxidation to CO 2 . We then display the trends in the form of phase diagrams that compare the activity of the calculated surfaces against regions of high activity using the free energies of adsorbed CO and OH as descriptors, enabling high-throughput screening and design of improved catalysts, particularly those alloying Pt or Pd with Ir, Ru, or Re.

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

Periodic Trends in Adsorption Energies around Single-Atom Alloy Active Sites

Single-atom alloys (SAAs) make up a special class of alloy surface catalysts that offer well-defined, isolated active sites in a more inert metal host. The dopant sites are generally assumed to have little or no influence on the properties of the host metal, and transport of chemical reactants and products to and from the dopant sites is generally assumed to be facile. Here, by performing density functional theory calculations and surface science experiments, we identify a new physical effect on SAA surfaces, whereby adsorption is destabilized by ≤300 meV on host sites within the perimeter of the reactive dopant site. We identify periodic trends for this behavior and demonstrate a zone of exclusion around the reactive sites for a range of adsorbates and combinations of host and dopant metals. Experiments confirm an increased barrier for diffusion of CO toward the dopant on a RhCu SAA. Furthermore, this effect offers new possibilities for understanding and designing active sites with tunable energetic landscapes surrounding them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Predicting Trends in VOC Through Rapid, Multimodal Characterization of State-of-the-Art p-i-n Perovskite Devices

Perovskite photovoltaic technologies are approaching commercial deployment, yet single junction and tandem architectures both still have significant room to improve power conversion efficiency and stability. The ability to perform rapid screening of material quality after altering processing conditions is critical to accelerating the optimization and commercialization of perovskite-based technologies. Currently, researchers utilize a wide range of stand-alone metrology tools to isolate sources of power loss throughout a device stack, which can be slow and labor intensive. Here, we demonstrate the use of a multimodal metrology approach to rapidly determine the maximum achievable and predicted open circuit voltages of >100 perovskite devices during fabrication. Acquisition of these different data is facilitated by combining them into a single integrated measurement platform. We show that these data and automated analysis can be used to rapidly understand and ultimately predict quantitative trends in open circuit voltages of state-of-the-art device architectures. The data and automated analysis workflow presented provides a reliable approach to quickly identify absorber and charge transport layer combinations that can lead to improved open circuit voltages.

14 SOLAR ENERGY↗
DOE OSTI2025

Breaking a Lewis Acidity Trend for Rare Earths by Excited State Quenching

Facilitating different chemistries between the rare earth (RE = La–Lu, Sc, Y) ions is of significant interest for their separations. While the bulk of attention has been on maximizing the small differences in their ground state chemistry, interest is beginning to shift toward the differences in their electronic excited states. In this work, we demonstrate modulation of the photostationary state of an azobenzene derivative, Na 1 , via chelation to a series of RE III DO3A (DO3A = 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid) complexes. The extent of photoisomerization of 1 – follows the trend in REIII Lewis acidity with two exceptions: Sm III and Er III . UV–vis spectroscopy, titration experiments, and computational analysis show that these exceptions are a result of energy transfer rather than differences in ground state chemistry. Finally, these results open a pathway to differentiate REs by new photochemical means.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Spatial Patterns and Trends of Summertime Low Cloudiness for the Pacific Northwest, 1996–2017

Summertime low clouds are common in the Pacific Northwest (PNW), but spatiotemporal patterns have not been characterized. We show the first maps of low cloudiness for the western PNW and North Pacific Ocean using a 22-year satellite-derived record of monthly mean low cloudiness frequency for May through September and supplemented by airport cloud base height observations. Domain-wide cloudiness peaks in midsummer and is strongest over the Pacific. Empirical orthogonal function (EOF) analysis identified four distinct PNW spatiotemporal modes: oceanic, terrestrial highlands, coastal, and northern coastal. There is a statistically significant trend over the 22-year record toward reduced low cloudiness in the terrestrial highlands mode, with strongest declines in May and June; however, this decline is not matched in the corresponding airport records. The coastal mode is partly constrained from moving inland by topographic relief and migrates southward in late summer, retaining higher late-season low cloud frequency than the other areas.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Long-Term Trends for Marine Sulfur Aerosol in the Alaskan Arctic and Relationships With Temperature

Marine aerosol plays a vital role in cloud-aerosol interactions during summer in the Arctic. The recent rise in temperature and decrease in sea ice extent have the potential to impact marine biogenic sources. Compounds like methanesulfonic acid (MSA) and non-sea-salt sulfate (nss-SO 4 2- ), oxidation products of dimethyl sulfide (DMS) emitted by marine primary producers, are likely to increase in concentration. Long-term studies are vital to understand these changes in marine sulfur aerosol and potential interactions with Arctic climate. Samples were collected over three summers at two coastal sites on the North Slope of Alaska (Utqiagvik and Oliktok Point). MSA concentrations followed previously reported seasonal trends, with evidence of high marine primary productivity influencing both sites. When added to an additional data set collected at Utqiagvik, an increase in MSA concentration of + 2.5% per year and an increase in nss-SO 4 2- of + 2.1% per year are observed for the summer season over the 20-year record (1998–2017). This study identifies ambient air temperature as a strong factor for MSA, likely related to a combination of interrelated factors including warmer sea surface temperature, reduced sea ice, and temperature-dependent chemical reactions. Analysis of individual particles at Oliktok Point, within the North Slope of Alaska oil fields, showed evidence of condensation of MSA onto anthropogenic particles, highlighting the connection between marine and oil field emissions and secondary organic aerosol. Finally, this study shows the continued importance of understanding MSA in the Arctic while highlighting the need for further research into its seasonal relationship with organic carbon.

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

Continental-Scale Geographic Trends in Barometric-Pumping Efficiency Potential: A North American Case Study

Barometric pumping is a gas transport mechanism that has important implications for many applications involving subsurface gas seepage processes. Here, this study provides the first continental-scale analysis of barometric-pumping efficiency potential based on meteorology. We quantified the barometric-pumping efficiency potential at 1,257 locations across the continental US and Canada. The results provide continental-scale geographic dependencies of barometric-pumping efficiency potential, indicating a significant correlation with latitude and a nonlinear dependence on longitude. The analysis also indicates that variability in barometric-pumping efficiency potential decreases with distance from the coast and as elevation increases. Locations far from the coastline are more likely to have upper mid-range potentials, while higher elevation locations are more likely to have low potentials. The highest barometric-pumping efficiency potentials are mostly found around the Gulf of St. Lawrence around 50°N. Locations along the Atlantic coast exhibit large-scale variations in potentials with a clear increasing trend with latitude.

58 GEOSCIENCES↗
DOE OSTI2022

Spatial Trends and Drivers of Bedload and Suspended Sediment Fluxes in Global Rivers

Abstract Bedload is notoriously challenging to measure and model; its dynamics, therefore, remains largely unknown in most fluvial systems worldwide. We present results from a global scale bedload flux model as part of the WBMsed modeling framework that well predict the distribution of water discharge, suspended sediment and bedload. The sensitivity of bedload predictions to river slope, particle size, discharge, river width, and suspended sediment were analyzed, showing the model to be most responsive to spatial dynamics in river discharge and slope. The relationship between bedload and total sediment flux is analyzed globally, and for representative longitudinal river profiles (Amazon, Mississippi, and Lena Rivers). The results show that while the proportion of bedload decreases from headwaters to the coasts, there is considerable variability between basins and along river corridors. The topographic and hydrological longitudinal profiles of rivers are shown to be the key drivers of bedload trends, with fluctuations in slope controlling its more local dynamics. Estimates of water and sediment fluxes to global oceans from 2,067 largest river outlets (draining 67% of the global continental area) are provided. Estimated water discharge at 30,579 km 3 /y corresponds well to past estimates; however, sediment flux is higher. Total global particulate load of 17.8 Gt/y is delivered to global oceans, 14.8 Gt/y as washload, 1.1 Gt/y as bedload, and 2.6 Gt/y as suspended bed material. The largest 25 rivers are predicted to transport more than half of the total sediment flux to global oceans.

Cohen, Sagy↗
DOE OSTI2023

Uncertainty in Simulating Twentieth Century West African Precipitation Trends: The Role of Anthropogenic Aerosol Emissions

Anthropogenic aerosol emissions from North America and Europe have strong effects on the decadal variability of the West African monsoon (WAM). Anthropogenic aerosol effective radiative forcing is model dependent, but the impact of such uncertainty on the simulation of long-term WAM variability is unknown. We use an ensemble of simulations with HadGEM3-GC3.1 that span the most recent estimates in simulated anthropogenic aerosol effective radiative forcing. We show that uncertainty in anthropogenic aerosol radiative forcing leads to significant uncertainty at simulating multi-decadal trends in West African precipitation. At the large scale, larger forcing leads to a larger decrease in the interhemispheric temperature gradients, in temperature over both the North Atlantic Ocean and northern Sahara. There are also differences in dynamic changes specific to the WAM (locations of the Saharan heat low and African Easterly Jet, of the strength of the West African westerly jet, and of African Easterly Wave activity). We also assess effects on monsoon precipitation characteristics and temperature. We show that larger aerosol forcing results in a decrease of the number of rainy days and of heavy and extreme precipitation events and warm spells. However, simulated changes in onset and demise dates do not appear to be sensitive to the magnitude of aerosol forcing. Our results demonstrate the importance of reducing the uncertainty in anthropogenic aerosol forcing for understanding and predicting multi-decadal variability in the WAM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Contrasting Climatic Trends of Atmospheric River Occurrences Over East Asia

Atmospheric rivers (ARs) are increasingly recognized as a major driver of hydrological cycles, and are projected to increase around the world under a changing climate. However, the long-term trends of ARs over East Asia (EA) remains less elucidated. Here we fill the gap by developing a longest-ever archive of EA ARs, and examine its role in determining spatiotemporal precipitation variability over EA. We find contrasting changes in AR occurrences, with more frequent ARs in low latitudes but less in high latitudes during the period 1950-2020. The “dipole” pattern of decadal changes in AR occurrences is dictated by atmospheric dynamics (i.e., winds) in the north but thermodynamics (i.e., moisture) in the south. The reduced AR occurrences explain 49% of decreased annual precipitation in northern China, while more AR-related precipitation is observed in southern China. Furthermore, our results provide new insights into regional hydroclimate over EA by connecting it with large-scale weather systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Wind‐Associated Melt Trends and Contrasts Between the Greenland and Antarctic Ice Sheets

Föhn and katabatic winds (downslope winds) can increase ice sheet surface melt, run-off, and ice-shelf vulnerability to hydrofracture and are poorly constrained on the Greenland and Antarctic ice sheets (GIS and AIS). We use regional climate model simulations of the GIS and AIS to quantify and intercompare trends in downslope winds and associated melt since 1960. Results reveal surface melt associated with downslope wind is significant on both the GIS and AIS representing 27.5 ± 4.5% and 19.7 ± 3.8% of total surface melt respectively. Wind-associated melt has decreased 31.8 ± 5.3% on the AIS while total melt decreased 15.4 ± 2.4% due to decreased föhn-induced melt on the Antarctic Peninsula and increasing stratospheric ozone. Wind-associated melt has increased 10.3 ± 2.5% on the GIS, combining with a more positive North Atlantic Oscillation and warmer surface to increase total melt 34 ± 5.8%.

58 GEOSCIENCES↗
DOE OSTI2024

Long-Term Trends in Aerosols, Low Clouds, and Large-Scale Meteorology Over the Western North Atlantic From 2003 to 2020

Here, a continuous decrease in aerosols over the Western North Atlantic Ocean (WNAO) on a decadal timescale provides a long-term benchmark to evaluate how various natural and anthropogenic processes affect the manifestation of aerosol-cloud interactions in this region. Furthermore, the WNAO serves as a natural laboratory with diverse aerosol sources, marine boundary layer clouds more variable than those in marine stratocumulus deck regions, and unique flow regimes established by the Gulf Stream and the semi-permanent Bermuda High. We investigate how satellite-retrieved macrophysical and microphysical properties of low clouds and the surface shortwave irradiance changed from 2003 to 2020, in tandem with this aerosol decrease. The decadal changes in large-scale meteorology related to the North Atlantic Oscillation (NAO) are also examined. We find a reduction in low-cloud optical thickness, accompanied by fewer and larger cloud droplets, yet observe no significant changes in low-cloud fraction and liquid water path. Despite the reduction in low-cloud optical thickness together with aerosol decrease, a corresponding increase in the trends of surface shortwave irradiance, also known as surface brightening, is lacking. This absence of brightening is potentially related to concomitant changes found in large-scale meteorology associated with NAO—Bermuda High strengthening, sea surface warming, and atmospheric moistening— as well as an increase in high-level cloud fraction that can counteract the surface brightening. Ultimately, our findings suggest that spatial patterns of decadal meteorological variability introduce complexities in the surface cloud radiative effect over the WNAO, thereby complicating the isolation and examination of aerosol-cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Internal Climate Variability Obscures Future Freezing Rain Changes Despite Global Warming Trend

Abstract Although numerous studies have projected changes in freezing rain under future climate conditions, the internal variability of freezing rain remains poorly quantified. Here, we introduce a framework utilizing a novel machine‐learning algorithm to diagnose freezing rain in reanalysis and climate model simulations. By employing multivariate quantile mapping, we decompose the projected freezing rain trend into contributions from changes in temperature, relative humidity, and precipitation, which helps separate the forced response from internal climate variability. Our finding reveals a notable decrease in freezing rain occurrence in most areas. Despite a substantial temperature increase, internal variability overshadows climate forcing across a large portion of the eastern United States until about 2050. This insight has implications for practitioners, suggesting that the observed freezing rain frequency climatology continues to provide a relevant baseline for decision‐making in the near term. However, longer‐term design and adaptation plans should consider the projected changes in these regions.

Zhuang, Haoyu (Richard) [Department of Atmospheric↗
DOE OSTI2020

Chemical trends of deep levels in van der Waals semiconductors

Abstract Properties of semiconductors are largely defined by crystal imperfections including native defects. Van der Waals (vdW) semiconductors, a newly emerged class of materials, are no exception: defects exist even in the purest materials and strongly affect their electrical, optical, magnetic, catalytic and sensing properties. However, unlike conventional semiconductors where energy levels of defects are well documented, they are experimentally unknown in even the best studied vdW semiconductors, impeding the understanding and utilization of these materials. Here, we directly evaluate deep levels and their chemical trends in the bandgap of MoS 2 , WS 2 and their alloys by transient spectroscopic study. One of the deep levels is found to follow the conduction band minimum of each host, attributed to the native sulfur vacancy. A switchable, DX center - like deep level has also been identified, whose energy lines up instead on a fixed level across different hosts, explaining a persistent photoconductivity above 400 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Trends in oxygenate/hydrocarbon selectivity for electrochemical CO (2) reduction to C 2 products

The electrochemical conversion of carbon di-/monoxide into commodity chemicals paves a way towards a sustainable society but it also presents one of the great challenges in catalysis. Herein, we present the trends in selectivity towards specific dicarbon oxygenate/hydrocarbon products from carbon monoxide reduction on transition metal catalysts, with special focus on copper. We unveil the distinctive role of electrolyte pH in tuning the dicarbon oxygenate/hydrocarbon selectivity. The understanding is based on density functional theory calculated energetics and microkinetic modeling. We identify the critical reaction steps determining selectivity and relate their transition state energies to two simple descriptors, the carbon and hydroxide binding strengths. The atomistic insight gained enables us to rationalize a number of experimental observations and provides avenues towards the design of selective electrocatalysts for liquid fuel production from carbon di-/monoxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Hydropower capacity factors trending down in the United States

Abstract The United States hydropower fleet has faced increasing environmental and regulatory pressures over the last half century, potentially constraining total generation. Here we show that annual capacity factor has declined at four fifths of United States hydropower plants since 1980, with two thirds of decreasing trends significant at p < 0.05. Results are based on an analysis of annual energy generation totals and nameplate capacities for 610 plants (>5 megawatt), representing 87% of total conventional hydropower capacity in the United States. On aggregate, changes in capacity factor imply a fleetwide, cumulative generation decrease of 23% since 1980 before factoring in capacity upgrades—akin to retiring a Hoover Dam once every two to three years. Changes in water availability explain energy decline in only 21% of plants, highlighting the importance of non-climatic drivers of generation, including deterioration of plant equipment as well as changes to dam operations in support of nonpower objectives.

13 HYDRO ENERGY↗