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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

DEM analysis of the effect of interface transition zone on dynamic splitting tensile behavior of high-strength concrete based on multi-phase model

Highlights: • Crushable aggregates with the real geometry shape are generated by using clump-cluster method. • Flat-Joint Model is adopted as the constitutive law. • The tensile strength is almost not affected by ITZ strength when its strength exceeds 0.8 times that of mortar. • A modified formula that can reflect the functional relationship between the ITZ strength and the TDIF is proposed. The tensile strength is one of the main parameters in the design of concrete structures and has an important influence on the cracking performance and durability of concrete materials. As the weak region in concrete, the strength of the interface transition zone (ITZ) directly affects the dynamic mechanical response of concrete. Meanwhile, considering that the tensile performance of concrete is far weaker than its compressive performance, the study of the strength of ITZ is of great significance to the dynamic tensile fracture characteristics and mechanical properties of concrete. In this paper, a method combining 3D scanning technology and Clump-Cluster was proposed to generate a real geometry shape model of crushable aggregate. On this basis, the 3D discrete element model (DEM) of high-strength concrete was constructed using the Flat-Joint Model (FJM). The effects of the ITZ strength on the failure mode, number of microcracks, tensile strength and strain rate effect of high-strength concrete under strain rates from 0.01/s to 100/s were studied by splitting tensile test. The simulation results indicate that the number of microcracks generated decreases with the increase of ITZ strength, and the proportion of ITZ cracks decreases obviously. When the ITZ strength exceeds the critical value of 0.8 times that of mortar, the tensile strength is almost not affected by ITZ strength. In addition, based on the numerical simulation results, a modified formula that can reflect the functional relationship between the ITZ strength and the dynamic increasing factor of the concrete tensile strength (TDIF) is proposed, and the rationality of the TDIF modified formula is verified.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tea consumption and risk of bladder cancer in the Bladder Cancer Epidemiology and Nutritional Determinants (BLEND) Study: Pooled analysis of 12 international cohort studies

Tea has been shown to be associated with reduced risk of several diseases including cardiovascular diseases, stroke, metabolic syndrome, and obesity. However, the results on the relationship between tea consumption and bladder cancer are conflicting. This research aimed to assess the association between tea consumption and risk of bladder cancer using a pooled analysis of prospective cohort data. Individual data from 532,949 participants in 12 cohort studies, were pooled for analyses. Cox regression models stratified by study centre was used to estimate hazard ratios (HR) and corresponding 95% CIs. Fractional polynomial regression models were used to examine the dose–response relationship. A higher level of tea consumption was associated with lower risk of bladder cancer incidence (compared with no tea consumption: HR = 0.87, 95% C.I. = 0.77–0.98 for low consumption; HR = 0.86, 95% C.I. = 0.77–0.96 for moderate consumption; HR = 0.84, 95% C.I. = 0.75–0.95 for high consumption). When stratified by sex and smoking status, this reduced risk was statistically significant among men and current and former smokers. In addition, dose–response analyses showed a lower bladder cancer risk with increment of 100 ml of tea consumption per day (HR-increment = 0.97; 95% CI = 0.96–0.98). A similar inverse association was found among males, current and former smokers while never smokers and females showed non-significant results, suggesting potential sex-dependent effect. Higher consumption of tea is associated with reduced risk of bladder cancer with potential interaction with sex and smoking status. Further studies are needed to clarify the mechanisms for a protective effect of tea (e.g. inhibition of the survival and proliferation of cancer cells and anti-inflammatory mechanisms) and its interaction with smoking and sex.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Boosting efficiency and reducing graph reliance: Basis adaptation integration in Bayesian multi-fidelity networks

The computational cost of high-fidelity numerical models makes outer-loop analysis, which requires repeated interrogation of the model such as uncertainty quantification, computationally demanding. Multi-fidelity methods, which construct a surrogate model using data from an ensemble of models of varying cost and accuracy, can substantially reduce the cost of outer-loop analysis. However, these methods can be difficult to apply when the model ensemble does not admit a clear hierarchy a priori and the correlations between models are low. Consequently, in this paper, we present a multi-fidelity method that leverages dimension reduction to enhance the correlation between models, thereby reducing the amount of data needed to train a surrogate from an unordered ensemble of models. Our method utilizes basis adaptation to build low-dimensional polynomial chaos expansions of each model and employs Multi-fidelity Networks to encode the relationships among models. We show that the resulting method exhibit two notable advantages over its counterpart: (1) enhanced accuracy (both reduced bias and variance); and (2) reduced dependency on the graph structure encoding relationships among models. We demonstrate the approach on an analytical test problem and a challenging finite element model for a spent nuclear fuel. Our method produces a surrogate model that is significantly more accurate than either a single-fidelity surrogate or a multi-fidelity surrogate constructed without basis adaptation.

42 ENGINEERING↗
DOE OSTI2021

Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure–property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of data generation has resulted in a data landscape that is both scarcely populated and of dubious quality. Data-driven techniques starting to overcome these limitations include the use of consensus across functionals in density functional theory, the development of new functionals or accelerated electronic structure theories, and the detection of where computationally demanding methods are most necessary. When properties cannot be reliably simulated, large experimental data sets can be used to train ML models. In the absence of manual curation, increasingly sophisticated natural language processing and automated image analysis are making it possible to learn structure–property relationships from the literature. Finally, models trained on these data sets will improve as they incorporate community feedback.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Pressure effects on reactivity and extinction of n -dodecane diffusion cool flame

Low-temperature combustion at high pressure has gained increasing interest owing to the growing demand for clean and efficient propulsion and energy systems. In particular, cool flame structure, extinction limits, and fuel reactivities at high pressure are critical in affecting the engine performance at near-limit conditions. Here, this paper investigates the effects of pressure on the cool flame extinction limit, structure, radical index, reactivity, and oxygen concentration dependence by experiments, analysis, and modeling. A large n-alkane, namely n-dodecane (n C 12 H 26 ), is selected to study its diffusion cool flame dynamics and reactivity in a high-pressure counterflow burner up to 10 atm. The experimental results show that higher pressure increases the cool flame extinction strain rates, and that the pressure-weighted extinction strain rate (aP) is proportional to the square of pressure, P 2 . A scaling analysis explains the relationship between the dependence of flame structure, heat release rate, and pressure-weighted cool flame strain rate on pressure. Furthermore, radical indexes at different pressures are measured by isolating the thermal and transport effects from the chemical contribution to diffusion cool flame extinction. The radical index clearly shows that the low-temperature reactivity increases with pressure. In addition, due to the critical role of multiple oxygen addition reactions in low-temperature chemistry, the relationship between the cool flame extinction limit and the oxygen concentration is explored. It is found that the cool flame extinction limits are proportional to the n th power of the oxygen concentration, [O 2 ] n , and increasing pressure leads to stronger extinction limit dependence (larger n) on the oxygen concentration. The present experiment and detailed kinetic analysis show clearly that increasing pressure promotes the low-temperature chemistry including the oxygen addition reactions, while the scaling analysis explains well the experimental results.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Insights into the soft brittle-to-ductile transition from discrete dislocation dynamics

The Brittle-to-ductile transition (BDT) in body centered cubic metals exhibits a soft transition wherein the fracture toughness gradually rises to before the onset of ductility. The resultant brittle-to-ductile transition temperature can be described with an Arrhenius relationship whose activation energy is related to plasticity in the material. To provide further insight into the nature of the BDTT, in this work we utilized a discrete dislo- cation dynamics model with a crack to simulate the BDT and how it depends on the thermally activated nature of plasticity. The interrelationship between the BDT activation energy and the dislocation mobility parameters were determined via the calculation of first order sensitivity coefficients. This analysis allows us to demonstrate that the activation energy for the BDT is directly related to the activation energy for plasticity through an effective stress that defines this relationship. This effective stress physically is the average stress on the dislocations that move out of the crack. Lastly, we are able to show that this effective stress is dictated by the low temperature fracture toughness or cleave energy of the material and the source position, the latter of which can be affected by processing. Collectively, these results provide new insight into what controls the thermal activation of the BDT and what are the important parameters to control it.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Processing and mechanical characterization of short carbon fiber-reinforced epoxy composites for material extrusion additive manufacturing

Fiber-reinforced polymer composites have been extensively utilized in recent years as feedstock materials for material extrusion additive manufacturing (AM) processes to improve strength, stiffness, and functionality of printed parts over unfilled printed polymers. However, the widespread adoption of AM of fiber-reinforced polymer composites requires a deeper understanding of the process-structure-property relationships in printed components, and such relationships are not well understood yet. Fiber length is critically important to the mechanical performance of short fiber composites, but very few studies to-date have focused on how the fiber length distribution (FLD) evolves during processing of composite feedstocks and how this evolution affects printing behavior and mechanical properties in 3D-printed composites. Here, FLD is measured for carbon fiber reinforced epoxy composites over a wide range of ink compositions and shear mixing times, and the distributions are fit with a Weibull-type distribution function. The effects of FLD on the tradeoff between ink processability, ink rheology, printing behavior and mechanical properties are investigated. Furthermore, the effects of printing parameters (nozzle size and print speed) on mechanical anisotropy and fiber orientation distribution (FOD) in printed composites are explored. Mechanical properties of printed composites are characterized via 3 pt-flexural testing, and microstructure is investigated using optical and scanning electron microscopy (SEM), and x-ray computed tomography. Finally, the fitted Weibull parameters are fed into a composite model that incorporates FLD and FOD, and model predictions are found to be in excellent agreement with experimental observations.

3D printing↗
DOE OSTI2022

Sensitivity of the strength and toughness of concrete to the properties of the interfacial transition zone

We report Civil infrastructure is made primarily of concrete structures or components and therefore understanding durability and fracture behavior of concrete is of utmost importance. Concrete contains an interfacial transition zone (ITZ), a porous region surrounding the aggregates, that is often considered to be the weakest region in the concrete. The ITZ is poorly characterized and property estimates for the ITZ differ considerably. In this simulation study, representative concrete mesostructures are produced by packing coarse aggregates with realistic geometries into a mortar matrix. A meshless numerical method, peridynamics, is utilized to simulate the mechanical response including fracture under uniaxial compression and tension. The sensitivity of the stiffness and fracture toughness of the samples to the ITZ properties is computed, showing strong relationships between the ITZ properties and the effective modulus and effective yield strength of the concrete. These results provides insight into the influence of the poorly characterized ITZ on the stiffness and strength of concrete. This work showcases the applicability of peridynamics to concrete systems, matching experimental strength and modulus values. Additionally, relationships between the ITZ’s mechanical properties and the overall concrete strength and stiffness are presented to enable future design decisions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Plastic homogeneity in nanoscale heterostructured binary and multicomponent metallic eutectics: An overview

Heterostructured materials comprised of relatively soft/hard disparate phases typically exhibit composite strengthening but lack plastic deformability at ambient temperatures. However, heterostructured systems comprised of nanoscale phases can simultaneously enhance yield strength and strain hardening, thereby promoting uniform distribution of plastic flow. In this review, the atomic-scale deformation mechanisms in model systems of eutectic alloys, Al-Al 2 Cu and Al-Si, refined to nanoscales via laser rapid solidification are discussed, and compared with literature on multi-component (high entropy) eutectics such as Ni-Al-Fe-based with Cr and/or Co additions. The nano-lamellar Al-Al 2 Cu structures exhibit unit defect mechanisms not reported in monolithic Al 2 Cu intermetallic: localized shear on {0 1 1} and shear-induced faults on {1 2 1} planes, constrained by closely-spaced dislocation arrays in Al confined by Al/Al 2 Cu interfaces. The unexpected plasticity mechanisms are enabled by slip continuity in nanoscale Al-Al 2 Cu eutectics associated with the orientation relationship and interface habit planes. In nano-fibrous Al-Si eutectic, tensile ductility at strength approaching 600 MPa is observed resulting from dislocation plasticity in the nano-Al channels and cracking in Si nanofibers. Molecular dynamics simulations show that Al dislocations easily cross-slip (screw) or climb (edge) along Al-Si interfaces, making slip transmission difficult. The propagation of nano-cracks is suppressed by surrounding strain hardening Al, retaining good ductility of the sample, in spite of lack of direct slip transmission. Finally, the critical unit mechanisms of slip transmission and interface-enabled plasticity observed in nanoscale eutectic binary systems can also explain the strength-ductility relationship in multi-component eutectics and homogeneously distributed plastic flow with increasing microstructural heterogeneity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Differing behavioral changes in crayfish and bluegill under short- and long-chain PFAS exposures: Field study in Northern Michigan, USA

The emergent contaminant family, per- and poly-fluorinated alkyl substances (PFAS) has gained research attention due to their widespread detection and stability within the environment. Despite the growing amount of research on perfluorooctanesulfonic acid (PFOS) and perfluoro-n-octanoic acid (PFOA) in aquatic organisms, investigations detailing behavioral and physiological effects of aquatic organisms exposed to a mixture of PFAS analytes in the wild have been limited. The objective of this study was to evaluate the potential behavioral and histological effects of environmental exposure to PFAS compounds within multiple trophic levels of aquatic ecosystems. The current study investigates effects of environmentally relevant PFAS concentration exposures in crayfish (Faxonius immunis, F. rusticus, F. virilis) and bluegill (Lepomis macrochirus) sourced from four water bodies in Northern Michigan. Antipredator response and foraging behavioral assays were used to investigate potential effects on crayfish; a swimming speed behavioral assay and liver and gill histology analysis were used to investigate potential effects on fish. Linear mixed model and multiple regression analyses resulted in significant relationships between tissue accumulation levels of long chain PFAS compounds and crayfish foraging and fish critical swimming speed responses. Crayfish foraging decreased and fish critical swim speeds increased with PFAS exposure which may lead to energetic and population concerns. Antipredator response in crayfish and liver and gill histology in fish were not significantly related to PFAS tissue or water concentrations. The sensitivity of crayfish and bluegill behavior contributes to the growing body of research regarding the differential toxicity of short-chain and long-chain PFAS compounds. The sensitivity of some aquatic organism behaviors to PFAS accumulated in tissue may have implications for PFAS transfer and alterations to ecosystem functioning; based on the results of this field study, further laboratory research is recommended to further evaluate these relationships.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Evaluating dynamic thermal performance of building envelope components using small-scale calibrated hot box tests

The hot box test method has been applied to evaluate both the steady-state (U-value) and dynamic thermal properties of building envelopes. However, the high construction cost of full-scale hot box apparatus and the testing time required (usually several days) may prevent its wider adoption. To overcome the limitations of full-scale hot box tests, here we propose a novel method to evaluate the dynamic thermal performance of building envelope components using a small-scale calibrated hot box and scaled-down specimen. In this paper, the scaling relationships of thermal properties evaluated using a full-size specimen and a scaled-down specimen are established based on the Laplace transform of the heat transfer equations. In addition, dynamic thermal properties obtained from scaled-down experimental tests are compared to the values calculated by the EN ISO13768 (ISO) method. A small-scale hot box with a 355 mm × 355 mm metering area was constructed and calibrated to validate the correlations. Three scaled-down concrete sandwich wall panels were then tested and the scaling relationship was cross-validated using the experimental results, finite difference (FD) simulations, and the ISO method. The results indicate that the dynamic thermal properties obtained from a scaled-down hot box test can be correlated to its full-size counterpart when certain conditions are met. The scaled-down hot box test is demonstrated to be an effective yet economical alternative to a full-scale test with significantly reduced experimentation cost and turn-around time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Experimental investigation on thermal inertia characterization of commercial buildings for demand response

Characterizing the thermal inertia of commercial buildings is of great importance in quantifying demand flexibility. Experimental tests can be used to investigate the thermal inertia of commercial buildings. However, existing studies tend to be qualitative and have limited scope. In this study, a comprehensive field test has been performed to assess the thermal inertia of commercial buildings. In this field test, six buildings are selected with different sizes, vintages, and types of heating, ventilation, and air conditioning (HVAC) systems to represent the majority of the U.S. commercial building stock. We quantify the thermal inertia with building operation data collected under various thermostat excitation signals. We then studied the relationship between thermal inertia and intrinsic properties, such as floor area, HVAC system, etc., as well as the operation condition indicators such as outdoor air temperature, zone temperature, and occupancy. The testing results indicate that the median values of the normalized charge response time and the normalized discharge response time of the five buildings are 1~5 hr/ °C and -5~-1 hr/ °C, respectively. The results also show that the thermal inertia of commercial buildings may be sensitive to the HVAC system type but not the floor area or location of zones, i.e., core vs. perimeter. Finally, our results suggest that the relationships between the charging/discharging normalized response time and the zone/outdoor temperature may vary among zones and be highly nonlinear.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

An experimental study on round-trip efficiency of a preheating control with a medium office building

The interactions between building energy efficiency and demand response (DR) with buildings may complicate their impacts on the electricity grid and buildings, yet those interactions are not well understood. This work fills this gap by presenting an experimental study that quantifies the effects of DR on building energy efficiency. Unlike existing studies, this work 1) investigates the uncertainty levels when assessing the effects of DR; 2) studies the impact of rooftop heat pumps with direct expansion refrigerant-to-air coils on the round-trip efficiency. Specifically, we considered a medium office building (~1860 m 2 ), which is served by rooftop units, located in eastern Washington State. We performed preheating control tests during typical heating days in the year 2022 and compared the building’s energy consumption during the testing days to that during normal operation days under similar weather conditions. To understand how well those normal operation days represent the baseline for the assessment, the relationship between the energy performance of this building and weather conditions was also studied. Experimental results reveal that the round-trip efficiency (i.e., the ratio of discharging energy output from the building to charging energy input into the building) was between 0.16 and 0.92. The results show that significant energy loss may occur during the preheating process. Finally, it also suggests a significant correlation between the energy efficiency of the studied building under the preheating control and the outdoor temperature; and a highly nonlinear relationship between the zone temperature changing rate and the weather condition.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Futures for electrochromic windows on high performance houses in arid, cold climates

This study investigates high performance electrochromic windows used on a passive house and residential dwelling to IECC 2021 (i.e., IECC dwelling). In the lab, the electrochromic film switches transmitted solar heat gain coefficient (SHGC) from 0.09 to 0.7 and visible transmittance from 0.15 to 0.82 with power consumption of 1.23 W/m 2 during switching times less than 3 minutes. We extrapolate these results to a window assembly. Building energy models of the houses were evaluated in Santa Fe, New Mexico. A Monte Carlo analysis for 2020, 2040, 2060, and 2080 was conducted for Shared Socioeconomic Pathways 2-4.5, 3-7.0, and 5-8.5. Cases with and without the electrochromic windows and with and without electricity were used to determine energy use intensity and hours beyond thermal safety thresholds. The passive house showed 1.3-3.1% mean energy savings and the IECC dwelling 4.4-5.1% with electrochromic efficiency benefits growing into the future for both cases. Even so, overall savings decrease into the future for the passive house, due to growth in cooling load being dominant, conversely overall energy savings increase into the future for the IECC dwelling due to heating loads being dominant. For thermal resilience, the passive house exhibited a mean percent decrease of 0.02-0.31% hours in the extreme caution (i.e., > 32.2 °C, ≤ 39.4 °C) range while the IECC dwelling exhibited 0.38-4.38%. The study therefore shows that electrochromic windows will have smaller benefits for the passive house in comparison to the IECC dwelling. The relationship between electrochromic windows is shown to have a complex relationship between house efficiency and climate change by these results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Microfracture-pore structure characterization and water-rock interaction in three lithofacies of the Lower Eagle Ford Formation

The microfracture-pore structures and water-rock interactions of eight samples of three typical lithofacies (three limestone, three wackestone, and two mudstone) from the Lower Eagle Ford Formation have been investigated using an integrated methodology. The methods used were X-ray diffraction (XRD), total organic carbon (TOC) content, pyrolysis, thin-section petrography, scanning electron microscopy (SEM), mercury intrusion porosimetry (MIP), spontaneous water imbibition, and water vapor & nitrogen physisorption. Petrophysical properties such as organic richness, maturity, mineral composition, types and patterns of microfractures and pores, porosity, pore-throat size distribution, pore size distribution, pore connectivity, water adsorption and desorption behavior were determined from these methods, and the results compared among the three lithofacies. For example, the three limestone EAS samples and three wackestone DM samples show a low porosity range from 2.02–3.35%, whereas the two mudstone VRU samples exhibit a much large average porosity of 11.7% by MIP results. Nitrogen physisorption results show that pore size distributions have a good similarity in N2 adsorption volume for the samples with similar lithology. Microfractures are morphologically divided into seven types, with their definitions & pictorial examples presented and possible formation mechanisms proposed. In addition, the water vapor physisorption behavior and their controlling factors are discussed. Here, the water adsorption capacity shows a positive relationship (R 2 = 0.90) with clay content and a negative relationship (R 2 = 0.99) with carbonate content. In general, this integrated study of microfracture-pore structure characterization and water-rock interaction provides some insights of water vapor adsorption behavior in different lithofacies and whether microfractures could be an important pathway for fluid flow.

58 GEOSCIENCES↗
DOE OSTI2021

Multi-decadal trends in mercury and methylmercury concentrations in the brown watersnake (Nerodia taxispilota)

Mercury (Hg) is an environmental contaminant that poses a threat to aquatic systems globally. Temporal evaluations of Hg contamination have increased in recent years, with studies focusing on how anthropogenic activities impact Hg bioavailability in a variety of aquatic systems. While it is common for these studies and ecological risk assessments to evaluate Hg bioaccumulation and effects in wildlife, there is a paucity of information regarding Hg dynamics in reptiles. The goal of this study was to investigate temporal patterns in total mercury (THg) and methylmercury (MeHg) concentrations across a 36-year period, as well as evaluate relationships among and between destructive (kidney, liver, muscle) and non-destructive (blood, tail) tissue types in a common watersnake species. To accomplish this, we measured THg and MeHg concentrations in multiple tissues from brown watersnakes (Nerodia taxispilota) collected from Steel Creek on the Savannah River Site (SRS; Aiken, SC, USA) from two time periods (1983–1986 and 2019). We discovered significant and positive relationships between tail tips and destructive tissues. In both time periods, THg concentrations varied significantly by tissue type, and destructive tissues exhibited higher but predictable THg values relative to tail tissue. Methylmercury concentrations did not differ among tissues from the 1980s but was significantly higher in muscle compared to other tissues from snakes collected in 2019. Percent MeHg of THg in N. taxispilota tissues mirrored patterns reported in other reptiles, although the range of % MeHg in liver and kidney differed between time periods. Both THg and MeHg concentrations in N. taxispilota declined significantly from the 1980s to 2019, with average values 1.6 to 4-fold lower in contemporary samples. Overall, our data add further evidence to the utility of watersnakes to monitor Hg pollution in aquatic environments and suggest attenuation of this contaminant in watersnakes in our study system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Unique impacts of strong and westward-extended western Pacific subtropical high on ozone pollution over eastern China

As a subtropical anticyclonic high-pressure system that typically forms over the northwestern Pacific Ocean in summer, the Western Pacific subtropical high (WPSH) affects meteorological conditions and ozone pollution in China. The relationship between maximum daily 8-h average ozone (MDA8 O 3 ) concentrations and the extremely strong and westward-extended WPSH occurred in 2022 is investigated using observations, reanalysis data and GEOS-Chem model simulations. The intensity of WPSH has a significant positive correlation with MDA8 O3 over southern China during July-August in 2022, with a correlation coefficient of +0.44, but the correlation is negative (–0.40) in northern China. During the strong WPSH days, MDA8 O 3 increased by 16.5µgm -3 (16.4% relative to July-August average) over southern China and decreased by 19.0µgm -3 (14.5%) in northern China compared to the weak WPSH days. The unique dipole pattern in the relationship between ozone levels and the WPSH in 2022 exhibited a contrast to that during 2015–2021. The difference is primarily due to the extremely strong WPSH intensity and its unusual westward expansion in 2022. In this case, an anomalous anticyclone at 500 hPa dominates over southern China, which creates conditions conducive for ozone formation and accumulation. The anticyclone weakened horizontal winds and reduced the dispersion of ozone, alongside a high temperature and low relative humidity, which favored the chemical production of ozone. In contrast, abnormal northerly winds enhanced ozone diffusion in northern China and the low temperature reduced ozone chemical production. Here, this study reveals the mechanism for the significant impact of strong and westward-extended WPSH on ozone concentrations over China, emphasizing the role of the WPSH location in modulating meteorology and ozone levels.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Organic sulfur fluxes and geomorphic control of sulfur isotope ratios in rivers

Pyrite oxidation plays a critical role in the relationship between weathering and climate, and its impact on the global carbon cycle has previously been constrained through inversion models utilizing observations of river sulfate ($SO^{2–}_{4}$) and its 34 S/ 32 S isotope ratio (δ 34 S SO4 ). However, measurements from some rivers have suggested that SSO4 can be substantially impacted by processes such as microbial sulfate reduction and/or sulfur assimilation and cycling, rather than simply reflecting a weighted mixture of lithologic sulfur sources. To study the prevalence and controls on $SO^{2–}_{4}$ transformations, in this study we measured dissolved major element concentrations and δ 34 S SO4 in river water samples from throughout western Iceland. Our analyses focused on samples from a small catchment hosting the Efri Haukadalsá river, a system with relatively uniform and isotopically constrained basaltic bedrock. We also measured sediment δ 34 S and sulfur speciation using sulfur K-edge X-ray absorption spectroscopy on sediment and vegetation samples from this catchment. Values of dissolved δ 34 S SO4 in the Efri Haukadalsá ranged from 2.5‰ to 23.7‰ and had a linear relationship with Cl – /$SO^{2–}_{4}$ ratios, indicating that $SO^{2–}_{4}$ predominantly derived from basalt weathering and meteoric precipitation. The lower δ 34 S SO4 values were found in fluvial valleys with V-shaped cross sections, while higher values of δ 34 S SO4 occurred in U-shaped, glacially eroded valleys with thick alluvial fills blanketing the valley floor. Spectroscopic observations identified organic sulfur phases in suspended river sediment, floodplain deposits, and vegetation. Mass balance calculations quantified the organic sulfur flux as less than 10% of $SO^{2–}_{4}$ export, and sediment δ 34 S values were comparable to river δ 34 S SO4 . We interpreted these isotopic and chemical patterns as reflecting differences in the availability of unweathered bedrock across the Efri Haukadalsá catchment, with V-shaped valleys having greater access to fresh sulfide-bearing minerals than alluviated U-shaped valleys; this interpretation is in contrast to one in which the elevated δ 34 S SO4 values reflect fractionation during sulfur transformations along alluvial reaches. These results validated the application of river inversion models for constraining weathering fluxes and affirmed that pyrite oxidation globally, even in the presence of river sulfur cycling, modulates the abundance of atmospheric carbon dioxide.

54 ENVIRONMENTAL SCIENCES↗