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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

PSInet: a new global water potential network

Abstract Given the pressing challenges posed by climate change, it is crucial to develop a deeper understanding of the impacts of escalating drought and heat stress on terrestrial ecosystems and the vital services they offer. Soil and plant water potential play a pivotal role in governing the dynamics of water within ecosystems and exert direct control over plant function and mortality risk during periods of ecological stress. However, existing observations of water potential suffer from significant limitations, including their sporadic and discontinuous nature, inconsistent representation of relevant spatio-temporal scales and numerous methodological challenges. These limitations hinder the comprehensive and synthetic research needed to enhance our conceptual understanding and predictive models of plant function and survival under limited moisture availability. In this article, we present PSInet (PSI—for the Greek letter Ψ used to denote water potential), a novel collaborative network of researchers and data, designed to bridge the current critical information gap in water potential data. The primary objectives of PSInet are as follows. (i) Establishing the first openly accessible global database for time series of plant and soil water potential measurements, while providing important linkages with other relevant observation networks. (ii) Fostering an inclusive and diverse collaborative environment for all scientists studying water potential in various stages of their careers. (iii) Standardizing methodologies, processing and interpretation of water potential data through the engagement of a global community of scientists, facilitated by the dissemination of standardized protocols, best practices and early career training opportunities. (iv) Facilitating the use of the PSInet database for synthesizing knowledge and addressing prominent gaps in our understanding of plants’ physiological responses to various environmental stressors. The PSInet initiative is integral to meeting the fundamental research challenge of discerning which plant species will thrive and which will be vulnerable in a world undergoing rapid warming and increasing aridification.

Forestry↗
DOE OSTI2020

Effect of water velocity and temperature on energy use, behaviour and mortality of pallid sturgeon Scaphirhynchus albus larvae

Abstract Natural reproduction of pallid sturgeon Scaphirhynchus albus has been limited for decades and a recruitment bottleneck is hypothesized to occur during the larval stage of development. In this study, we evaluated the effects of water velocity and temperature on the swimming activity, energy use, settling behaviour and mortality of endogenously feeding larvae. The swimming activity of drifting sturgeon larvae ( i.e. , fish exhibiting negative rheotaxis) increased at low water velocity. In subsequent experiments, we observed greater energy depletion and resultant mortality of larvae in no‐flow environments (0 cm s −1 ) compared to tanks with water velocity ranging from 3.5 to 8.3 cm s −1 . The growth rate of drifting larvae was positively related to water temperature (18.7–23.3°C), but reduced growth rate at low water temperature (18.7°C) resulted in protracted development that extended average drift duration by ~4 days compared to larvae reared at 23.3°C. This study provides evidence that cooler summer water temperatures, characteristic of present‐day conditions in the upper Missouri River, can reduce larval development and extend both the drift duration and distance requirements of S. albus . Moreover, if dispersed into low velocity environments, such as in reservoir headwaters, larvae may experience increased mortality owing to a mismatch between early life stage drift requirements and habitat conditions in the river. Manipulation of water releases to increase seasonal water temperature below dams may aid survival of S. albus larvae by shortening the time and distance spent drifting.

Mrnak, Joseph T.↗
DOE OSTI2020

Direct observation of anisotropic growth of water films on minerals driven by defects and surface tension

Knowledge of the occurrences of water films on minerals is critical for global biogeochemical and atmospheric processes, including element cycling and ice nucleation. The underlying mechanisms controlling water film growth are, however, misunderstood. Using infrared nanospectroscopy, amplitude-modulated atomic force microscopy, and molecular simulations, we show how water films grow from water vapor on hydrophilic mineral nanoparticles. We imaged films with up to four water layers that grow anisotropically over a single face. Growth usually begins from the near edges of a face where defects preferentially capture water vapor. Thicker films produced by condensation cooling completely engulf nanoparticles and form thicker menisci over defects. The high surface tension of water smooths film surfaces and produces films of inhomogeneous thickness. Nanoscale topography and film surface energy thereby control anisotropic distributions and thicknesses of water films on hydrophilic mineral nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Altered morphology and diffusivity of water confined in MXenes: Machine learning–accelerated computations combined with experiments

Nanoconfined water exhibits unique properties compared to bulk water due to limited quantities, frustrated hydrogen bonding, and surface interactions, which are fundamental for energy storage and transport applications. We integrate machine learning–accelerated ab initio molecular dynamics with x-ray diffraction (XRD) and inelastic neutron scattering (INS) to systematically analyze the thermodynamic and dynamic behavior of water confined between functionalized (-F, -O, and -OH) two-dimensional (2D) Ti 3 C 2 T x MXene layers. As water intercalates between layers, the interlayer spacing exhibits layer-dependent staging characteristics. The water polarization can be flipped by the count and morphology of intercalated molecules interacting with MXene surface groups, resulting in varying electrostatic potential profiles. On the basis of interfacial electrostatic potential, hydrogen bond lifetime, and molecular orientation, we establish a linear combination of exponential model describing water diffusivity. These computational insights align well with experimental x-ray and neutron measurements, suggesting strategies for tuning water morphology and transport by tailoring MXene surface chemistry and water content for electrochemical energy storage and nanofluidic applications.

Tang, Jiawei [Southeast Univ., Nanjing (China)] (O↗
DOE OSTI2020

Ionomer Optimization for Water Uptake and Swelling in Anion Exchange Membrane Electrolyzer: Oxygen Evolution Electrode

Water electrolysis using an anion conductive, solid polymer electrolyte is an attractive method for point-of-use hydrogen production. Recent advances in catalysts and anion exchange membranes (AEM) have made alkaline devices increasingly competitive with their acidic counterparts. However, less attention has been paid to the anion conductive ionomers (ACI) used in the fabrication of electrodes for AEM electrolyzers. The ACI contributes to ion conduction between the catalyst and bulk electrolyte and serves as a binder for adhering the catalyst to the gas diffusion layer and AEM. Ionic conductivity, water uptake and ionomer swelling are critical properties for electrode performance. High ion exchange capacity (IEC) in the ionomer is desired for reduced electrode resistance, however, it can lead to excess water uptake (WU) and disruptive ACI swelling. In this study, a series of poly(norbornene)-based ionomers were synthesized, characterized and used to fabricate oxygen evolving anodes for low-temperature AEM water electrolysis. The IEC of the ionomers (0 to 4.73 meq g −1 ) was adjusted by controlling the ratio of ion conducting to non-ion conducting norbornene monomers in the ACI tetrablock copolymers. Low conductivity ionomers are shown to yield the best-performing oxygen evolution electrodes, in the absence of ACI polymer cross-linking because they do not experience excessive water swelling. Light cross-linking within the anode ACI was used as a means to independently lower WU of the ionomer without compromising ionic conductivity. This control over water swelling allows higher ionic conductivity within the ACI to be used in water-fed electrolyzer applications. Other methods of water management were compared including the use of hydrophobic additives and adjustment of the ionomer concentration in the electrode. As a result, it was shown that the cell performance greatly benefits from a highly conductive ionomer in the oxygen evolution reaction electrode if the WU is managed.

08 HYDROGEN↗
DOE OSTI2023

Challenges in correlating oxygen stable isotope ratios of hydrates on uranium ore concentrates to process waters

Exchange of oxygen stable isotopes (δ 18 O values) between precipitation waters and uranium oxides is governed by thermodynamics or kinetics. It has been assumed that meteoric waters can be related to precipitation waters in uranium ore concentrates and their calcination and reduced uranium oxide products. With this assumption, the δ 18 O values of uranium materials could provide forensic signatures that identify the production history and geolocation of nuclear materials. To further exploit the potential of δ 18 O values in nuclear material analysis, this study examines the oxygen stable isotope exchange in two UOCs, magnesium diuranate (MDU) and sodium diuranate (SDU). MDU and SDU were synthesized from solutions of uranyl nitrate hexahydrate using precipitation waters with unique oxygen isotope compositions. The structures of the MDU and SDU were analyzed using powder X-ray diffraction (p-XRD) and thermal mass loss curves, while the δ 18 O values of waters generated during thermal decomposition were analyzed using a thermogravimetric analyzer coupled to an isotope ratio infrared spectrometer (TGA-IRIS). By p-XRD, the MDU was uniform and amorphous across all syntheses with residual crystalline material incorporated as a minor component. Combined with the TGA results, all of the MDU is likely amorphous MgU 2 O 7 ·3H 2 O with MgO impurities present throughout. In contrast, the SDU synthesis resulted in multiple phases with many samples exhibiting crystalline phases including a combination of Na(UO 2 ) 4 O 2 (OH) 5 ·5H 2 O and Na 2 (UO2) 6 O 4 (OH) 6 ·8H 2 O with a Na 2 U 2 O 7 minor phase. A small fraction of the SDU samples were amorphous with no crystalline XRD peaks observed. Mass loss curves of the SDU samples revealed that the amorphous samples contained inclusions of similar crystalline phases compared to the crystalline materials. The uniformity of the MDU samples enabled highly reproducible measurements of δ 18 O values of the water vapor yielded for two dehydration events at 170 °C and 500 °C. In contrast, the multiphase composition of the SDU samples resulted in poor reproducibility in δ 18 O values. In conclusion, neither system revealed any correlation between the δ 18 O values of precipitation water, and the waters released during dehydration of the UOCs.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Modeling Contact Angle vs. Temperature for the Quartz-Water-Decane System

Innovative approaches are needed to improve the efficiency of oil recovery technologies to meet the growing demands of fossil-fuel based energy consumption. Enhanced oil recovery (EOR) methods such as low-salinity waterflooding and chemically tuned waterflooding aim to optimize the reservoir’s wetting properties, detaching oil globules from rock surfaces and allowing easier oil flow through pore throats. This wetting behavior is commonly quantified by contact angle measurements of the rock-oil-brine interface, which have been thoroughly investigated and theorized for many systems at ambient temperatures and pressures. However, few studies exist for extending contact angle theories away from ambient conditions. In this paper, we model the contact angles of a quartz-water-decane system at elevated temperatures using the surface tension component (STC) approach. Temperature-dependent van der Waals [Lifshitz-van der Waals (LW)] interactions and hydrogen-bonding (acid-base) interactions were calculated and are incorporated into the model for the quartz-water-decane interface. Additionally, the Hough and White procedure was used to create temperature-dependent dielectric functions of quartz, water, and normal decane for calculations of Hamaker coefficients. Hamaker coefficients calculated this way are highly linear with temperature and agree well with Israelachvili’s approximation. The acid-base interactions likely contribute the most to system wettability changes. Resulting contact angles of the quartz-water-decane system shift from water-wet (16°) to slightly water-wet (57.4°) as temperature increases. The model was also successfully verified for the quartz-air-water system. Our results can be used in future studies to determine optimal injected water compositions for specific rock-oil-brine and other systems with consideration of reservoir temperature.

02 PETROLEUM↗
DOE OSTI2020

Design and Analysis of a Double Wall, Water Cooled Window for Accelerator Based Mo-99 Production

The electron accelerator based Mo-99 production technique requires the use of Rhodotrons to generate 38 MeV, 6.32 mA pulsed electron beams. The introduction of the pulsed beam structure has introduced fatigue concerns in the vacuum-helium windows that did not exist previously for electron beam production via linear accelerators. Previous analysis has shown that temperature fluctuations of approximately 100°C above and below the steady state operating temperature of ~500°C will occur within the windows. A water cooled window will eliminate this concern by reducing the primary mechanical stress due to the 300-psig helium pressure load as well as the secondary thermally induced stress. Although a water cooled window was considered years ago, the complexities of adding an additional water line was unattractive until now. A double wall, water cooled window has been designed and analyzed for this reason. The water cooled window design is shown to decrease the helium-side window temperature to as low as 125°C, while the vacuum-side window is maintained at 161°C at a water flow rate of 3.2 GPM. These low steady state temperatures reduce the thermal stress of the helium-side window significantly. Also, the primary mechanical stress has been reduced by roughly 50% due to the reduced pressure gradient across the helium-side window (150-psig water and 300-psig helium). Considering a Mo-99 production loss of roughly 1%, the water cooled window is a drastic improvement over the previous helium cooled designs and should be greatly considered for future upgrades and redesign.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Energy Efficient Waste Heat Coupled Forward Osmosis for Effluent Water Management at Coal-Fired Power Plants

This project sought to evaluate the technical and economic viability of the Aquapod©, a transformational low energy (<200 kJ/kg water) waste heat coupled forward osmosis (FO) technology, to manage effluents, meet cooling water demands, and achieve water conservation in a coal-fired power plant environment. The Aquapod© process is innovative because it is heat-driven, avoids the evaporation of water, and uses no toxic chemicals such as ammonia or amines. The Aquapod© process accomplishes this using an aqueous two-phase system (ATPS) coupled FO process. The evaluation revealed that the Aquapod© process offers a pathway to exploit waste heat resources within a power plant to achieve flue-gas desulfurization (FGD) wastewater volume reduction and water recovery with minimal pretreatment. Water recovery of 80% from FGD wastewater was achieved with minimal pretreatment, exceeding the project target of 50%. The estimated electrical energy of 2.16 kWh/m 3 of water produced for the Aquapod© process met the project target of < 3.6 kWh/m 3 . The heat required for the process operation was approximately 186 kJ/kg of produced water, which was slightly lower than the project target of 200 kJ/kg. The estimated treatment cost for installing and operating the Aquapod© process in conjunction with a spray dryer evaporator to achieve zero-liquid discharge (ZLD) of the 100 gpm FGD wastewater was $13.24/m 3 over a 30-year lifetime. As a point of reference, this study’s host power plant currently incurs a cost of $3.70/m 3 – $8.87/m3 on a discharged volume basis to discharge its wastewater into the publicly owned treatment works (POTW) after physical-chemical treatment. Therefore, the Illinois power plant would incur an incremental cost increase of $4.37/m 3 – 9.54/m 3 to achieve ZLD using the Aquapod© and spray dryer combination. Ample opportunities exist to further lower the ZLD capital and operating costs in the next design iteration to attain pipe parity at the higher end of the site treatment costs.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting

With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.

08 HYDROGEN↗
DOE OSTI2023

Assessing Methodologies for Detecting Water Intrusion in Wall Systems: Phase 2

Studies by the University of Florida, the Environmental Protection Agency (EPA) and the U.S. Department of Housing (HUD) have revealed that there is a substantial fraction of commercial and residential buildings that have been exposed to moisture resulting in damage or durability problems. Water intrusion into building envelope components leads to a variety of undesirable conditions such as mold, wood rot, corrosion, and aesthetic damage. Tests methods that are presently used to evaluate the amount of water intrusion into a building envelope component are usually qualitative in nature. For example, ASTM E 331, Standard Test Method for Water Penetration of Exterior Windows, Curtain Walls, and Doors by Uniform Static Air Pressure Difference requires that you “observe and record points of water leakage, if any.” This test was originally developed to assess the performance of fenestration products but is commonly adapted to evaluate other enclosure assemblies. However, when it is typically used for walls, this procedure is limited to recognizing if the moisture is visually observable from the backside side of the sheathing. It does not address moisture that is absorbed in the layers of the building envelope component, which could impact the durability of the assembly. Clearly a quantitative means of determining water penetration would improve the quality of this type of test and assist with better understanding the resultant impact on enclosure assemblies. In 2018-20, Oak Ridge National Laboratory, in conjunction with the Air Barrier Association of America, initiated a research project to address this issue. The purpose of that study was to evaluate nine different methods of detecting moisture intrusion through a wall assembly. air and water barrier. The wall assemblies included metal frame construction faced with gypsum sheathing and both self-adhered and fluid applied air and water barriers (AWB) were evaluated for this exercise. This project did not test the efficacy of the different AWBs, rather, fasteners were purposely installed in various ways to foster water penetration and activate the different methods of detection. Each detection method was evaluated for five features that included simplicity of use, cost of implementation, whether the method was quantitative or subjective, accuracy, and applicability. A scale of green/yellow/red was used to assess each feature where green was acceptable, yellow was borderline, and red was not to be pursued at this time. This report covers additional research that has been undertaken to extend the activities initiated in this earlier project with refinements for specific detection methods and considerations for expansion related to field versus laboratory testing standards.

42 ENGINEERING↗
DOE OSTI2024

Understanding Water Controls on Shale Gas/Oil Mobilization into Fractures (FY 2019-2021(FY2022, No Cost Extension), Final Report)

The large volumes of injected and produced water, and costs associated with both hydraulic fracturing fluids and produced water treatment motivate development of hydraulic fracturing strategies that use water more efficiently. The overall objective of this project is to improve understanding on how water is distributed within unconventional shales during and after hydraulic fracturing in order to provide a more rational basis for reservoir stimulation strategies that increase hydrocarbon recovery per unit of water used. The strong capillary imbibition of water into shale matrix pores and immiscibility with hydrocarbons makes it highly desirable to reduce water use during reservoir development. Given the importance, and competing influences of capillarity and gravity in controlling water in fractured porous media, this project also seeks to understand how these factors interact to obstruct or allow gas flow.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2023

Infant burn injuries related to water heating for powdered infant formula preparation

Guidance for preparing powdered infant formula (PIF) helps to ensure it meets the nutritional needs of infants and is safe to consume. Among safety concerns is Cronobacter sakazakii contamination which can lead to serious infections and death. PIF preparation guidance varies; there is a lack of consensus on whether there is a need to boil water to inactivate potential Cronobacter and for how long to let the water cool before reconstitution. We sought to quantify the burden of burn injuries among infants related to water heating for PIF preparation. Estimating this burden may help inform preparation recommendations. Burn injuries among infants <18 months of age were identified from 2017 to 2019 National Electronic Injury Surveillance System data collected from sampled hospital emergency departments. Injuries were classified as related to PIF water heating, potentially related to PIF water heating but with undetermined causation, related to other infant feeding aspects, or unrelated to infant formula or breast milk feeding. Unweighted case counts for each injury classification were determined. Across sampled emergency departments, 7 PIF water heating injuries were seen among the 44,395 injuries reported for infants <18 months. No reported PIF water heating injuries were fatal, but 3 required hospitalization. Another 238 injuries potentially related to PIF water heating but with undetermined causation were also seen. Preparation guidance should consider both the potential risk for Cronobacter infection and the potential risk for burns.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Editorial: Water supply sustainability and challenges in Asian megadeltas under global change

Globally, riverine deltas comprise barely 1% of land area, but they support the livelihoods of more than 500 million people (Moorhouse et al., 2021). The Asian megadeltas (e.g., Indus, Bengal, Mekong, Red River, and Yangtze) and their riverine floodplains are the most dynamic economic and environmental systems in the world. These low-lying coastal landforms support surface water bodies and highly productive aquifer systems. However, water resources of the Asian megadeltas are extremely vulnerable to geogenic (e.g., arsenic) and anthropogenic (e.g., bacteria) contamination, increased water salinisation from rising sea levels (Figure 1), and chemicals (e.g., fertilizers, pesticides) from land-use practices (Mukherjee et al., 2024) – all of which are threatening the sustainability of water supply and food security in the region. This Research Topic collection features five original articles that explore water chemistry including arsenic and bacteriological contamination, water salinisation, water-energy-food nexus in irrigated agriculture, and groundwater depletion resulting from irrigation, rapid urbanization, and climate change. Although the Research Topic collection does not include case studies from all the Asian Megadeltas shown in Figure 1, the relevance of multi-hazard driven water risks to all deltaic and river floodplain environments around the world is well-illustrated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Exploring the elevated water vapor signal associated with the free tropospheric biomass burning plume over the southeast Atlantic Ocean

In southern Africa, widespread agricultural fires produce substantial biomass burning (BB) emissions over the region. The seasonal smoke plumes associated with these emissions are then advected westward over the persistent stratocumulus cloud deck in the southeast Atlantic (SEA) Ocean, resulting in aerosol effects which vary with time and location. Much work has focused on the effects of these aerosol plumes, but previous studies have also described an elevated free tropospheric water vapor signal over the SEA. Water vapor influences climate in its own right, and it is especially important to consider atmospheric water vapor when quantifying aerosol-cloud interactions and aerosol radiative effects. Here we present airborne observations made during the NASA ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) campaign over the SEA Ocean. In observations collected from multiple independent instruments on the NASA P-3 aircraft (from near-surface to 6-7 km), we observe a strongly linear correlation between pollution indicators (carbon monoxide (CO) and aerosol loading) and atmospheric water vapor content, seen at all altitudes above the boundary layer. The focus of the current study is on the especially strong correlation observed during the ORACLES-2016 deployment (out of Walvis Bay, Namibia), but a similar relationship is also observed in the August 2017 and October 2018 ORACLES deployments. Using reanalyses from the European Centre for Medium-Range Weather Forecasts (ECMWF) and Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), and specialized WRF-Chem simulations, we trace the plume-vapor relationship to an initial humid, smoky continental source region, where it mixes with clean, dry upper tropospheric air and then is subjected to conditions of strong westward advection, namely the southern African easterly jet (AEJ-S). Our analysis indicates that air masses likely left the continent with the same relationship between water vapor and carbon monoxide as was observed by aircraft. This linear relationship developed over the continent due to daytime convection within a deep continental boundary layer (up to ~5-6 km) and mixing with higher-altitude air, which resulted in fairly consistent vertical gradients in CO and water vapor, decreasing with altitude and varying in time, but this water vapor does not originate as a product of the BB combustion itself. Due to a combination of conditions and mixing between the smoky, moist continental boundary layer and the dry and fairly clean upper-troposphere air above (~6 km), the smoky, humid air is transported by strong zonal winds and then advected over the SEA (to the ORACLES flight region) following largely isentropic trajectories. Hybrid Single-Particle Lagrangian Integrated Trajectory model (HYSPLIT) back trajectories support this interpretation. This work thus gives insights into the conditions and processes which cause water vapor to covary with plume strength. Better understanding of this relationship, including how it varies spatially and temporally, is important to accurately quantify direct, semi-direct, and indirect aerosol effects over this region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Assessment of the ParFlow–CLM CONUS 1.0 integrated hydrologic model: evaluation of hyper-resolution water balance components across the contiguous United States

Abstract. Recent advancements in computational efficiency and Earth system modeling have awarded hydrologists with increasingly high-resolution models of terrestrial hydrology, which are paramount to understanding and predicting complex fluxes of moisture and energy. Continental-scale hydrologic simulations are, in particular, of interest to the hydrologic community for numerous societal, scientific, and operational benefits. The coupled hydrology–land surface model ParFlow–CLM configured over the continental United States (PFCONUS) has been employed in previous literature to study scale-dependent connections between water table depth, topography, recharge, and evapotranspiration, as well as to explore impacts of anthropogenic aquifer depletion to the water and energy balance. These studies have allowed for an unprecedented process-based understanding of the continental water cycle at high resolution. Here, we provide the most comprehensive evaluation of PFCONUS version 1.0 (PFCONUSv1) performance to date by comparing numerous modeled water balance components with thousands of in situ observations and several remote sensing products and using a range of statistical performance metrics for evaluation. PFCONUSv1 comparisons with these datasets are a promising indicator of model fidelity and ability to reproduce the continental-scale water balance at high resolution. Areas for improvement are identified, such as a positive streamflow bias at gauges in the eastern Great Plains, a shallow water table bias over many areas of the model domain, and low bias in seasonal total water storage amplitude, especially for the Ohio, Missouri, and Arkansas River basins. We discuss several potential sources for model bias and suggest that minimizing error in topographic processing and meteorological forcing would considerably improve model performance. Results here provide a benchmark and guidance for further PFCONUS model development, and they highlight the importance of concurrently evaluating all hydrologic components and fluxes to provide a multivariate, holistic validation of the complete modeled water balance.

O'Neill, Mary M. F. (ORCID:0000000221455165)↗
DOE OSTI2023

Southern Ocean polynyas and dense water formation in a high-resolution, coupled Earth system model

Antarctic coastal polynyas produce dense shelf water, a primary source of Antarctic Bottom Water that contributes to the global overturning circulation. This paper investigates Antarctic dense water formation in the high-resolution version of the Energy Exascale Earth System Model (E3SM-HR). The model is able to reproduce the main Antarctic coastal polynyas, although the polynyas are smaller in area compared to observations. E3SM-HR also simulates several occurrences of open-ocean polynyas (OOPs) in the Weddell Sea at a higher rate than what the last 50 years of the satellite sea ice observational record suggests, but similarly to other high-resolution Earth system model simulations. Furthermore, the densest water masses in the model are formed within the OOPs rather than on the continental shelf as is typically observed. Biases related to the lack of dense water formation on the continental shelf are associated with overly strong atmospheric polar easterlies, which lead to a strong Antarctic Slope Front and too little exchange between on- and off-continental shelf water masses. Strong polar easterlies also produce excessive southward Ekman transport, causing a build-up of sea ice over the continental shelf and enhanced ice melting in the summer season. This, in turn, produces water masses on the continental shelf that are overly fresh and less dense relative to observations. Our results indicate that high resolution alone is insufficient for models to properly reproduce Antarctic dense water; the large-scale polar atmospheric circulation around Antarctica must also be accurately simulated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Water vapor isotopic composition during TRACER IOP

The TRACER-Iso project took place from June 1 to September 30, 2022 as part of the intensive observation period (IOP) of the Tracking Aerosol Convection Interactions (TRACER) project at the main project site at the La Porte, Texas, municipal airport. The project sought to use measurements of the stable isotopic composition of water vapor to better understand cloud-aerosol interactions in deep convection in a polluted urban setting. Water vapor isotopologue and humidity measurements were determined using a Picarro L2130 Water Vapor Isotope Analyzer. The instrument was deployed in the guest van and consists of three main components: a water vapor isotope analyzer, and a Los Gatos Research Water Vapor Isotope Standard Source (WVISS), and a Los Gatos Research Dry Air Source. Ambient air samples were collected through an inlet located about one meter above roof of the shipping container. Samples were then delivered to the analyzer through teflon tubing by use of an external pump to minimize the transport time between the inlet and analyzer. The inlet tubing was surrounded by a Briskheat heat trace and insulating material to ensure ambient air samples did not fall below the dew point and result in condensation. The analyzer uses cavity ringdown spectroscopy to report isotopic ratios of ambient air samples at a frequency of 1 Hz. The calibration unit of the instrument was used in conjunction with the dry air source to periodically measure the δ values of standard waters. It uses a nebulizer to push small water droplets into a hot chamber that vaporizes the water without fractionation. This vapor was then transported to the analyzer using a built-in compressor and the dry air source, which allows each standard with known δ values to be measured at a wide range of humidity values for post-measurement calibration of ambient air samples. There are multiple sources of uncertainty introduced at different stages during the data collection and processing. These include (1) instrument precision, (2) uncertainty in the secondary standards, (3) humidity-correction uncertainty, and (4) VSMOW-SLAP calibration uncertainty. Uncertainty from each step is propagated in quadrature to calculate a total uncertainty of each isotopologue. Uncertainty was determined to be 2.3‰ for δD and 0.4‰ for δ18O.

54 ENVIRONMENTAL SCIENCES↗