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DOE OSTI2024

How do drought and heat affect the response of soybean seed yield to elevated O 3 ? An analysis of 15 seasons of free–air O 3 concentration enrichment studies

The coincidence of rising ozone concentrations ([O 3 ]), increasing global temperatures, and drought episodes is expected to become more intense and frequent in the future. A better understanding of the responses of crop yield to elevated [O 3 ] under different levels of drought and high temperature stress is, therefore, critical for projecting future food production potential. Using a 15-year open-air field experiment in central Illinois, we assessed the impacts of elevated [O 3 ] coupled with variation in growing season temperature and water availability on soybean seed yield. Thirteen soybean cultivars were exposed to a wide range of season-long elevated [O 3 ] in the field using free-air O 3 concentration enrichment. Elevated [O3] treatments reduced soybean seed yield from as little as 5.3% in 2005 to 35.2% in 2010. Although cultivars differed in yield response to elevated [O 3 ] (R), ranging from 17.5% to –76.4%, there was a significant negative correlation between R and O 3 dosage. Soybean cultivars showed greater seed yield losses to elevated [O 3 ] when grown at drier or hotter conditions compared to wetter or cooler years, because the hotter and drier conditions were associated with greater O 3 treatment. However, year-to-year variation in weather conditions did not influence the sensitivity of soybean seed yield to a given increase in [O 3 ]. Collectively, this study quantitatively demonstrates that, although drought conditions or warmer temperatures led to greater O 3 treatment concentrations and O 3 -induced seed yield reduction, drought and temperature stress did not alter soybean's sensitivity to O 3 . Our results have important implications for modeling the effects of rising O 3 pollution on crops and suggest that altering irrigation practices to mitigate O 3 stress may not be effective in reducing crop sensitivity to O 3 .

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

An Integrated Framework for Risk Assessment of Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology Advancement and Application

This report documents activities performed by Idaho National Laboratory (INL) during fiscal year (FY) 2024 for the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, Digital Instrumentation and Control (DI&C) Risk Assessment project. The goal of the RISA Pathway is to optimize safety margins and minimize uncertainties to achieve economic efficiencies while maintaining high levels of safety. This is accomplished by providing scientific basis to better represent safety margins and factors that contribute to cost and safety, and by developing new technologies that reduce operating costs. The research efforts for FY 2024 encompass methodology refinement and exploration. The efforts include: (1) The implementation of a natural language processing tool to expedite key aspects of the reliability analysis methods developed by INL; (2) advances to support intersystem CCF analysis by providing guidance for and identification of coupling mechanisms that may contribute to CCF; (3) the investigation of how generative artificial intelligence tools can aid in hazard analysis and diversity and defense in depth (i.e., D3) assessments; (4) Industry collaboration, allowing the demonstration of and INL's risk assessment tools to support risk assessment of DI&C systems at early and late stages of development; (4) a roadmap for the development of a software for each of INL's risk assessment tools; (5) The development of a theory and methodology manual for a risk quantification methodology; (6) the development of a reliability analysis for machine learning (ML)-integrated control systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Proposed Potential Mitigation of Wastewater Disposal Through Treated Produced Water in Bakken Formation

The recent global expansion in the development of unconventional oil and gas assets has also resulted in a tremendous increase in the number of extended horizontal drilling and hydraulic fracturing projects in the Bakken. The United States is presently the largest global crude oil producer, and the Bakken Formation in North Dakota is one of the major contributors to this achievement. However, the wastewater produced from these increased oilfield activities are highly saline (∼170,000 to 350,000 ppm TDS) and no technology currently available can satisfactorily treat it. As a result, more than 90% of wastewater in the Bakken is disposed of by deep injection into disposal wells. However, there are growing environmental and operational concerns about the sustainability and impacts of this approach. Research has shown that cumulative wastewater injection in some areas could increase the chances of earthquakes in those areas. However, if this produced water is efficiently treated, it could be reused in hydraulic fracturing operations or to support coal mining and irrigation activities. All these applications would reduce the need for wastewater injection and reduce the demand for fresh water used in hydraulic fracturing operations across North Dakota. For this purpose, we propose an enhanced supercritical technology we call Supercritical Water Extraction – Enhance Targeted Recovery to handle the issue of high TDS of flowback and produced water in the Bakken.

04 OIL SHALES AND TAR SANDS↗

DOE OSTI2021

Spatial pattern of lake evaporation increases under global warming linked to regional hydroclimate change

Abstract Lakes are critical natural resources that are vulnerable to climate change. In a warmer climate, lake evaporation is projected to increase globally, but with substantial variation between regions. Here, based on ensemble projections of climate and lake models and an attribution method, we show that future lake evaporation increase is strongly modulated by regional hydroclimate change. Specifically, a drying hydroclimate will amplify evaporation increase by enlarging surface vapor pressure deficit and reducing cloud shortwave reflection. Future lake evaporation increase is amplified in tropical America, the Mediterranean and Southeast China with drier future hydroclimates, and dampened in high latitudes and the Tibetan Plateau with wetter future hydroclimates. Such spatially coupled changes in lake evaporation and hydroclimate have important implications on regional lake water balance and volume change, which can aggravate water scarcity and flood risks.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1994

Observations of cloud liquid water path over oceans: Optical and microwave remote sensing methods

Published estimates of cloud liquid water path (LWP) from satellite-measured microwave radiation show little agreement, even about the relative magnitudes of LWP in the tropics and midlatitudes. To understand these differences and to obtain more reliable estimate, optical and microwave LWP retrieval methods are compared using the International Satellite Cloud Climatology Project (ISCCP) and special sensor microwave/imager (SSM/I) data. Errors in microwave LWP retrieval associated with uncertainties in surface, atmosphere, and cloud properties are assessed. Sea surface temperature may not produce great LWP errors, if accurate contemporaneous measurements are used in the retrieval. An uncertainty of estimated near-surface wind speed as high as 2 m/s produces uncertainty in LWP of about 5 mg/sq cm. Cloud liquid water temperature has only a small effect on LWP retrievals (rms errors less than 2 mg/sq cm), if errors in the temperature are less than 5 C; however, such errors can produce spurious variations of LWP with latitude and season. Errors in atmospheric column water vapor (CWV) are strongly coupled with errors in LWP (for some retrieval methods) causing errors as large as 30 mg/sq cm. Because microwave radiation is much less sensitive to clouds with small LWP (less than 7 mg/sq cm) than visible wavelength radiation, the microwave results are very sensitive to the process used to separate clear and cloudy conditions. Different cloud detection sensitivities in different microwave retrieval methods bias estimated LWP values. Comparing ISCCP and SSM/I LWPs, we find that the two estimated values are consistent in global, zonal, and regional means for warm, nonprecipitating clouds, which have average LWP values of about 5 mg/sq cm and occur much more frequently than precipitating clouds. Ice water path (IWP) can be roughly estimated from the differences between ISCCP total water path and SSM/I LWP for cold, nonprecipitating clouds. IWP in the winter hemisphere is about 3 times the LWP but only half the LWP in the summer hemisphere. Precipitating clouds contribute significantly to monthly, zonal mean LWP values determined from microwave, especially in the intertropical convergence zone (ITCZ), because they have almost 10 times the liquid water (cloud plus precipitation) of nonprecipitating clouds on average. There are significant differences among microwave LWP estimates associated with the treatment of precipitating clouds.

Lin, Bing↗

DOE OSTI2024

Field Validation of a Pilot-scale Black Liquor Membrane for Water Removal at Ahlstrom-Munksjö Paper Mill in Mosinee, WI

Project Background: The Industrial Technology Validation (ITV) program aims to identify and demonstrate the performance of new, emerging, and underutilized technologies in the industrial sector to help inform decisions towards accelerating commercialization and deployment. Pulp and paper is considered one of the most energy-intensive industries in the manufacturing sector. There are several methodologies for converting wood into pulp in the paper-making industry. The kraft process is a chemical method for producing wood pulp. The kraft process generates black liquor as a byproduct of pulp production. Traditionally, water is evaporated from the liquor by a set of multi-effect evaporators (MEEs), which concentrate weak black liquor (WBL) into strong black liquor (SBL) to support efficient combustion in a recovery boiler. Concentrating black liquor is an energy-intensive step in recovering pulping chemicals and generating high-pressure steam from dissolved wood solids. About 7% of pulp and paper energy usage, or nearly 164 trillion Btu, is used to remove water from black liquor in U.S. kraft pulp mills per year. The U.S. DOE’s IEDO is interested in the black liquor membrane technology evaluated in this report because it offers the potential for a more energy-efficient and less carbon-intensive kraft pulping process across 99 kraft pulp mills in 24 states (Agenda 2020 Technology Alliance 2016). This ITV project validates an innovative black liquor membrane technology for kraft pulp mills to understand its impact and benefits. Via Separations is a technology vendor that developed a graphene oxide membrane system to remove water from WBL before entering the evaporator set. High-pressure positive displacement (HPR) pumps move the black liquor through membranes that separate water and create a more concentrated black liquor. The vendor claims their pre-commercial technology reduces evaporator steam consumption by dewatering WBL before entering the evaporators. They also claim their technology has non-energy benefits such as enhanced soap collection and improved pulp throughput. This evaluation focuses on validating the energy and carbon dioxide (CO 2 e) emissions benefits associated with the membrane system.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Stable isotopes of carbon dioxide (CO2), dissolved inorganic carbon (DIC), water and concentrations of greenhouse gases in a mountainous watershed (Crested Butte, Colorado)

Temperature and precipitation variability in response to climate change affects water cycling of watersheds and can potentially impact water quality, water availability, elemental and molecular fluxes, and biogeochemical processes. Here we report the measurements of light stable isotopes and greenhouse gases analysis to a large multidisciplinary project addressing watershed function. Water hydrogen (H) and oxygen (O) stable isotopes of snow and water saturated soil were measured to constrain source contributions to groundwater and streamflow. In an effort to better constrain existing nitrogen and carbon cycling models in high-altitude ecosystems, carbon dioxide (CO2), nitrous oxide (N2O), methane (CH4) greenhouse gases concentrations and stable isotope signatures of CO2, dissolved inorganic carbon (DIC), and water were measured. This dataset includes one CSV file and one Excel file containing data including stable isotopes of carbon dioxide (CO2), dissolved inorganic carbon (DIC), water and concentrations of greenhouse gases. The CSV and Excel files contain the same information/data but have included both versions for accessibility.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Materials Data on P4S7 by Materials Project

P4S7 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4S7 clusters. there are four inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a water-like geometry to two S2- atoms. Both P–S bond lengths are 2.12 Å. In the second P+3.50+ site, P+3.50+ is bonded in a water-like geometry to two S2- atoms. Both P–S bond lengths are 2.12 Å. In the third P+3.50+ site, P+3.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.93–2.14 Å. In the fourth P+3.50+ site, P+3.50+ is bonded to four S2- atoms to form corner-sharing PS4 tetrahedra. There are a spread of P–S bond distances ranging from 1.93–2.13 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one P+3.50+ atom. In the sixth S2- site, S2- is bonded in a single-bond geometry to one P+3.50+ atom. In the seventh S2- site, S2- is bonded in a water-like geometry to two P+3.50+ atoms.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Remote Sensing of Particulate Organic Carbon Pools in the High-Latitude Oceans

The general goal of this project was to characterize spatial distributions at basin scales and variability on monthly to interannual timescales of particulate organic carbon (POC) in the high-latitude oceans. The primary objectives were: (1) To collect in situ data in the north polar waters of the Atlantic and in the Southern Ocean, necessary for the derivation of POC ocean color algorithms for these regions. (2) To derive regional POC algorithms and refine existing regional chlorophyll (Chl) algorithms, to develop understanding of processes that control bio-optical relationships underlying ocean color algorithms for POC and Chl, and to explain bio-optical differentiation between the examined polar regions and within the regions. (3) To determine basin-scale spatial patterns and temporal variability on monthly to interannual scales in satellite-derived estimates of POC and Chl pools in the investigated regions for the period of time covered by SeaWiFS and MODIS missions.

Stramski, Dariusz↗

DOE OSTI2022

Nuclear Energy for Economy-wide Net Zero Solutions: Advancing Nuclear-Hydrogen Production

This presentation was prepared for the Canadian Standards Association Virtual Seminar on Hydrogen Production using Nuclear Energy, held on February 15, 2022. The presentation introduces the US DOE program on Integrated Energy Systems and provides an overview of the Light Water Reactor Sustainability projects to demonstrate hydrogen production at operating nuclear plants in the US.

08 HYDROGEN↗

DOE OSTI2024

Urban morphology and urban water demand evolution in the Los Angeles region

Detailed description of the dataset sources used in this study, the experimental workflow, and plotting for the paper figures provided at the associated GitHub Meta Repo: https://github.com/IMMM-SFA/Ferencz_et_al_2024_ERL The future water demand projections from this study are hypothetical future water demands that reflect the population and urban land cover changes represented by the scenarios considered. The intent and emphasis of this work is investigating the interactions between population change, evolution of urban morphology, and water demand. These projections are not meant to be likely future demands for specific water providers or the LA region and should not be interpreted as such. The folders contain input and output data for each step of the "Recreate my Experiment" workflow described in the associated GitHub meta-repository as well as data used for plotting Figures for the paper that this dataset supports. Description of each folder's contents and use: Step_1a: All necessary inputs to the associated python script provided on the GitHub repo. Step_1b: All necessary inputs (downscaled population rasters) used by the associated python script provided on the GitHub repo. Original 1-km squared rasters that were downscaled also provided. Step_1c: Urban growth projection rasters corresponding to SSP3 and SSP5 population scenarios are provided in separate subfolders as well as the water provider boundaries used for analysis. Outputs of data processing also provided. Associated python script provided on GitHub. Step_1d: Description of Inputs used by the QGIS Model Builder GUI that automates geospatial processing and clipping the of the high resolution land cover data for each urban land class footprint within a defined polygon boundary. The Model Builder is provided on the GitHub repo and can be used by QGIS. The outputs of this step are in "Clipped Provider Hi Res Landcover". If the user wants to use The Model Builder for different regions of LA or two test our outputs, they will need to download the hi resolution landcover raster listed in the Readme and in Ref [2] of the GitHub Page. Step_1e: All necessary inputs to generate average monthly demand for each water provider. Associated python script on GitHub. Step 2: Output data about land cover metrics (areas and fractions) for each urban land class for each water provider. Associated python script on GitHub. Uses outputs from Step 1d "Clipped Provider Hi Res Landcover" Step 3: Inputs for and Outputs from the urban projection raster analysis Python script on GitHub. The outputs are rasters of urban pixels that were converted to a higher land class and the number of land class units that changed (Values of 1, 2, or 3). For example, a value of 2 could be LC 21 -> 23 or LC 22 -> 24. These maps are label "intensification." The other outputs are "urban growth" rasters showing the conversion of non urban to urban land, which are indicated by pixel values of 1. Step 4: Output projections of indoor and outdoor annual and monthly demands for each water provider. These are used for Figures 4 - 7 of the paper. Figures: This folder has data used for plotting Figures 1 through 5. Data for Figures 6 and 7 are sourced directly from folders associated with the Processing and Analysis Steps 1 - 4 and the plotting scripts for Figures 6 and 7 are commented with what folder paths are needed to generate the figures. The GitHub page provides descriptions of how each figure was made and the associated plotting scripts used.

Los Angeles↗

DOE OSTI2021

Peak radial growth of diffuse-porous species occurs during periods of lower water availability than for ring-porous and coniferous trees

Climate models project warmer summer temperatures will increase the frequency and heat severity of droughts in temperate forests of Eastern North America. Hotter droughts are increasingly documented to affect tree growth and forest dynamics, with critical impacts on tree mortality, carbon sequestration and timber provision. The growing acknowledgement of the dominant role of drought timing on tree vulnerability to water deficit raises the issue of our limited understanding of radial growth phenology for most temperate tree species. Here, we use well-replicated dendrometer band data sampled frequently during the growing season to assess the growth phenology of 610 trees from 15 temperate species over 6 years. Patterns of diameter growth follow a typical logistic shape, with growth rates reaching a maximum in June, and then decreasing until process termination. On average, we find that diffuse-porous species take 16–18 days less than other wood-structure types to put on 50% of their annual diameter growth. However, their peak growth rate occurs almost a full month later than ring-porous and conifer species (ca. 24 ± 4 days; mean ± 95% credible interval). Unlike other species, the growth phenology of diffuse-porous species in our dataset is highly correlated with their spring foliar phenology. We also find that the later window of growth in diffuse-porous species, coinciding with peak evapotranspiration and lower water availability, exposes them to a higher water deficit of 88 ± 19 mm (mean ± SE) during their peak growth than ring-porous and coniferous species (15 ± 35 mm and 30 ± 30 mm, respectively). Given the high climatic sensitivity of wood formation, our findings highlight the importance of wood porosity as one predictor of species climatic sensitivity to the projected intensification of the drought regime in the coming decades.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Impact of Initialized Land Surface Temperature and Snowpack on Subseasonal to Seasonal Prediction Project, Phase I (LS4P-I): organization and experimental design

Subseasonal-to-seasonal (S2S) prediction, especially the prediction of extreme hydroclimate events such as droughts and floods, is not only scientifically challenging, but also has substantial societal impacts. Motivated by preliminary studies, the Global Energy and Water Exchanges (GEWEX)/Global Atmospheric System Study (GASS) has launched a new initiative called “Impact of Initialized Land Surface Temperature and Snowpack on Subseasonal to Seasonal Prediction” (LS4P) as the first international grass-roots effort to introduce spring land surface temperature (LST)/subsurface temperature (SUBT) anomalies over high mountain areas as a crucial factor that can lead to significant improvement in precipitation prediction through the remote effects of land–atmosphere interactions. LS4P focuses on process understanding and predictability, and hence it is different from, and complements, other international projects that focus on the operational S2S prediction. More than 40 groups worldwide have participated in this effort, including 21 Earth system models, 9 regional climate models, and 7 data groups.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2015

Noctis Landing: A Proposed Landing Site/Exploration Zone for Human Missions to the Surface of Mars

The proposed Noctis Landing Site/Exploration Zone (LS/EZ) is shown in Figure 1. Our preliminary study suggests that the proposed site meets all key Science and Resources (incl. Civil Engineering) requirements. The site is of significant interest, as the EZ not only offers a large number and wide range of regions of interest (ROIs) for short-term exploration, it is also located strategically at the crossroads between Tharsis and Valles Marineris, which are key for long-term exploration. The proposed site contains Regions of Interest (ROIs) that meet the following Science requirements: -‐ Access to (1) deposits with a high preservation potential for evidence of past habitability and fossil biosignatures and (2) sites that are promising for present habitability. The site presents a wide variety of ROIs qith likely aqueous features and deposits, including sinous channels and valleys, slope gullies, lobate debris aprons, impact craters with lobate ejecta flows, and "bathtub ring" deposits. Neutron spectrometry also suggests hydrogen is present within the topmost 0.3 m or so of 4 to 10 wt% WEH (Water Equivalent Hydrogen). -‐ Noachian and/or Hesperian rocks in a stratigraphic context that have a high likelihood of containing trapped atmospheric gases. Collapsed canyon rim material with preserved stratigraphy is abundantly present and accessible. -‐ Exposures of at least two crustal units that have regional or global extents, that are suitable for radiometric dating, and that have relative ages that sample a significant range of martian geological time. Canyons floors in Ius Chasma, Tithonium Chasma, and plateau tops on Tharsis and in Sinai Planum offer access to distinct crustal units of regional extent. -‐ Access to outcrops with linked morphological and/or geochemical signatures indicative of aqueous or groundwater/ mineral interactions. Iron and sulfur-bearing deposits on canyon floors in Noctis Labyrinthus, and in Ius Chasma (IC) and Tithonium Chasma (TC) offer many such outcrop options. -‐ Identifiable stratigraphic contacts and cross-cutting relationships from which relative ages can be determined. In place and collapsed canyon walls in NL, TC, and IC offer such opportunities. -‐ Other types of ROIs include access points to surrounding plateau top areas for longer term regional exploration. A key attribute of the proposed Noctic Landing site is its strategic location to allow the shortest possible surface excusions to Tharsis and Valles Marineris (VM). VM is the feature and region on Mars that exposes the longest record of Mars' geology and evolution through time. Tharsis is the region of Mars that has experienced the longest and most extensive volcanic history, and might still be volcanically active. Some of the youngest lava flows on Mars have been identified on the western flanks of the Tharsis Bulge, i.e., within driving range of future longrange (500 - 1000 km) pressurized rover traverses. The proposed site also contains ROIs that offer the following Resources (incl. Civil Engineering) characteristics: -‐ Access to raw material that exhibits the potential to (1) be used as feedstock for water-generating in situ resource utilization (ISRU) processes and (2) yield significant quantities (greater than 100 MT) of water. The raw material is likely in the form of hydrated minerals, and possibly ice/regolith mix. The top of the raw material deposit is at the surface. -‐ Access to a region where infrastructure can be emplaced or constructed. This region is less than 5 km from the LS and contains flat, stable terrain. The region exhibits evidence for an abundant source of loose regolith. Several deep pits in the area combined with the availability of sand suggests that some natural terrain features can be adapted for construction purposes. -‐ Access to raw material that exhibits the potential to be used as metal feedstock for ISRU and construction purposes. Iron and sulfur-rich mineral surface deposits have been identified in CRISM data in many locations in this area. Noctis Landing is the lowest-altitude location on Mars that straddles both the Tharsis region (above average geothermal gradients) and Valles Marineris (minimal crustal thickness from surface (valley floor) to a subsurface liquid water table. Noctis Landing has the potential for being an ideal site for eventual deep drilling on Mars to access deep subsurface liquid water and potentially encountering extant life. Available data remains insufficient to fully qualify the Noctis Landing site. Additional remote sensing data (visible, Near and Mid-IR, and radar) and surface reconnaissance via a high-mobility robotic rover are recommended. In particular, it will be important to assess the trafficability of the site, and its potential for yielding water and metals as a resource. Access to plateau tops from the Noctis Landing site on the canyon floor should be demonstrated. Future exploration of the site would also be enhanced significantly by the availability of robotic (tele-operatable) surveying and sample-collecting drones. Testing of the use of such collaborative science and exploration technologies should be conducted at terrestrial sites such as the Haughton-Mars Project site on Devon Island, High Arctic, among others. Note: Noctis Landing is not an official Mars nomenclature name for this location. Because the area of the proposed LS/EZ had no name, and because it is close to Noctis Labyrinthus to the West while being distinct from it, the provisional name Noctis Landing is proposed. Noctis means night in Latin.

Lee, Pascal↗

NASA NTRS2008

A Multi-Season Study of the Effects of MODIS Sea-Surface Temperatures on Operational WRF Forecasts at NWS Miami, FL

Studies at the Short-term Prediction Research and Transition (SPORT) Center have suggested that the use of Moderate Resolution Imaging Spectroradiometer (MODIS) sea-surface temperature (SST) composites in regional weather forecast models can have a significant positive impact on short-term numerical weather prediction in coastal regions. Recent work by LaCasse et al (2007, Monthly Weather Review) highlights lower atmospheric differences in regional numerical simulations over the Florida offshore waters using 2-km SST composites derived from the MODIS instrument aboard the polar-orbiting Aqua and Terra Earth Observing System satellites. To help quantify the value of this impact on NWS Weather Forecast Offices (WFOs), the SPORT Center and the NWS WFO at Miami, FL (MIA) are collaborating on a project to investigate the impact of using the high-resolution MODIS SST fields within the Weather Research and Forecasting (WRF) prediction system. The project's goal is to determine whether more accurate specification of the lower-boundary forcing within WRF will result in improved land/sea fluxes and hence, more accurate evolution of coastal mesoscale circulations and the associated sensible weather elements. The NWS MIA is currently running WRF in real-time to support daily forecast operations, using the National Centers for Environmental Prediction Nonhydrostatic Mesoscale Model dynamical core within the NWS Science and Training Resource Center's Environmental Modeling System (EMS) software. Twenty-seven hour forecasts are run dally initialized at 0300, 0900, 1500, and 2100 UTC on a domain with 4-km grid spacing covering the southern half of Florida and adjacent waters of the Gulf of Mexico and Atlantic Ocean. Each model run is initialized using the Local Analysis and Prediction System (LAPS) analyses available in AWIPS. The SSTs are initialized with the NCEP Real-Time Global (RTG) analyses at 1/12deg resolution (approx.9 km); however, the RTG product does not exhibit fine-scale details consistent with its grid resolution. SPORT is conducting parallel WRF EMS runs identical to the operational runs at NWS MIA except for the use of MODIS SST composites in place of the RTG product as the initial and boundary conditions over water, The MODIS SST composites for initializing the SPORT WRF runs are generated on a 2-km grid four times daily at 0400, 0700, 1600, and 1900 UTC, based on the times of the overhead passes of the Aqua and Terra satellites. The incorporation of the MODIS SST data into the SPORT WRF runs is staggered such that SSTs are updated with a new composite every six hours in each of the WRF runs. From mid-February to July 2007, over 500 parallel WRF simulations have been collected for analysis and verification. This paper will present verification results comparing the NWS MIA operational WRF runs to the SPORT experimental runs, and highlight any substantial differences noted in the predicted mesoscale phenomena for specific cases.

Case, Jonathan L.↗

DOE OSTI2026

Bench-Scale Development of Promoted High-Capacity Structured Sorbents (Final Technical Report)

The project objective was to develop high-capacity structured sorbent capable of achieving low CO 2 removal from air. The sorbent framework consists of an amine-functionalized onto hydrophobic polymer backbone with an added promoter. The functionalized amine provides high CO 2 capacity and adsorption rates and the polymer backbone to reduce water uptake. For the sorbent development, multiple functionalized amines and promoters were assessed to select a candidate that achieved high CO 2 capacity, high adsorption rate, and high stability. A sorbent-coated filter design was selected as the structured sorbent, which provides high sorbent loading capacity and contains an electrically conductive nonwoven filter substrate that can be Joule-heated to provide efficient utilization of available electricity for sorbent regeneration. A commercial partner operated a pilot filter manufacturing line to produce the filter panels coated with the developed sorbent. A 1 kg CO 2 /day bench unit was designed and fabricated to test the structured filter sorbent. The key achievements from the structured sorbent development activity were demonstrating that existing filter industrial-scale processes can be used for manufacturing Susteon’s structured sorbent and completing a proof-of-concept demonstration of the commercially manufactured structured sorbent filters for CO 2 capture from air with direct, Joule-heated regeneration. A techno-economic assessment with sensitivity analysis was conducted on a 100,000 TPY facility with 85% operating capacity. Through sorbent optimization and process design improvements, it is estimated that the cost of capture was reduced from $\$$349/tCO 2 to $\$$241/tCO 2 . The TEA projects further reductions to $165/tCO 2 through enhancements in CO 2 adsorption rate and sorbent capacity and reducing manufacturing and scale up risks. A life cycle analysis was conducted on the same 100,000 TPY facility and confirmed that the facility’s electricity demand drives its greenhouse gas impact. It was determined that electricity supplied through the current grid mix would result in net-positive CO 2 emissions and that achieving net-negative emissions is only possible by powering the system with renewable electricity or fossil fuel sources equipped with carbon capture and sequestration.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Molten Chloride Thermophysical Properties, Chemical Optimization, and Purification

Next-generation concentrating solar power (CSP) technology requires high-temperature heat-transfer fluids and thermal energy storage that can operate in the temperature range of 500°–720°C. This high temperature demands a new chemistry for the heat-transfer fluids that must have high-temperature thermal and chemical stabilities, high energy density, and low corrosion rate on metallic materials used in the heat exchangers, piping, and thermal energy storage tanks. A ternary MgCl 2 -KCl-NaCl chloride-salt system has been proposed to achieve such goals, given its high-temperature thermal stability. The chloride-salt-based systems have been used by the metallurgy industry as the electrolyte to electrolytically extract metallic magnesium. They have also attracted attentions from the nuclear industry for developing the molten salt fast reactors that can operate at close to atmospheric pressure and at higher temperature than traditional light-water reactors. However, the corrosion properties of the ternary salt are not well known. The corrosion mechanism is believed to be correlated to the presence of MgOHCl impurity at the operation temperature. MgOHCl is fundamentally caused by the hygroscopic nature of the MgCl 2 component. Therefore, the first key objective of this project is to understand the nature of the corrosiveness of the ternary chloride-salt system and its prevention by designing new lab-scale purification processes. Because of its importance, a working group called the Chloride Salt Collective across multiple U.S. Department of Energy national laboratories is established to gain experimental agreement on the corrosion behaviors. In addition, water generation during salt dehydration could lead to highly corrosive HCl/water mixture via a hydrolysis process between water and anhydrous MgCl 2 or MgCl 2 hydrates. MgOHCl will eventually be converted to MgO particulates regardless of the chemical path chosen (i.e., by thermal decomposition, chemical purification with an active metal, or electrochemical purification utilizing the reduction power of electron flows). Large MgO particles with high hardness can wear out bearing and bushing and even clog the delicate channels in the primary heat exchanger. Because of this, a second objective is to understand the chemistry behind salt purification and transfer the scientific understanding to a set of engineering know-how for large-scale salt melter design. Because there is limited information on the thermophysical properties and the sensitivity of these properties around the targeted salt composition, a third objective is to measure thermophysical properties relevant to system and component design and support Topic 1 Liquid Pathway development. For example, composition shift due to salt reaction with water can be a potential issue because it can lead to changes of thermophysical properties, such as (1) melting point (or freeze point), which can jeopardize safe operation of the supercritical CO 2 power cycle proposed for next-generation CSP, and (2) heat capacity and density, which can decrease the overall power-generation capability of the plants. The value of the thermal conductivity of the selected salt composition is also a critical criterion for the solar receiver design.

14 SOLAR ENERGY↗

DOE OSTI2022

C3F: Collaborative Container-based Model Coupling Framework

Solving complex real-world grand challenge problems requires in-depth collaboration of researchers from multiple disciplines. Such collaboration often involves harnessing multiscale and multi-dimensional data and combining models from different fields to simulate systems. However, the progress on this front has been limited mainly due to significant gaps in domain knowledge and tools that are typically employed in silos of the domains. Researchers from different fields face considerable barriers to understanding and reusing each other’s data/models in order to collaborate effectively. For example, in solving the global sustainability problems, researchers from hydrology, climate science, agriculture, and economics need to run their respective models to study different components of the global and local food, energy and water systems while, at the same time, need to interact with other researchers and integrate the results of one model with another. Developing this kind of model coupling workflow calls for (1) a large amount of data being processed and exchanged across domains and organizations, (2) identifying and processing the output of one model to make it ready for integration into another model, (3) controlling the workflow dynamically so that it runs until a certain convergence condition or other criteria is met, and (4) close collaboration among the modelers to explore, tune, and test the configuration and data transformation needed to link the models. We have developed C3F, a flexible collaborative model coupling framework to help researchers accelerate their model integration and linking efforts by leveraging advanced cyberinfrastructure such as high-performance computing and virtual containers. In this paper, we describe our experience and lessons learned in developing this cyberinfrastructure solution to support the linking of Water Balance Model (WBM) and SIMPLE-G agricultural economic model in an NSF funded INFEWS project and a DOE-funded Program on Coupled Human and Earth Systems (PCHES) to study the implications of groundwater scarcity for food-energy-water systems. The C3F model coupling framework can be extended to facilitate other model linkages as well.

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