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At least 145 records · Page 8

Geothermal Play-Fairway Analysis of Washington State Prospects: Final Report

The Washington State Geothermal Play-Fairway Analysis overcomes the exploration challenges posed by dense vegetation, glacial deposits, and extreme precipitation. The geothermal play-fairways we target are locations where heat, permeability, and saturated porosity are present in sufficient volume to provide adequate heat exchange at depths accessible by modern drilling technology. The three study areas lie along the Cascade Range magmatic arc and are near Mount Baker, Mount St. Helens, and the Wind River Valley. The seven-year project is divided into three phases. In Phase 1 we build on a previous statewide assessment of geothermal resources and develop an initial modeling approach. The results are a series of favorability, uncertainty, and risk maps for three targeted study areas. Based on these initial results, we collect new geologic and geophysical data to further refine our modeling and reduce exploration uncertainty in Phase 2. We improve the modeling method to handle the new data and update the favorability, uncertainty, and risk maps. We also update the conceptual geothermal resource models. In Phase 3 we validate our modeling approach by drilling two temperature-gradient holes and collecting and analyzing core, image logs, and new geochemistry. Our modeling approach improves on an earlier statewide method through a more-rigorous and detailed assessment of heat and permeability. Permeability potential is assessed through geomechanical modeling of the deformation that can generate and maintain reservoir porosity and permeability. Metrics to inform heat potential include temperature-gradient wells, which are sparse in Washington; proximity of Quaternary volcanic vents and young intrusive rock; spring temperature; and reservoir temperature inferred from geothermometry. We weight the individual components using an expert-guided approach known as the Analytical Hierarchy Process. During Phase 2 we also develop a fluid-filled fracture model, and an infrastructure model that helps to delineate areas which are more favorable for geothermal development based on proximity to transmission lines, elevation, land ownership and use restrictions, and availability of process water. New geologic and geophysical data is collected during Phase 2 in each of our three main study areas. At Mount Baker and north of Mount St. Helens we conduct 1:24,000-scale geologic mapping and lidar analysis to better constrain the location and character of surface faults; detailed mapping in the Wind River Valley was completed just prior to the start of this project. Ages of intrusive rocks are determined with 40 Ar/ 39 Ar geochronology, though all of our samples are Miocene or older. We collect ground based gravity observations (a total of 1,580 new stations) in all of our study areas and ground-based magnetic lines (a total of 93 km) at Mount Baker. These data are combined with existing gravity and aeromagnetic data and used to constrain fault locations and geometry. Two to three cross sections are constructed at each study area using the mapped surface geology and forward-modeling of the gravity and magnetic data; these cross sections form the basis for our updated conceptual models. We collect magnetotelluric surveys at Mount Baker and Mount St. Helens and these data are inverted to form a resistivity model from the surface to about 10 km depth; each model shows conductive zones that can be interpreted as upwelling geothermal fluids. At Mount St. Helens we deploy a passive seismic array and use the newly detected events to refine the location of the Saint Helens seismic zone. We also employ ambient-noise tomography to develop a detailed seismic-velocity model for the study area and use this model to help constrain our cross sections and conceptual model. Based on the new data collected during Phase 2—and our updated models—we develop a campaign of temperature-gradient holes and core analysis to validate our modeling in Phase 3. Drill hole MB76-31 is located near Little Park Creek, 11 km west-southwest of the summit of Mount Baker, and is 1,471 ft deep. About 410 ft of core from the lower portion of the hole—and image logs from ~175 ft below ground surface to the bottom—are collected and analyzed. Water samples are collected and processed for geothermometry. Drill hole MSH17-24 is located along upper Schultz Creek, 16 km north-northeast of Mount St. Helens and has core from 470 ft to the bottom at 1,053 ft. We did not collect image logs due to borehole stability concerns, but water samples are collected and analyzed for geothermometry. Repeat temperature-gradient measurements are made at both sites and thermal conductivity is measured from core samples. At MB76-31, the equilibrated temperature gradient of 64°C/km and calculated heat flow of 141–159 mW/m 2 is more than twice the regional average. Detailed mapping and analysis of the core, coupled with correlation to the image logs, indicates a history of permeability generation consistent with our predictions of high permeability. Because the site has high favorability in the Phase 2 model, we consider the results a positive validation of the modeling. At site MSH17-24, the equilibrated temperature gradient of ~15°C/km and calculated heat flow of 41–43 mW/m 2 are similar to regional. Geochemical analysis of the water samples indicates a meteoric source without any geothermal component. Detailed outcrop-based mapping of fault exposures near the drill site and analysis of image logs from nearby boreholes indicates a history of permeability generation consistent with our predictions. Because the site has low favorability in the Phase 2 model, we consider the results a positive validation of the modeling. Together, the two sites provide a reasonably positive validation of the Phase 2 modeling and should encourage future use of this modeling approach.

15 GEOTHERMAL ENERGY↗

Regional epithelial cell diversity in the small intestine of pigs

Abstract Understanding regional distribution and specialization of small intestinal epithelial cells is crucial for developing methods to control appetite, stress, and nutrient uptake in swine. To establish a better understanding of specific epithelial cells found across different regions of the small intestine in pigs, we utilized single-cell RNA sequencing (scRNA-seq) to recover and analyze epithelial cells from duodenum, jejunum, and ileum. Cells identified included crypt cells, enterocytes, BEST4 enterocytes, goblet cells, and enteroendocrine (EE) cells. EE cells were divided into two subsets based on the level of expression of the EE lineage commitment gene, NEUROD1. NEUROD1hi EE cells had minimal expression of hormone-encoding genes and were dissimilar to EE cells in humans and mice, indicating a subset of EE cells unique to pigs. Recently discovered BEST4 enterocytes were detected in both crypts and villi throughout the small intestine via in situ staining, unlike in humans, where BEST4 enterocytes are found only in small intestinal villi. Proximal-to-distal gradients of expression were noted for hormone-encoding genes in EE cells and nutrient transport genes in enterocytes via scRNA-seq, demonstrating regional specialization. Regional gene expression in EE cells and enterocytes was validated via quantitative PCR (qPCR) analysis of RNA isolated from epithelial cells of different small intestinal locations. Though many genes had similar patterns of regional expression when assessed by qPCR of total epithelial cells, some regional expression was only detected via scRNA-seq, highlighting advantages of scRNA-seq to deconvolute cell type-specific regional gene expression when compared to analysis of bulk samples. Overall, results provide new information on regional localization and transcriptional profiles of epithelial cells in the pig small intestine.

Agriculture↗

Energy gain scale calibration of the XRISM Resolve microcalorimeter spectrometer: ground calibration results and on-orbit comparison

The Resolve instrument aboard the X-ray Imaging and Spectroscopy Mission (XRISM) is a 36-pixel microcalorimeter spectrometer that provides nondispersive spectroscopy with ∼ 5 eV spectral resolution in the soft X-ray waveband. Resolve has a requirement to provide an absolute energy-scale calibration of ± 2 eV from 0.3 to 12 keV. We describe our ground calibration strategy and results of a subset of the ground calibration campaigns, including a discussion of improvements in the energy scale ground calibration compared with Hitomi’s. These improvements include calibration of the low-energy band below 4 keV with the instrument in the flight dewar and the dewar aperture door open, which was not performed for Hitomi, and thorough measurements over an extended high-energy waveband to 22 keV. We also developed an improved technique for gain calibration of “mid-res” secondary events, which have suppressed gain due to proximity to a preceding X-ray event (18 to 70 ms) on the same pixel. We provide a discussion of the on-orbit energy scale monitoring campaigns and an assessment of the Resolve energy scale uncertainties, a key parameter for astrophysics analysis. Energy-scale calibration approaches for future space-based instruments, including the X-ray Integral Field Unit on Athena and microcalorimeter spectrometers proposed or under discussion for future X-ray observatory concepts, have heritage in the calibration of XRISM. We briefly comment on lessons learned from Resolve calibration that are relevant for these future instruments.

Aluminum↗

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

Experimental and theoretical studies disagree on the energetics of methane adsorption on carbon materials. However, this information is critical for the rational design and optimization of the structure and composition of adsorbents for natural gas storage. The delicate nature of dispersion interactions, polarization of both the adsorbent and the adsorbate, interplay between H-bonding and tetrel bonding, and induced dipole/Coulomb interactions inherent to methane physisorption require computational treatment at the highest possible level of theory. In this study, we employed the smallest reasonable computational model, a maquette of porous carbon surfaces with a central site for substitution and methane binding. The most accurate predictions of methane adsorption energetics were achieved by electron-correlated molecular orbital theory CCSD(T) and hybrid density functional theory MN15 calculations employing a saturated, all-electron basis set. Here, the characteristic geometry of methane adsorption on a carbon surface (“lander approach”) arises due to bonding interactions of the adsorbent π-system with the proximal H–C bonds of methane, in addition to tetrel bonding between the antibonding orbital of the distal C–H bond and the central atom of the maquette (C, B, or N). The polarization of the electron density, structural deformations, and the comprehensive energetic analysis clearly indicate a ∼3 kJ mol –1 preference for methane binding on the N-substituted maquette. The B-substituted maquette showed a comparable or lower binding energy than the unsubstituted, pure C model, depending on the level of theory employed. The calculated thermodynamic results indicate a strategy for incorporating electron-enriched substitutions (e.g., N) into carbon materials as a way to increase methane storage capacity over electron-deficient (e.g., B) modifications. The thermochemical analysis was revised for establishing a conceptual agreement between the experimental isosteric heat of adsorption and the binding enthalpies from statistical thermodynamics principles.

03 NATURAL GAS↗

Structure of supported DPPC/cholesterol bilayers studied via X-ray reflectivity

The electron density profile of bilayers of DPPC/cholesterol mixtures supported on semiconductor grade silicon substrates were studied with the objective of determining how the proximity of a solid interface modifies the phase diagram of mixed bilayers. The bilayers were studiedin situimmersed in waterviasynchrotron X-ray reflectivity (XRR). Measurements were performed as a function of temperature through the main phase transition and cholesterol mole fractions up to 40%. Analysis of XRR yields the bilayer thickness, roughness and leaflet asymmetry. We find that the structure of the pure DPPC bilayers in the gel phase is in agreement with previous X-ray measurements of supported bilayers depositedviavesicle fusion and multilamellar vesicles but show more clearly defined features than measurements made on films formed using Langmuir-Blodget Langmuir-Shaffer (LB) deposition. Examination of bilayer thicknessvs.temperature shows that the melting temperature for supported bilayers is shifted upwards by approximately 4 degrees C relative to multilamellar vesicles and that the melting temperature decreases with increasing cholesterol content up to 20%. For pure DPPC bilayers the leaflets melt in two stages with the distal leaflet melting first. For cholesterol concentrations of 10% and 20% there is no clear indication of separate melting. Finally. for 33% and 40% cholesterol content no clear transition is seen in the bilayer thickness, but an abrupt change in roughness indicates possible microdomain formation in the 40% cholesterol sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ablating Lgr5-expressing prostatic stromal cells activates the ERK-mediated mechanosensory signaling and disrupts prostate tissue homeostasis

The heterogeneity of the prostate stromal cells is widely appreciated but the functional implication remains incompletely understood. Using genetic lineage tracing and light-sheet imaging, we show that some fibroblast cells near the junction of the mouse proximal prostatic ducts and prostatic urethra highly express Lgr5. Genetic ablation of these anatomically restricted stromal cells, but not nonselective ablation of prostatic stromal cells, rapidly induces prostate epithelial turnover and dedifferentiation that are reversed following spontaneous restoration of the Lgr5 + stromal cells. RNA-Seq analysis implies that ablating the Lgr5 + stromal cells activates a mechanosensory response. We show that ablating the Lgr5 + stromal cells impairs the control of prostatic ductal outlet, increases prostate tissue stiffness, and activates the mitogen-activated protein kinase (MAPK). Suppressing MAPK overrides the increased epithelial proliferation. This study demonstrates that the Lgr5 + stromal cells regulate tissue homeostasis in a long-distance manner by maintaining anatomic integrity and implies that the cells near the transitional regions between organs likely control organ homeostasis by sustaining a balanced mechanoforce.

59 BASIC BIOLOGICAL SCIENCES↗

Cryo-EM structures of DNA-free and DNA-bound BsaXI: architecture of a Type IIB restriction–modification enzyme

Abstract We have determined multiple cryogenic electron microscopy (cryo-EM) structures of the Type IIB restriction–modification enzyme BsaXI. Such enzymes cleave DNA on both sides of their recognition sequence and share features of Types I, II, and III restriction systems. BsaXI forms a heterotrimeric (RM)2S assemblage in the presence and absence of bound DNA. Two unique structural motifs—a multi-helical “knob” and a long antiparallel double-helical “paddle”—are involved in DNA binding and cleavage. Binding of the DNA target triggers a large conformational change from an ‘open’ to ‘closed’ configuration, resulting in a mixture of two different conformations with respect to the positioning of the S subunit and its target recognition domains on the enzyme’s bipartite DNA target site. Structure-guided mutagenesis studies implicated two clusters of residues in the RM subunit as being critical for DNA cleavage, both are located proximal to a DNA cleavage site. One corresponds to a canonical PD-(D/E)xK endonuclease site in the N-terminal endonuclease domain, while the other corresponds to residues clustered within the paddle motif (near to the C-terminal end of the RM subunit). This analysis facilitates a comparison of three potential mechanisms by which such enzymes cleave DNA on each side of the bound target.

Shen, Betty W.↗

Spatiotemporal Analyses of Groundwater and Shoreline Cr(VI) Concentrations in the 100 Areas at Hanford

Cleanup efforts have been ongoing since the late 1990s to remediate contaminated waste sites and groundwater in the 100 Areas at the U.S. Department of Energy (DOE) Hanford Site. One of the primary contaminants of concern is hexavalent chromium (Cr(VI)), which was used as a corrosion inhibitor in cooling water for nuclear reactors that formerly operated along the shoreline of the Columbia River. Cleanup efforts have included 1) removal, treatment (as needed), and disposal of contaminated sediments; 2) in situ redox manipulation as a permeable reactive barrier; 3) pump-and-treat; 4) soil flushing; and 5) monitored natural attenuation. DOE’s annual groundwater monitoring reports document the significant reductions in Cr(VI) plume areas that have occurred over the past 10 years or more as a result of these cleanup efforts. The Record of Decision for the 100-HR-3 operable unit specified a cleanup level (CUL) for Cr(VI) in groundwater of 48 µg/L to protect human receptors, and a surface water CUL of 10 µg/L to protect aquatic organisms in the Columbia River. The Record of Decision did not specify point-of-compliance locations for the surface water CUL. Data for 2019 from the six groundwater operable units (OUs) in the 100 Areas indicate that the 48 μg/L groundwater CUL has been achieved in 100% of the wells in the 100-BC and 100-NR OUs, and in 89- 97% of the wells in the other OUs (100-KR, 100-HR-D, 100-HR-H, 100-FR). Data for 2019 indicate that 100% of the aquifer tubes monitored for Cr(VI) in the 100 Areas have concentrations below the 48 μg/L groundwater CUL. However, the 10 μg/L standard has not yet been consistently achieved for both inland groundwater monitoring wells and shoreline aquifer tubes. This report describes a series of data analyses performed to identify consistent relationships, if any, between inland well and shoreline Cr(VI) concentrations within the 100 Areas. To this end, select monitoring data for Cr(VI) measured in groundwater and aquifer tubes at the 100 Areas were analyzed for a 10-year period—2010 to 2019. Relationships between inland groundwater plumes and surface-water points of discharge in and along the Columbia River were examined through several analyses that included inland well and aquifer tube concentrations as a function of distance from the shoreline, evaluation of cumulative probability plots, trend analysis, correlation analysis, cluster analysis, and identification of plume trajectories for each of the 100 Areas. The analyses did not identify consistent relationships between inland groundwater Cr(VI) concentrations and shoreline concentrations within the 100 Areas due to several confounding factors influencing groundwater flow directions and Cr(VI) concentrations. The proximity of groundwater Cr(VI) plumes to the river, and the highly dynamic nature of the river, influence the transport behavior of the plumes and create challenges for quantifying attenuation of Cr(VI) between the inland monitoring wells and shoreline concentrations. Other factors contributing to temporal and spatial Cr(VI) concentrations, as supported by some of the data analyses, include the presence of vadose zone sources, variable sorption behavior, and complexities associated with Cr(VI) mass transfer between the upper and lower aquifers and their interactions with the river. Hence, monitoring to assess compliance with target CULs will need to be determined for each area individually since several factors influence Cr(VI) concentrations in the 100 Areas.

54 ENVIRONMENTAL SCIENCES↗

Radiosonde Observations of Environments Supporting Deep Moist Convection Initiation during RELAMPAGO-CACTI

The Remote Sensing of Electrification, Lightning, and Mesoscale/Microscale Processes with Adaptive Ground Observations (RELAMPAGO) and Cloud, Aerosol, and Complex Terrain Interactions (CACTI) projects deployed a high-spatiotemporal-resolution radiosonde network to examine environments supporting deep convection in the complex terrain of central Argentina. This study aims to characterize atmospheric profiles most representative of the near-cloud environment (in time and space) to identify the mesoscale ingredients affecting storm initiation and growth. Spatiotemporal autocorrelation analysis of the soundings reveals that there is considerable environmental heterogeneity, with boundary layer thermodynamic and kinematic fields becoming statistically uncorrelated on scales of 1–2 h and 30 km. Using this as guidance, we examine a variety of environmental parameters derived from soundings collected within close proximity (30 km in space and 30 min in time) of 44 events over 9 days where the atmosphere either: 1) supported the initiation of sustained precipitating convection, 2) yielded weak and short-lived precipitating convection, or 3) produced no precipitating convection in disagreement with numerical forecasts from convection-allowing models (i.e., Null events). There are large statistical differences between the Null event environments and those supporting any convective precipitation. Null event profiles contained larger convective available potential energy, but had low free-tropospheric relative humidity, higher freezing levels, and evidence of limited horizontal convergence near the terrain at low levels that likely suppressed deep convective growth. Here, we also present evidence from the radiosonde and satellite measurements that flow–terrain interactions may yield gravity wave activity that affects CI outcome.

54 ENVIRONMENTAL SCIENCES↗

Contextualizing Non-Powered Dam Site Selection for Archimedes Screw Turbines: A Methodology for Responsible Archimedes Screw Turbine Conversion at Existing Dams

Non-powered dams represent 97% of dams in the United States and their energy generation potential has not been fully realized. The use of an Archimedes screw turbine to generate power at non-powered dams offers a dual benefit; producing electricity, and acting as downstream fish passage, helping to reconnect previously separated ecosystems. In this study, we assess the technical, environmental, social, and economic feasibility of generating power at non-powered U.S. dam sites using Archimedes screw turbines by integrating mechanical constraints, social impact metrics, proximity to infrastructure, and environmental sensitivity data. Results account for future precipitation predictions and show, between 2024 and 2050, the number of sites where Archimedes screw turbines are viable decreases by one site, but overall generation capacity increases due to increased flow rates across persisting locations. Our analysis identified 82 non-powered dam sites with a mean generation capacity of 49 kW that meet the mechanical requirements for Archimedes screw turbine technology in 2024. Our analysis presents a framework for considering social, environmental, and economic impacts of specific turbine technologies to convert non-powered dams to generate power.

Archimedes screw turbine↗

Source-Resolved Inversion of Elemental Carbon Emissions in California Using Log-Space Bayesian Inference

Elemental carbon (EC), operationally quantified by thermal-optical analysis, is widely used as a proxy for black carbon (BC) relevant to short-term climate forcing and public health. Current EC emission inventories remain highly uncertain, with persistent discrepancies between bottom-up and top-down estimates. In this study, we develop a source-resolved, log-space Bayesian inversion framework applied to estimate California’s statewide EC emissions in 2019. By integrating surface EC measurements from the EPA’s Air Quality System network with high-resolution source contributions simulated by a chemical transport model, we identify a one-third underestimation in the existing statewide EC inventory, requiring an increase of the total from a prior of 8.58 [5.49–13.75] Gg year–1 to a posterior estimate of 12.78 [10.71–15.37] Gg year–1. This discrepancy is primarily driven by substantial underestimations in the power and industrial and off-road mobile sectors. Furthermore, population-weighted exposure analysis reveals a marked sectoral divergence between emission mass and health burden: off-road mobile sources dominate both emissions and exposure, accounting for 31% of statewide exposure, while residential wood combustion contributes 26% of total exposure despite comprising only 19% of total emissions, due to its source proximity to population. These findings underscore the need to update sector-specific EC speciation profiles and demonstrate that mitigation strategies targeting off-road mobile sources and residential wood combustion are critical for reducing EC-related health impacts in California.

Zhang, Jie↗

Overview of preparation for the American WAKE ExperimeNt (AWAKEN)

The American WAKE ExperimeNt (AWAKEN) is a multi-institutional field campaign focused on gathering critical observations of wind farm–atmosphere interactions. These interactions are responsible for a large portion of the uncertainty in wind plant modeling tools that are used to represent wind plant performance both prior to construction and during operation and can negatively impact wind energy profitability. The AWAKEN field campaign will provide data for validation, ultimately improving modeling and lowering these uncertainties. The field campaign is designed to address seven testable hypotheses through the analysis of the observations collected by numerous instruments at 13 ground-based locations and on five wind turbines. The location of the field campaign in Northern Oklahoma was chosen to leverage existing observational facilities operated by the U.S. Department of Energy Atmospheric Radiation Measurement program in close proximity to five operating wind plants. The vast majority of the observations from the experiment are publicly available to researchers and industry members worldwide, which the authors hope will advance the state of the science for wind plants and lead to lower cost and increased reliability of wind energy systems.

17 WIND ENERGY↗

Nonlinear wavepacket dynamics in proximity to a stationary inflection point

A stationary inflection point (SIP) in the Bloch dispersion relation of a periodic waveguide is an exceptional point degeneracy where three Bloch eigenmodes coalesce, forming the so-called frozen mode with a divergent amplitude and vanishing group velocity of its propagating component. For this work, we have developed a theoretical framework to study the time evolution of wavepackets centered at an SIP. Analysis of the evolution of the statistical moment distribution of linear pulses shows a strong deviation from the conventional ballistic wavepacket dynamics in dispersive media. The presence of nonlinear interactions dramatically changes the situation, resulting in a mostly ballistic propagation of nonlinear wavepackets with the speed and even the direction of propagation essentially dependent on the wavepacket amplitude. Such a behavior is unique to nonlinear wavepackets centered at an SIP and can be used for the realization of a novel family of beam power routers for classical waves.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tornadoes in Southeast South America: Mesoscale to Planetary-Scale Environments

Abstract A multiscale analysis of the environment supporting tornadoes in southeast South America (SESA) was conducted based on a self-constructed database of 74 reports. Composites of environmental and convective parameters from ERA5 were generated relative to tornado events. The distribution of the reported tornadoes maximizes over the Argentine plains, while events are rare close to the Andes and south of Sierras de Córdoba. Events are relatively common in all seasons except in winter. Proximity environment evolution shows enhanced instability, deep-layer vertical wind shear, storm-relative helicity, reduced convective inhibition, and a lowered lifting condensation level before or during the development of tornadic storms in SESA. No consistent signal in low-level wind shear is seen during tornado occurrence. However, a curved hodograph with counterclockwise rotation is present. The Significant Tornado Parameter (STP) is also maximized prior to tornadogenesis, most strongly associated with enhanced CAPE. Differences in the convective environment between tornadoes in SESA and the U.S. Great Plains are discussed. On the synoptic scale, tornado events are associated with a strong anomalous trough crossing the southern Andes that triggers lee cyclogenesis, subsequently enhancing the South American low-level jet (SALLJ) that increases moisture advection to support deep convection. This synoptic trough also enhances vertical shear that, along with enhanced instability, sustains organized convection capable of producing tornadic storms. At planetary scales, the tornadic environment is modulated by Rossby wave trains that appear to be forced by convection near northern Australia. Madden–Julian oscillation phase 3 preferentially occurs 1–2 weeks ahead of tornado occurrence. Significance Statement The main goal of this study is to describe what atmospheric conditions (from local to global scales) are present prior to and during tornadic storms impacting southeast South America (SESA). Increasing potential for deep convection, wind shear, and potential for rotating updrafts, as well as reducing convective inhibition and cloud-base height, are predominant a few hours before and during the events in connection to low-level northerly winds enhancing moisture transport to the region. Remote convective activity near northern Australia appears to influence large-scale atmospheric circulation that subsequently triggers convective storms supporting tornadogenesis 1–2 weeks later in SESA. Our findings highlight the importance of accounting for atmospheric processes occurring at different scales to understand and predict tornado occurrences.

Meteorology & Atmospheric Sciences↗

Generalizing Reversible Triplet–Triplet Energy Transfer as a Strategy to Increase Excited-State Lifetime in Copper(I) Charge-Transfer Chromophores

In this work, we generalize reversible triplet–triplet energy transfer (TTET) as a strategy to achieve long (μs range) excited-state lifetimes in copper(I) photosensitizers of the general formula Cu(RNacNac)(CN-Ar) (RNacNac is a substituted β-diketiminate and CN-Ar is an aryl isocyanide). Six new complexes are presented where the isocyanide is substituted with a triplet–acceptor moiety─anthracene, naphthalene, or phenanthrene. In-depth photophysical analysis reveals that energetic matching of the charge-transfer ( 3 CT) and acceptor-localized 3 (π→π*) states is key to achieving long triplet excited-state lifetimes via reversible TTET. With 2-isocyanoanthracene as the acceptor ligand, 3 CT and 3(π→π*) are not energetically proximate, and irreversible quenching of 3 CT occurs. With a small 0.1–0.2 eV gap between the two triplet states, luminescence originates from the 3 CT state with a moderate excited-state lifetime of 250 or 283 ns observed. As key to the success of this approach, we demonstrate that altering the N-substituent on the RNacNac ligand modulates the energy of the 3 CT state, giving three complexes where the 3 CT and 3 (π→π*) energies are perfectly matched and the excited-state lifetimes are much longer, spanning 1.9–2.7 μs. As such, the key lesson of this work is that long triplet-state lifetimes in these compounds can be achieved by proper “mixing and matching” of the RNacNac ligand, which influences the 3 CT energy, and the triplet acceptor group which dictates the energy of the 3 (π→π*) state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydropower Potential at Non-Powered Dams: A Multi-Criteria Decision Analysis Tool based on Grid, Community, Industry, and Environmental Impacts

Non-powered dams (NPDs) are dams that do not include hydraulic turbine (hydropower) equipment. Currently, there are more than 80,000 such dams in the United States, which provide a variety of non-energy benefits, including flood control, water supply, navigation, and recreation. Approximately 500 of these NPDs are identified as having the potential to add hydropower generation (totaling up to a capacity of more than 8200 MW). A large share of investment costs and environmental impacts of dam construction have already been incurred at these NPDs. Hence, adding power to the existing dam structure is hypothesized to be achieved at a lower cost, with less risk, and a shorter timeframe than the development required for new dam construction. The abundance of NPDs, the associated environmental favorability, and cost advantages, combined with the reliability, predictability, and dispatchability of hydropower, make NPDs a strong candidate in the nation’s renewable energy portfolio. To assess the NPD to hydropower conversion potential, in this study, we developed a GIS-based multi-criterial decision analysis tool, which allows users to rank these NPDs based on the grid, community, industry, and environmental impacts (i.e., GCIE impacts). This web-based interactive tool (developed using open-source Python and JavaScript) lets the user choose from a wide range of features to define each of the GCIE impact scores through a user-friendly graphical user interface. These features are related to dam operation, hydropower generation opportunity, power market economy, social vulnerability and risk, proximity to critical infrastructure and energy generating facilities, environmental concerns (air, water, and critical habitat), and exposure to natural hazards. The overall priority score of NPDs is calculated based on user-defined weights for each of the GCIE impact scores. Besides ranking NPDs, the tool can also be used to estimate the energy-storage feasibility (battery, hydrogen, and pump-storage hydropower) at each of the potential sites.

13 HYDRO ENERGY↗

Proximity Portability and in Transit , M-to-N Data Partitioning and Movement in SENSEI [Book Chapter]

In high-performance parallel in situ processing, the term in transit processing refers to those configurations where data must move from a producer to a consumer that runs on separate resources. In the context of parallel and distributed computing on an HPC platform one of the central challenges is to determine a mapping of data from producer ranks to consumer ranks. This problem is complicated by the heterogeneity that arises in producer-consumer pairs, such as when producer and consumer codes have different levels of concurrency, different scaling characteristics, or different data models. The resulting mapping and movement of data from M producer to N consumer ranks can have a significant impact on aggregate application performance, particularly when the data consumer requires only a subset of the overall data for its task. This chapter focuses on the design considerations that underlie SENSEI’s implementation to this challenging problem. These design considerations extend the core SENSEI architecture and include ideas like the need to accommodate flexibility in the choice of different partitioning methods, the ability for a data consumer to request and receive only the subset of data needed for its particular operation, and the ability to leverage any of several different data transport tools. The idea of proximity portability, being able to use different data transport methods as part of an in transit workflow, is illustrated through the use of three different transport layers where switching from one transport tool to another is accomplished with only a configuration file change. Here, the chapter also includes a performance analysis summary showing the performance gains that are possible in terms of multiple metrics, such as memory footprint, time to solution, and amount of data moved, when using optimized partitioners in an in transit setting, gains that are made possible by the implementation shaped by specific design considerations.

Bethel, E. Wes↗

Analyzing the upscaling potential and geospatial siting of calcination-free calcium hydroxide production in the United States

This study evaluates the techno-economic feasibility and the embodied carbon dioxide intensity (eCI) of a novel process for producing nominally pure (>95 mass %) calcium hydroxide without the need for the thermal calcination of limestone. The process relies on the aqueous extraction of calcium from alkaline industrial wastes following which portlandite (Ca(OH) 2 : CH, a.k.a. slaked lime or hydrated lime) is precipitated by application of a waste-heat based thermal swing. This approach takes advantage of the temperature dependent solubility of CH at ambient pressure. We evaluated the feasibility of implementing this process in the U.S. based on the geospatial availability of waste heat and slags as a Ca-source. For the base case, the cost of production of “Low-Temperature Portlandite (LTP)” is 2-to-3 times that of traditional portlandite (~$180/tonne). The main driver of cost is the electricity demand for reverse osmosis (RO) which is used to concentrate Ca-ions in solution, and the costs of membrane replacement. Our sensitivity analysis showed that parity with the cost of production of traditional portlandite is readily achievable by selecting membranes with better durability (i.e., better pH resistance) and flux (i.e., higher permeability) without sacrificing selectivity. Significantly, LTP features an eCI that is between 40%- and - 80 % lower than its traditional counterpart when electricity is sourced from natural gas combustion or wind power, respectively. Finally, our geospatial analysis reveals that there are three areas in the U.S. with the potential for implementation of industrial-scale facilities that could produce at least 50 tonnes of pure Ca(OH) 2 per day, while achieving a production cost of ~$270 per tonne of Ca(OH) 2 , owing to the proximity between slag feedstocks and waste heat sources.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗