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DOE OSTI2023

Characterization of wind speed and directional shear at the AWAKEN field campaign site

The American wake experiment (AWAKEN) is taking place in northern Oklahoma, USA, close to the Atmospheric Radiation Measurement Southern Great Plains (ARM SGP) atmospheric observatory. The planning for the deployment of the instruments in this observational field campaign required an assessment of the wind characteristics of the site. This paper analyzes long-term data collected by instruments at the ARM SGP observatory to characterize the winds near the AWAKEN site. The analysis shows that this site experiences high wind shear and veer events with a large number of nocturnal low-level jets. A total of 7086 low-level jet wind profiles over 6 years are examined and found to be dominant from the south and southeast. Significant nocturnal wind veer is observed, which causes southerly wind near the surface to become westerly wind aloft. By identifying a strong relationship between atmospheric stability and wind shear, the wind shear at the site is predicted using the Monin–Obukhov similarity theory (MOST) and validated with the observational data collected by a scanning Doppler lidar. The results show that wind speed at a height of 91 m, a proxy hub height for wind turbines in this area, can be predicted from data collected at a height of 10 m with a bias of −0.35 and 0.65 m s−1 in unstable and stable atmospheric boundary layers, respectively. The bias of the predicted wind speed is mostly in the region of low wind speed, and wind speed above 5 m s−1 at a height of 91 m can be predicted with a bias of less than 0.2 m s−1, and the limitations of the MOST in predicting winds during the stably stratified boundary layer is well-observed.

17 WIND ENERGY↗

DOE OSTI2020

The effect of dynamic near-wake modulation on utility-scale wind turbine wake development

High-resolution field-scale experiments using flow visualization with natural snowfall and high-fidelity large eddy simulations are combined to investigate the effect of dynamic turbine operation and atmospheric conditions on wind turbine wake mixing and recovery in the wake of a 2.5 MW wind turbine. Instantaneous near-wake expansion and deflection in response to changes in blade pitch and wind direction, termed dynamic wake modulation, is quantified using both techniques, demonstrating excellent agreement. The simulations are used to extend these results by calculating the energy flux into the wake 7 rotor diameters downstream, showing that dynamic turbine-atmospheric interactions enhance mixing in the far-wake. This finding is exhibited under both uniform and turbulent inflow conditions. Under turbulent flow, a synergistic relationship is also observed between dynamic wake modulation and wake meandering, as wake recovery can be further accelerated when the two phenomena occur together. The results of this study have implications for the development of more realistic far-wake models that include the significant impact of dynamic wake modulation on wake mixing and development. Additionally, the findings from the current study can be used to develop advanced control algorithms to speed up wake breakdown and recovery, further improving wind farm efficiency.

17 WIND ENERGY↗

DOE OSTI2020

Massive neutron stars with a color superconducting quark matter core

In this work, we construct the equation of state for high-density neutron star matter at zero temperature using the two-flavor Nambu–Jona-Lasinio (NJL) model as an effective theory of QCD. We build nuclear matter, quark matter, and the mixed phases from the same NJL Lagrangian, which has been used to model free and in-medium hadrons as well as nuclear systems. A focus here is to determine if the same coupling constants in the scalar diquark and vector meson channels, which give a good description of nucleon structure and nuclear matter, can also be used for the color superconducting high-density quark matter phase. We find that this is possible for the scalar diquark (pairing) interaction, but the vector meson interaction has to be reduced so that superconducting quark matter becomes the stable phase at high densities. We compare our equation of state with recent phenomenological parametrizations based on generic stability conditions for neutron stars. We find that the maximum mass of a hybrid star, with a color superconducting quark matter core, exceeds 2.01 ± 0.04 M⊙, which is the value of the recently observed massive neutron star PSR J0348+0432. The mass-radius relation is also consistent with gravitational wave observations (GW170817).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Heterostructural Alloy Phase Diagram for (Cd 1-x Zn x ) 3 As 2

Alloying the topological semimetal Cd 3 As 2 with Zn 3 As 2 provides a potential route for controlling the electronic properties. We predict the alloy phase diagram from first-principles calculations, considering that both end members have a crystal structure derived from the antifluorite lattice, but with different arrangements of the unoccupied cation sites. To overcome the limitations of the regular solution approximation and to include short-range order effects, we perform Monte Carlo simulations, parameterize the temperature dependence of the mixing enthalpy ΔH m , and perform thermodynamic integration of the free energy. The resulting phase diagram exhibits features that are unique to heterostructural alloy systems and provides computational predictions of solubility limits and composition ranges that are stable against spinodal decomposition.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Approaching the Radiative Efficiency Limit in Perovskite Solar Cells with Scalable Defect Passivation and Selective Contacts

This award aimed to enable perovskite solar cells to approach the radiative efficiency limit in scalable manufacturing environments by controlling recombination losses, especially surface recombination losses at electrodes and interfaces. The project combined organic molecular synthesis, perovskite film processing and characterization, and spectroscopic tool development for probing recombination centers. The project ultimately achieved record-low surface recombination velocity (SRV) in mixed cation methylammonium-free perovskite thin films, demonstrated photoluminescence as an effective process metrology tool to optimizing processing of device stacks, and showed that the aminopropyltrimethoxysilane (APTMS) is suitable for passivating the exposed perovskite interface in p-i-n stack devices. The project used combinations of phosphonic acids to modify the transparent conducting oxide and APTMS to passivate the perovskite/electron transport layer interface, thereby demonstrating reduction of SRVs in both partial and full device stacks. The project showed concomitant improvements in device performance, and demonstrated that APTMS passivation was compatible with large area coating of external stakeholder perovskite films using both scalable solution and vapor methods. Notably, the project also supplied surface passivating materials to a number of other US based and SETO-funded teams.

14 SOLAR ENERGY↗

DOE OSTI2020

COMBLE-ISLAS water isotopes in precipitation (COMBLEISLASISO)

During the measurement period, precipitation was sampled on daily to sub-daily basis with a sampling kit consiting of a clear plastic box (60x40x40 cm) mounted to a ground structure. Daily sampling lasted from 22 Feb to 24 Mar 2020. At a fixed time of day (10 UTC), samples were collected and the sampling box cleaned for the next sample. Additionally, during intense observations periods (IOPs) announced by ISLAS, ARMS scientists increased sampling frequency to sub-daily sampling. During the campaign period, 2 IOPs were conducted, with in total 12 samples taken. IOP1 lasted from 27 Feb 10 to 02 Mar 2020, and IOP2 lasted from 12 Mar to 14 Mar 2020. Solid precipitation in the box was then melted, transferred to an 8 ml glass vial, sealed and shipped to FARLAB (University of Bergen, Norway) for stable water isotope analysis. Measured stable isotope composition of precipitation samples will be related to conditions at other sampling locations, and at the evaporation site to inform about conservation of water isotope quantities. In the period from 22 Feb to 24 Mar, 23 daily samples were collected at 10 UTC for stable water isotope analysis. During the entire sampling period, a high variability of precipitation phase was encountered. Most samples were recovered in the form of graupel/snow (12 samples), as rain (7 samples), and the remaining samples fell as graupel, snow, rain or frozen rain. Precipitation amounts varied between <1 mm (26 Feb) and 140 mm (25 Feb) within the sampling box. Furthermore, higher-resolution sampling was conducted during 2 intense observation periods (IOPs). During IOP1, lasting from 27 Feb 10 UTC to 02 Mar 10 UTC, 7 samples were collected, all of them as solid phase precipitation. IOP2 lasted from 12 Mar 10 UTC to 14 Mar 09 UTC, and 5 samples (all as graupel/snow) were collected. Samples were processed according to FARLAB standard measurement procedures. In short, samples were transferred to 1.5 ml glass vials with rubber/PTFE septa (part #548-0907, VWR, USA). An autosampler (A0325, Picarro Inc) transferred ca. 2µl per injection into a high-precision vapourizer (A0211, Picarro Inc, USA) heated to 110°C. After blending with dry N2 (< 5 ppm H2O) the gas mixture was directed into the measurement cavity of a Cavity-Ring Down Spectrometer (L2140-i, Picarro Inc) for about 7 min with a typical water concentration of 20 000 ppm. Memory effects were reduced by two times measuring a vapour mixture at a mixing ratio of 50 000 ppm, obtained from 2 injections of 2 µl for 5 min at the beginning of each new sample vial. Thereafter, another 6 injections of 2 µl per sample were measured individually as described above, and averages of the last 5 injections were used for further processing. Three standards were measured at the beginning and end of each batch, including a drift standard DI2 (δD: -50.72±0.73 permil, δ18O: -7.63±0.10 permil), and for calibration the laboratory standards GLW (δD: -307.79±0.75 permil, δ18O: -40.02±0.07 permil) and EVAP2 (δD: 9.52±0.65 permil, δ18O: 1.81±0.13 permil). A detailed calibration report is included with the final uploaded data set.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Species-specific acoustic responses by bats to ultrasonic stimuli used for reducing bat-wind turbine interactions

An unintended consequence of wind energy generation is bat fatalities caused by wind turbine blade strikes. One potential approach to reduce collision risk is to use ultrasound to create an uncomfortable or disorienting airspace around wind turbine blades. Ultrasonic deterrents (UDs) have produced mixed results in experimental field studies at commercial wind energy facilities, with effectiveness varying by species and location. It is possible that some species can alter their normal echolocation characteristics to counter the signal of UDs. Our broad objective was to maximize the effectiveness of a UD by comparing changes in echolocation characteristics during three UD frequency emissions among species, between seasons, and between sex. We hypothesized that UD emissions with frequencies most similar to each species’ echolocation characteristics would be more likely to alter the bats’ echolocation, and bat responses would vary between seasons and sex for each species. We released wild-captured bats into a 60 m × 10 m × 4.4 m (length × width × height) flight cage located in San Marcos, Texas, USA, from July to October 2020 and March to May 2021 and monitored echolocation frequencies with ultrasonic microphones. We conducted trials on Brazilian free-tailed bats ( Tadarida brasiliensis ; n = 54), cave myotis ( Myotis velifer ; n = 44), red bats ( Lasiurus blossevilli , Lasiurus borealis ; n = 41), evening bats ( Nycticeius humeralis ; n = 32), and tricolored bats ( Perimyotis subflavus ; n = 8). We found that species with high-frequency echolocation calls altered their echolocation signatures more commonly during high-frequency UD emissions, whereas low-frequency bats altered their echolocation signatures more commonly during low-frequency UD emissions. Additionally, echolocation responses varied between seasons and sexes for several species. Variations in responses may be dependent on species migratory status, differences in mating behavior and mating season, hormonal differences between sexes and seasons, and/or constraints on echolocation adaptability. Our results offer insights into the variable effectiveness of UDs at reducing bat fatalities at wind turbines and provide information for potential adjustments to UDs for improved success.

17 WIND ENERGY↗

DOE OSTI2021

Pilot-Scale Testing of an Integrated Circuit for the Extraction of Rare Earth Minerals and Elements from Coal and Coal Byproducts Using Advanced Separation Technologies

The primary objective of this project was to develop and demonstrate an integrated pilot-scale circuitry for recovering high-value rare earth elements (REEs) from coal and coal byproducts. The target performance was to produce a mixed REE product with content of at least two percent by weight on a dry mass basis in a cost-effective and environmentally benign manner. During the first nine months of the project period (Phase 2 Budget Period 2), pilot plant construction was completed including all field site startup activities such as permitting, engineering design, procurement/bidding, unit fabrication, site construction, equipment installation, module assembly, safety training, and circuit shakedown. During the remaining 21 months of project period (Phase 2 Budget Period 3), detailed field-testing activities were performed including feedstock sample collection and preparation, exploratory testing, circuit modification, detailed parametric study, and performance optimization. A detailed techno-economic analysis was performed based on the pilot plant testing findings which provided various scenarios for REE production. The project successfully accomplished the proposed target performance by producing mixed rare earth oxide (REO) with greater than 90% purity by weight in a continuous pilot scale operation from two distinctly different coarse refuse materials (i.e., West Kentucky No. 13 and Fire Clay coal seams), and at least three secondary sources (i.e., heap leach process and naturally formed acid mine drainage system). Project partners included the University of Kentucky, Virginia Tech, West Virginia University, Alliance Coal, Blackhawk Mining, Mineral Refining Company, and Mineral Separation Technologies. The pilot scale test facility was constructed at a former mining complex owned by Alliance Natural Resource Partners (Alliance Coal). The site was rehabilitated to accommodate the equipment installation, construction and fabrication, electrical power requirement, water line management and containment. The process units constructed and installed included X-ray sorting unit, crushing and grinding unit, physical separation unit, acid leaching unit, solvent extraction unit, and wastewater management unit. A rare earth mineral concentration unit was constructed as a standalone unit for flexible operation. A detailed environmental assessment and control plan was carried out to identify and quantify any potential impacts of the pilot-scale processing circuitry on the human and eco-system health and well-being. Corresponding mitigation strategies and control measures were provided. A conceptual flowsheet was developed to effectively remove thorium and uranium from high purity rare earth oxide mix or any potential radionuclide enriched stream. The two distinct feedstock materials were secured from the Blackhawk Mining Complex in eastern Kentucky where the Fire Clay (Hazard No. 4) seam is processed. The West Kentucky No. 13 (Baker) coarse refuse material was collected from an active process stream at an Alliance coal preparation plant located in western Kentucky. Characterization analysis indicated that both of feed materials generated from the two sources contained >300 ppm of TREEs on a dry whole mass basis which met the requirements for a qualified feed stock. The two feedstocks were further upgraded using a dual x-ray sorter to prepare the feed material for hydrometallurgical circuit. Thermal treatment on feed material prior to leaching was found to: 1) improve the leaching recovery of REEs, 2) increase the leaching kinetics, and 3) allow the leaching reaction to occur at lower acidity. Roasting at 600°C was selected as the pre-treatment condition for both West Kentucky No. 13 and Fire Clay coarse refuse material. Over 40% of leaching recovery was achieved by roasting West Kentucky No. 13 material having a top particle size of 3 mm in the pilot scale operation using 1.2M sulfuric acid leaching at 75OC. Initial pilot scale testing involved continuous operation of the pilot plant for 94 hours. The leaching unit was operated at solid-to-liquid ratio of 1 to 10 (w/v) using 0.5M sulfuric acid solution at a temperature of 75°C. The continuous solvent extraction circuit utilized rougher and cleaner units with DEHPA and TBP as the extractants. An innovative stripping circuit was developed to accumulate the REE concentration in the stripping solution to a level above 600 ppm. A bleed stream from the recycled strip solution was treated using oxalic acid precipitation which produced a high grade rare earth oxalate. The oxalate product was roasted to remove the oxalate which produced a rare earth oxide product having a purity greater 90%. Due to high concentrations of contaminant ions in the pregnant leach solution (PLS), a modified flowsheet was developed that involved pre-concentration of the REEs using multiple stages of precipitation and redissolution. The advantage of this process was improved removal of contamination before the downstream purification process and a significant cost reduction relative to the circuit that utilized the solvent extraction process. The modified circuitry included processes involving leaching, multistage precipitation, redissolution, and oxalate precipitation followed by roasting of the oxalate product. The circuit produced a mixed REO that was 92.96% pure from the initial test. A detailed parametric test plan was carried out which involved varying key parameters including solids feed rate, acid flowrate, acid concentration, multistage precipitation pH, redissolution pH, oxalate precipitation dosage and pH. The response variables included REE recovery, contaminant recovery, REO product grade and overall chemical consumption. Test results indicated that the acid-to-solid ratio is the key parameter to leaching efficiency as performance deteriorated with an increase in solids concentration. The optimal pH determined for REE precipitation and redissolution was 6.5 and 2.5, respectively. Additional tests were conducted to further improve the flowsheet. Recirculating a portion of the PLS to the feed of the leach tanks improved the leaching performance by lowering the pH of the leaching system and reducing the contamination recovery by shortening the residence time. Moreover, the removal of Al prior to REE precipitation significantly reduced the oxalic acid consumption in the oxalate precipitation circuit. The modified circuit produced over 90% grade REO by weight from both West Kentucky No. 13 and Fire Clay coarse refuse material in pilot scale continuous test programs. A case analysis model was developed to project the REE and major contaminants concentration in each PLS stream based on the leaching condition, pH cut point, and oxalic acid dosage. A correlation was established using empirical and semi-empirical models. Using the models, chemical consumption required for each stage was predicted based on the projected performance of the hydrometallurgy circuit. After identifying the optimum conditions, validation tests were carried out for the treatment of both West Kentucky No. 13 and Fire Clay coarse refuse materials in the pilot plant. The actual circuit performance and chemical consumptions were very close to the model predictions. Other than the two coarse refuse sources, several secondary feedstocks were also tested in the pilot plant facility. A “heap leach” system was constructed using the coarse refuse material generated from cleaning the West Kentucky No. 13 seam coal. Using the two stage SX rougher and cleaner circuit, a concentrate with a grade >90% REO was produced while recovering >97% of the REEs from the heap leach PLS. Naturally generated acid mine drainage (AMD) from West Kentucky No.13 mine was processed using the multistage precipitation circuit in the pilot plant in a test conducted for a period of 32 hours. The final grade of the mix RE oxide produced from the AMD was 90.84% with an overall circuit recovery of 64%. The primary source of REE was the selective precipitation steps involving iron and aluminum rejection. The hydrophobic-hydrophilic separation (HHS) process was proven to effectively recover coal from fine waste materials. For REM recovery, the HHS process was able to produce concentrates at grades of approximately 1.8% REE on an ash basis; however, recovery values were typically low, <10%, under the optimal conditions determined in the laboratory-scale testing. Staged testing of the pilot-scale HHS process for coal recovery and semi-continuous laboratory testing for REM testing showed that a total concentration ratio of more than 15x was observed for the REM recovery process. A circuit simulation package was developed for REE extraction and purification using a spreadsheet-based platform (Microsoft Excel). The REESim circuit simulation package is configured to track the mass and volume flows of components passing through a series of unit operations specified and configured by the user. The mass rates can then be utilized by the user to determine important performance indicators such as product mass yields, concentrate purity levels, element-by-element recoveries, and so forth. The techno-economic analysis showed that the roasting and leaching operations were the most expensive capital items, each contributing approximately 30% to the total capital cost. One notable contributor to the high production costs was the low REE recovery observed in the pilot scale trials. The product basket price was shown to have a strong influence on the economic viability of the scenarios, with the scandium price being the most significant influencer. Operating cost was shown to be extremely sensitive to REE recovery, REE feed grade, and leaching acid consumption. An analysis of ten different scenarios for a 500 t/h commercial operation revealed that three were economically favorable, producing internal rates of return varying from 27.7% to 33.1% and payback periods of 4 to 5 years. The project successfully developed and demonstrated a process to recover REEs from coal and coal byproducts in a pilot-plant operation which consistently produced over 90% grade REO mix from varies types of feedstocks. Commercialization analysis showed that the technology readiness level successfully achieved TRL 6 at the end of the project and demonstrated the need and the potential for scaling the process to further advance the technologies toward the goal of providing a domestic supply of REEs at a commercial scale.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2023

Aligning Standards Communities for Omics Biodiversity Data: Sustainable Darwin Core-MIxS Interoperability

The standardization of data, encompassing both primary and contextual information (metadata), plays a pivotal role in facilitating data (re-)use, integration, and knowledge generation. However, the biodiversity and omics communities, converging on omics biodiversity data, have historically developed and adopted their own distinct standards, hindering effective (meta)data integration and collaboration. In response to this challenge, the Task Group (TG) for Sustainable DwC-MIxS Interoperability was established. Convening experts from the Biodiversity Information Standards (TDWG) and the Genomic Standards Consortium (GSC) alongside external stakeholders, the TG aimed to promote sustainable interoperability between the Minimum Information about any (x) Sequence (MIxS) and Darwin Core (DwC) specifications. To achieve this goal, the TG utilized the Simple Standard for Sharing Ontology Mappings (SSSOM) to create a comprehensive mapping of DwC keys to MIxS keys. This mapping, combined with the development of the MIxS-DwC extension, enables the incorporation of MIxS core terms into DwC-compliant metadata records, facilitating seamless data exchange between MIxS and DwC user communities. Through the implementation of this translation layer, data produced in either MIxS- or DwC-compliant formats can now be efficiently brokered, breaking down silos and fostering closer collaboration between the biodiversity and omics communities. To ensure its sustainability and lasting impact, TDWG and GSC have both signed a Memorandum of Understanding (MoU) on creating a continuous model to synchronize their standards. These achievements mark a significant step forward in enhancing data sharing and utilization across domains, thereby unlocking new opportunities for scientific discovery and advancement.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Graviton-photon oscillations in an expanding universe

Through the Gertsenshtein effect, the presence of a large external B-field may allow photons and gravitons to mix in a way that resembles neutrino oscillations and is even more similar to axion-photon mixing. Assuming a background B-field (or any field that behaves like one), we examine the Gertsenshtein mechanism in the context of FLRW expanding universe models, as well as de Sitter space. The conformal invariance of Maxwell’s equations and the conformal noninvariance of the Einstein equations preclude the operation of the Gertsenshtein effect at all scales. In general we find for the matter- and radiation-dominated cases, graviton-oscillations are possible only at late conformal times or when the wavelengths are much shorter than the horizon (kn $\gg$ 1), but that the time-dependent oscillations eventually damp out in any case. Further, the presence of charged particles additionally damps out the oscillations. For the de Sitter universe, we find that oscillations are possible only at early conformal times (n $\ll$ H -1 ) and for wavelengths short compared to the Hubble radius, but eventually freeze in when wavelengths become longer than the Hubble radius. In principle a Gertsenshtein-like mechanism might influence the balance of particle species in an inflationary phase before freezing in; however, we find that in all our models the mixing length is larger than the Hubble radius. We discuss several possible remedies to this situation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Rayleigh–Taylor and Richtmyer–Meshkov instabilities: A journey through scales

Hydrodynamic instabilities such as Rayleigh–Taylor (RT) and Richtmyer–Meshkov (RM) instabilities usually appear in conjunction with the Kelvin–Helmholtz (KH) instability and are found in many natural phenomena and engineering applications. They frequently result in turbulent mixing, which has a major impact on the overall flow development and other effective material properties. This can either be a desired outcome, an unwelcome side effect, or just an unavoidable consequence, but must in all cases be characterized in any model. The RT instability occurs at an interface between different fluids, when the light fluid is accelerated into the heavy. The RM instability may be considered a special case of the RT instability, when the acceleration provided is impulsive in nature such as that resulting from a shock wave. Here in this pedagogical review, we provide an extensive survey of the applications and examples where such instabilities play a central role. First, fundamental aspects of the instabilities are reviewed including the underlying flow physics at different stages of development, followed by an overview of analytical models describing the linear, nonlinear and fully turbulent stages. RT and RM instabilities pose special challenges to numerical modeling, due to the requirement that the sharp interface separating the fluids be captured with fidelity. These challenges are discussed at length here, followed by a summary of the significant progress in recent years in addressing them. Examples of the pivotal roles played by the instabilities in applications are given in the context of solar prominences, ionospheric flows in space, supernovae, inertial fusion and pulsed-power experiments, pulsed detonation engines and Scramjets. Progress in our understanding of special cases of RT/RM instabilities is reviewed, including the effects of material strength, chemical reactions, magnetic fields, as well as the roles the instabilities play in ejecta formation and transport, and explosively expanding flows. The article is addressed to a broad audience, but with particular attention to graduate students and researchers who are interested in the state-of-the-art in our understanding of the instabilities and the unique issues they present in the applications in which they are prominent.

42 ENGINEERING↗

DOE OSTI2025

Freestream turbulence effects on unsteady wind turbine loads and wakes: An IDDES study

We investigate numerically the effects of freestream turbulence on the unsteady aerodynamics and wakes of the National Renewable Energy Laboratory Phase VI wind turbine rotor for increasing wind speed. Turbulence is modeled using the Improved Delayed Detached-Eddy Simulation (IDDES) method. As a first step, a detailed mesh resolution study is conducted with the decaying freestream turbulence model at turbulence intensity of 0.5%. Our blade-resolved IDDES simulations show that grid-independent average torque and thrust results can be achieved with relatively coarse meshes, whereas dramatically higher mesh resolution is required for grid-independent results for power spectral densities of thrust force, especially in the deep-stall regime. Comparing the loads with the Shear-Stress Transport model demonstrates the superiority of IDDES in predicting massively separated flows. The aerodynamic performance and wake predictions with the decaying freestream turbulence model are compared with the synthetic freestream turbulence model. Both models predict nearly the same loads, spectral energy content, and wake characteristics. The properties of both the near- and far-wake regions are then examined. Furthermore, we show that separated boundary layers accelerate turbulent mixing and entrainment of the external flow, which results in faster wake recovery. The effect of increasing turbulence intensity to 6% is investigated using the synthetic freestream turbulence model. In contrast with the fully attached boundary layer, higher freestream turbulence in deep stall does not significantly affect the loads and vortex-shedding characteristics. However, the turbulent mixing in the wake is enhanced, which further hastens the recovery of the self-similar velocity profile. In general, increasing the wind speed at high turbulence intensity shifts the recovery farther upstream and increases the wake width.

17 WIND ENERGY↗

DOE OSTI2021

Pure- and mixed-gas transport properties of a microporous Tröger's Base polymer (PIM-EA-TB)

Polymers of intrinsic microporosity (PIMs) offer tantalizing combinations of high selectivity and permeability in initial gas permeation measurements. Here, we report characterization of pure- and mixed-gas permeation properties of a thick (~80 μm) PIM consisting of Tröger's Base (TB) and Ethanoanthracene (EA) films. The effects of feed pressure and temperature on pure-gas permeabilities of CH 4 , N 2 , O 2 , H 2 , and CO 2 were investigated. The physical aging behavior of the thick film was tracked via pure-gas O 2 , N 2 , and CH 4 permeability at 35 °C. Gas permeability decreased noticeably and selectivity increased as aging time increased. Particular attention was given to mixed-gas measurements of CO 2 and CH 4 (50/50) permeabilities at 35 °C and fugacities ranging from 2 to 18 atm to explore whether the rigid, bridged, bicyclic TB and EA units could resist CO 2 -induced plasticization. These results are presented along with pure-gas CO 2 and CH 4 results for membrane samples aged at different times. PIM-EA-TB aged for ~24 h did not show signs of plasticization across the fugacity range considered. Furthermore, dual-mode competitive sorption presumably caused the CO 2 /CH 4 mixed-gas selectivity to be slightly higher than its corresponding pure-gas selectivity. However, as aging time increased, aged films underwent progressively more rapid and extensive CO 2 -induced plasticization with increasing fugacity, suggesting a systematic relationship between physical aging and plasticization in PIMs. Consequently, physical aging caused less improvement in mixed-gas CO 2 /CH 4 selectivity than it did in pure-gas selectivity, due mainly to plasticization effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Convective Boundary-Layer Spatial Heterogeneity Experiment Field Campaign Report

Earth system models (ESMs) require accurate heat, mass, and momentum exchanges between components, which requires accurate observations and modeling of the atmospheric boundary layer. Over the land, the daytime convective atmospheric boundary layer (CBL, also called the convective mixing layer) develops and evolves daily, driven by solar surface heating. Doppler lidar (DL) measurements of vertical velocities provide an effective way to document the diurnal cycle of CBL (Chu et al. 2023). With the support of the U.S. Department of Energy (DOE) Atmospheric Research (ASR) program, we studied convective mixing-layer heights (MLH) across multiple DOE Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) observatory sites based on DL measurements.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Reliability Analysis of Power Grids Considering Component Failures of Variable Energy Resources

This paper proposes an improved model for the reliability assessment of power systems considering component failures of variable energy resources (VER). The inherent intermittency of VER such as solar photovoltaic (PV) and wind farms, along with their susceptibility to component failures, present significant challenges to reliable system operation. These issues, combined with power grid operation and network constraints, complicate the reliable operation of VER-integrated power systems. Here, to address these concerns, this paper introduces a reliability assessment framework that considers VER input variability, its impact on component availability, and their resulting impact on overall system reliability. Stochastic models based on discrete Markov processes are developed to incorporate variable irradiance, wind speeds, and their effects on PV and wind component failure rates. A next-event and state transition-based approach is then developed to integrate the stochastic models into a mixed-timing sequential Monte Carlo simulation framework for composite reliability assessment. Case studies on the RTS-GMLC system demonstrate the effectiveness of the proposed model in evaluating the reliability of VER-integrated systems.

Pandit, Dilip [Sandia National Laboratories (SNL-N↗

DOE OSTI2024

Pressure stability in explicitly coupled simulations of poromechanics with application to CO 2 sequestration

We study in detail the pressure stabilizing effects of the non-iterated fixed-stress splitting in poromechanical problems which are nearly undrained and incompressible. When applied in conjunction with a spatial discretization which does not satisfy the discrete inf–sup condition, namely a mixed piecewise linear–piecewise constant spatial discretization, the explicit fixed-stress scheme can have a pressure stabilizing effect in transient problems. This effect disappears, however, upon time step refinement or the attainment of steady state. The interpretation of the scheme as an Augmented Lagrangian method similar to Uzawa iteration for incompressible flow helps explain these results. Moreover, due to the slowly evolving solution within undrained seal regions, we show that the explicit fixed-stress scheme requires very large time steps to reveal its pressure stabilizing effect in examples of geologic CO 2 sequestration. We note that large time steps can result in large errors in drained regions, such as the aquifer or reservoir regions of these examples, and can prevent convergence of nonlinear solvers in the case of multiphase flows, which can make the explicit scheme an unreliable source of pressure stabilization. We conclude by demonstrating that pressure jump stabilization is as effective in the explicit fixed-stress setting as in the fully implicit setting for undrained problems, while maintaining the stability and convergence of the fixed-stress split for drained problems.

58 GEOSCIENCES↗

DOE OSTI2025

Alloying multiple halide perovskites on the same sublattice in search of stability and target band gaps

Single-component halide perovskites (HPs) rarely satisfy all the necessary criteria for optoelectronic applications, such as achieving an optimal band gap while maintaining high chemical and structural stability. Alloying halide perovskites has emerged as a promising strategy, not only to enhance stability but also to fine-tune their electronic and optical properties. In this work, we explore multiple degrees of freedom in alloy design, considering different substitution sublattices sites (A, B, or X in ABX3 perovskites), various chemical species (isovalent and hetero-valent elements), and multi-component compositions on a given sublattice. Using first-principles calculations based on density functional theory (DFT), we investigate how compositional variations influence the electronic (band gap) and structural properties (mixing enthalpy) of HP alloys. Our approach employs the polymorphous cell model, allowing full local relaxation which breaks local symmetry while preserving global cubic symmetry—an essential framework for accurately modeling HPs. Our results reveal that X-site mixing (halogen substitution) primarily affects the valence band maximum, allowing target band gap engineering. Additionally, variations in halogen radii introduce internal strain through octahedral distortions, influencing the mixing enthalpy. A-site substitution, while not directly contributing to the band edge states, modifies structural stability via volume effects, indirectly impacting the band gap. B-site alloying plays a dominant role in band gap modulation, leading to either positive or negative band gap bowing. Specifically, isovalent B-site mixing (Sn–Pb) induces strong positive bowing, where the alloy band gap is smaller than the average gap of parent compounds, whereas hetero-valent mixing (Cd–Pb) results in pronounced negative bowing. As an aside, we investigate the competition between the excess energy of disordered alloys vs. that of long-range ordered double perovskites of the same compositions, seeking examples of ordered phases emerging from disordered alloys. Furthermore, our findings provide fundamental insights into the electronic and structural behavior of HP alloys, offering valuable design principles for the development of stable and efficient materials for next-generation photovoltaic and optoelectronic devices.

14 SOLAR ENERGY↗

DOE OSTI2022

Real-Time Monitoring of Gas-Phase and Dissolved CO 2 Using a Mixed-Matrix Composite Integrated Fiber Optic Sensor for Carbon Storage Application

Novel chemical sensors that improve detection and quantification of CO 2 are critical to ensuring safe and cost-effective monitoring of carbon storage sites. Fiber optic (FO) based chemical sensor systems are promising field-deployable systems for real-time monitoring of CO 2 in geological formations for long-range distributed sensing. Here, a mixed-matrix composite integrated FO sensor system was developed with a purely optical readout that reliably operates as a detector for gas-phase and dissolved CO 2 . A mixed-matrix composite sensor coating consisting of plasmonic nanocrystals and hydrophobic zeolite embedded in a polymer matrix was integrated on the FO sensor. The mixed-matrix composite FO sensor showed excellent reversibility/stability in a high humidity environment and sensitivity to gas-phase CO 2 over a large concentration range. This remarkable sensing performance was enabled by using plasmonic nanocrystals to significantly enhance the sensitivity and a hydrophobic zeolite to effectively mitigate interference from water vapor. The sensor exhibited the ability to sense CO 2 in the presence of other geologically relevant gases, which is of importance for applications in geological formations. A prototype FO sensor configuration which possesses a robust sensing capability for monitoring dissolved CO 2 in natural water was demonstrated. Reproducibility was confirmed over many cycles, both in a laboratory setting and in the field. More importantly, we demonstrated on-line monitoring capabilities with a wireless telemetry system, which transferred the data from the field to a website. The combination of outstanding CO 2 sensing properties and facile coating processability makes this mixed-matrix composite FO sensor a good candidate suitable for practical carbon storage applications.

54 ENVIRONMENTAL SCIENCES↗