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DOE OSTI2025

Experimental Characterization of High-Surface Area Thermal Energy Storage

There is growing interest in energy storage technologies due to the expansion of renewable energy sources that are inherently intermittent and the increasing frequency of extreme weather events that disturb the power grid. Power consumption in buildings makes up approximately 76% of all electricity usage on the grid and is primarily used for thermal applications such as space conditioning, hot water, and cooking. This makes thermal energy storage (TES) an ideal solution for many of these applications. Many TES technologies rely on latent energy storage, which utilizes the melting/solidification of phase change materials (PCM) to store energy. Typically, TES designs suffer from low power density due to their low inherent thermal conductivity. This limitation makes the deployment of TES in active applications difficult as the ease of access to energy is essential for effective use. Common routes for improving power density include high thermal conductivity additives or extended features such as fins that increase cost. This study presents an alternative approach to improving performance through increasing the overall surface area to volume ratio of the device, to increase the available area for convection to occur between the working fluid and PCM. In the study a commercial PCM was selected with a transition temperature ideal for space heating applications. The heat exchanger design utilizes a unique application of triply periodic minimal surfaces (TPMS) for macro-encapsulation of the PCM. The use of TPMS for heat exchangers has been growing in interest due to their high-surface area to volume ratios, which were previously unmanufacturable until the development of additive manufacturing. A modular system was designed and manufactured with a stereolithography resin printing system that is then backfilled with PCM. An experiment test set-up is designed to test the charge and discharge performance of the thermal storage using a conditioned air stream. The pressure drop of the design is tested across a variety of flow rates. When compared to existing experimental data within literature, there is excellent agreement based on the Reynolds number at similar hydraulic diameters. Several inlet temperatures are tested at consistent temperature differences from the phase change temperature for both charging and discharging. Additionally, the volumetric flow rate is varied for each temperature set point. It was found that increasing flow rate had diminishing returns in reducing the overall charge time of the TES. The temperature delta from the melting temperature was the primary contributor to the change in average heat flux with limited variation in average heat transfer rate between charging and discharging at similar inlet temperatures and flow rates. The TPMS heat exchanger design has a high air-side pressure drop but it provides high heat transfer rates. This helps maintain a high outlet temperature during discharge, which is important to thermal comfort applications. The design, manufacturing, and experimental characterization of the TES device will be presented as part of this study.

25 ENERGY STORAGE↗

DOE OSTI2023

HarDWR - Harmonized Water Rights Records

Economics↗

DOE OSTI2024

HarDWR - Harmonized Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. Here we present a new dataset of western U.S. water rights records. This dataset provides consistent unique identifiers for each spatial unit of water management across the domain, unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of 7 broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of intersectoral water allocation changes through water markets (Grogan et al., in review). Specifically, the data were formatted for use as input to a process-based hydrologic model, WBM, with a water rights module (Grogan et al., in review). While this specific study motivated the development of the database presented here, U.S. west water management is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al, 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. west. The raw downloaded data for each state is described in Lisk et al. (in review), as well as here. The dataset is a series of various files organized by state sub-directories. The first two characters of each file name is the abbreviation for the state the in which the file contains data for. After the abbreviation is the text which describes the contents of the file. Here is each file type described in detail: XXFullHarmonizedRights.csv: A file of the combined groundwater and surface water records for each state. Essentially, this file is the merging of XXGroundwaterHarmonizedRights.csv and XXSurfaceWaterHarmonizedRights.csv by state. The column headers for each of this type of file are: state - The name of the state the data comes from. FIPS - The two-digit numeric state ID code. waterRightID - The unique identifying ID of the water right, the same identifier as its state uses. priorityDate - The priority date associated with the right. origWaterUse - The original stated water use(s) from the state. waterUse - The water use category under the unified use categories established here. source - Whether the right is for surface water or groundwater. basinNum - The alpha-numeric identifier of the WMA the record belongs to. CFS - The maximum flow of the allocation in cubic feet per second (ft3s-1). Arizona is unique among the states, as its surface and groundwater resources are managed with two different sets of boundaries. So, for Arizona, the basinNum column is missing and instead there are two columns: surBasinNum - The alpha-numeric identifier of the surface water WMA the record belongs to. grdBasinNum - The alpha-numeric identifier of the groundwater WMA the record belongs to. XXStatePOD.shp: A shapefile which identifies the location of the Points of Diversion for the state's water rights. It should be noted that not all water right records in XXFullHarmonizedRights.csv have coordinates, and therefore may be missing from this file. XXStatePOU.shp: A shapefile which contains the area(s) in which each water right is claimed to be used. Currently, only Idaho and Washington provided valid data to include within this file. XXGroundwaterHarmonizedRights.csv: A file which contains only harmonized groundwater rights collected from each state. See XXFullHarmonizedRights.csv for more details on how the data is formatted. XXSurfaceWaterHarmonizedRights.csv: A file which contains only harmonized surface water rights collected from each state. See XXFullHarmonizedRights.csv for more details on how the data is formatted. Additionally, one file, stateWMALabels.csv, is not stored within a sub-directory. While we have referred to the spatial boundaries that each state uses to manage its water resources as WMAs, this term is not shared across all states. This file lists the proper name for each boundary set, by state. For those whom may be interested in exploring our code more in depth, we are also making available an internal data file for convenience. The file is in .RData format and contains everything described above as well as some minor additional objects used within the code calculating the cumulative curves. For completeness, here is a detailed description of the various objects which can be found within the .RData file: states: A character vector containing the state names for those states in which data was collected for. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the third index in this object, the data for California will also be in the third index for each accompanying list. rightsByState_ground: A list of data frames with the cleaned ground water rights collected from each state. This object holds the the data that is exported to created the xxGroundwaterHarmonizedRights.csv files. rightsByState_surface: A list of data frames with the cleaned surface water rights collected from each state. This object holds the the data that is exported to created the xxSurfaceWaterHarmonizedRights.csv files. fullRightsRecs: A list of the combined groundwater and surface water records for each state. This object holds the the data that is exported to created the xxFullHarmonizedRights.csv files. projProj: The spatial projection used for map creation in the beginning of the project. Specifically, the World Geodetic System (WGS84) as a coordinate reference system (CRS) string in PROJ.4 format. wmaStateLabel: The name and/or abbreviation for what each state legally calls their WMAs. h2oUseByState: A list of spatial polygon data frames which contain the area(s) in which each water right is claimed to be used. It should be noted that not all water right records have a listed area(s) of use in this object. Currently, only Idaho and Washington provided valid data to be included in this object. h2oDivByState: A list of spatial points data frames which identifies the location of the Point of Diversion for the state's water rights. It should be noted that not all water right records have a listed Point of Diversion in this object. spatialWMAByState: A list of spatial polygon data frames which contain the spatial WMA boundaries for each state. The only data contained within the table are identifiers for each polygon. It is worth reiterating that Arizona is the only state in which the surface and groundwater WMA boundaries are not the same. wmaIDByState: A list which contains the unique ID values of the WMAs for each state. plottingDim: A character vector used to inform mapping functions for internal map making. Each state is classified as either "tall" or "wide", to maximize space on a typical 8x11 page. The code related to the creation of this dataset can be viewed within HarDWR GitHub Repository/dataHarmonization.

Economics↗

DOE OSTI2021

New Perspectives on the Exoplanet Radius Gap from a Mathematica Tool and Visualized Water Equation of State

Recent astronomical observations obtained with the Kepler and TESS missions and their related ground-based follow-ups revealed an abundance of exoplanets with a size intermediate between Earth and Neptune (1 R ⊕ ≤ R ≤ 4 R ⊕ ). A low occurrence rate of planets has been identified at around twice the size of Earth (2 × R ⊕ ), known as the exoplanet radius gap or radius valley. We explore the geometry of this gap in the mass–radius diagram, with the help of a Mathematica plotting tool developed with the capability of manipulating exoplanet data in multidimensional parameter space, and with the help of visualized water equations of state in the temperature–density (T–ρ) graph and the entropy–pressure (s–P) graph. We show that the radius valley can be explained by a compositional difference between smaller, predominantly rocky planets (<2 × R ⊕ ) and larger planets (>2 × R ⊕ ) that exhibit greater compositional diversity including cosmic ices (water, ammonia, methane, etc.) and gaseous envelopes. In particular, among the larger planets (>2 × R ⊕ ), when viewed from the perspective of planet equilibrium temperature (T eq ), the hot ones (T eq ≳ 900 K) are consistent with ice-dominated composition without significant gaseous envelopes, while the cold ones (T eq ≲ 900 K) have more diverse compositions, including various amounts of gaseous envelopes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A Generalized Nuclear Code of Accounts for Cost Estimation Standardization

This is a joint INL-EPRI study. Link to corresponding page at the Electric Power Research Institute (EPRI): https://www.epri.com/research/products/000000003002028937 Recent Advanced Reactor (AR) designs typically offer features and attributes that depart from traditional water-cooled reactors in terms of fuel forms, coolants, structural materials, size, safety margins, and other important design and operational aspects. These departures, relative to the industry experience, will likely present a challenge for potential owner-operators when evaluating one or more AR designs for commercial deployment on a like-for-like basis. This is further exacerbated with new classes of reactors gaining prominence (e.g., microreactors) and new emerging applications (e.g., floating barge reactors or space propulsion reactors). The differences in design-specific technologies are compounded by the differences in approach to cost estimation. The lack of consistency in build up toward cost estimates creates a challenge when comparing competing concepts and evaluating their associated cost drivers. The outcome of a 2019 Scoping Study conducted by the Electric Power Research Institute (EPRI) indicated the need for a cost modeling guide (CMG), which would be underpinned by a technology-neutral and inclusive Generalized Nuclear Code of Accounts (GN-COA). A code of accounts (COA) is a tool by which costs are identified in even more specific categories, providing clarity on what specific costs are included in an estimate. A parallel independent effort was meanwhile taking place at Idaho National Laboratory via funding by the Systems Analysis Integration (SA&I) campaign of the Office of Nuclear Energy under the U.S. Department of Energy (U.S. DOE-NE) to also update the COA structure to enable more flexibility and encompass a wider variety of reactor technologies. After being made aware of these synergistic efforts, the two parties decided to combine efforts and develop a joint new standard format for nuclear cost estimation that builds on previous structures. This document describes the development of this joint GN-COA and provides guidance on the implementation of the tool, which is provided as the associated GN-COA Excel document. The main attributes of this novel COA format are that all items are functionally defined (in order to be technology and application agnostic) and grouped into logical arrangements that facilitate the tabulation of costs for reactor constructions under consideration. The intent is for the GN-COA to form a standard that is endorsed by future vendors and customers.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Prioritization of Early-Stage Research and Development of a Hydrogel-Encapsulated Anaerobic Technology for Distributed Treatment of High Strength Organic Wastewater

This study aims to support the prioritization of research and development (R&D) pathways of an anaerobic technology leveraging hydrogel-encapsulated biomass to treat high-strength organic industrial wastewaters, enabling decentralized energy recovery and treatment to reduce organic loading on centralized treatment facilities. To characterize the sustainability implications of early-stage design decisions and to delineate R&D targets, an encapsulated anaerobic process model was developed and coupled with design algorithms for integrated process simulation, techno-economic analysis, and life cycle assessment under uncertainty. Across the design space, a single-stage configuration with passive biogas collection was found to have the greatest potential for financial viability and the lowest life cycle carbon emission. Through robust uncertainty and sensitivity analyses, we found technology performance was driven by a handful of design and technological factors despite uncertainty surrounding many others. Hydraulic retention time and encapsulant volume were identified as the most impactful design decisions for the levelized cost and carbon intensity of chemical oxygen demand (COD) removal. Encapsulant longevity, a technological parameter, was the dominant driver of system sustainability and thus a clear R&D priority. Ultimately, we found encapsulated anaerobic systems with optimized fluidized bed design have significant potential to provide affordable, carbon-negative, and distributed COD removal from high strength organic wastewaters if encapsulant longevity can be maintained at 5 years or above.

Anaerobic Treatment↗

DOE OSTI2026

Integrating science for water security governance

Hydrological extremes are intensifying globally, increasing the complexity of decisions required to ensure water security. Advances in hydrological science, modeling, and data systems have expanded the technical frontier of water research, yet uptake of scientific insights in policy and management decisions remains limited. This persistent science–policy gap is not primarily a failure of knowledge generation or robustness, but an institutional challenge shaped by how scientific and governance systems are organized, coordinated, and connected to support the effective use of scientific knowledge. These challenges are particularly pronounced in multi-level and transboundary water governance, where decisions span jurisdictions and require coordination across institutional and political boundaries. We synthesize research at the science–policy interface and evidence from water security initiatives to show how institutional arrangements, scientific tool development, and research practices enable or constrain the sustained use of scientific knowledge in water-security governance processes. Building on these insights, we develop ‘shared decision infrastructure’ as a framing to describe how scientific knowledge is embedded within the institutional, relational, and procedural arrangements that connect science to decision-making processes over time. We translate this framing into a practical intervention roadmap centered on institutional design, tool translation, sustained co-production, and outcome-oriented evaluation to support the integration of science into ongoing governance processes. By positioning science as shared decision infrastructure, the roadmap clarifies how researchers can design scientific efforts that support more coordinated, accountable, and adaptive water security decisions amid deepening uncertainty.

M whitney, Kristen [NASA Goddard Space Flight Cent↗

DOE OSTI2023

Pu(VI) Oxalate Crystal Structure and Evidence of Photoreduction to Pu(IV) Oxalate

We report the first crystal structure of a Pu(VI)-oxalate compound. This compound, [PuO 2 (C 2 O 4 )(H 2 O)]·2(H 2 O) (1), crystallizes in space group P21/c with a = 5.5993(3) Å, b = 16.8797(12) Å, c = 9.3886(6) Å, and β = 98.713(6)°. It is isostructural with the previously reported U(VI) compound, [UO 2 (C 2 O 4 )(H 2 O)]·2(H 2 O). Each plutonyl ion (PuO 2 2+ ) is coordinated in the equatorial plane by two side-on bidentate oxalates, creating an infinite chain along [001]. A coordinated water molecule and twisting of the oxalates lead to a distorted pentagonal bipyramidal geometry of the Pu. A photochemical degradation was observed for 1, which resulted in the formation of a secondary crystalline phase. The absorption spectrum of this secondary phase confirmed the presence of Pu(IV), but it did not match the spectrum of Pu(C 2 O 4 ) 2 ·6H 2 O, which is considered to be the primary product of Pu-oxalate precipitation. While compound 1 has previously been proposed to exist in solution, this is the first time it has been isolated via crystallization. Although redox interactions between Pu and oxalate have been documented in the literature, the present study is the first observation of a photochemical reduction of Pu(VI)-oxalate. Finally, this study has expanded on the limited understanding of the Pu(VI)-oxalate system, which is important for nuclear fuel cycle applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2025

Comparing multi-model ensemble simulations with observations and decadal projections of upper atmospheric variations following the Hunga eruption

The Hunga Tonga–Hunga Ha'apai Model–Observation Comparison (HTHH–MOC) project aims to comprehensively investigate the evolution of volcanic water vapor and sulfur emissions and their subsequent atmospheric impacts and underlying response mechanisms using state-of-the-art global climate models. This study evaluates multi-model ensemble simulations participating in the HTHH–MOC free-run experiment with climate projections for 10 years (2022–2032). Model results are evaluated against satellite observations to assess their ability to reproduce the observed evolution of stratospheric water vapor, aerosols, temperature, and ozone from 2022 to 2024. The participating models accurately capture the observed distribution patterns and associated upper atmospheric responses, providing confidence for their future projections. Model simulations suggest that the Hunga eruption-induced stratospheric water vapor anomaly lasts 4–7 years, with a water vapor e-folding time of 31–43 months. This prolonged water vapor perturbation leads to significant stratospheric and mesospheric cooling, resulting in significant ozone loss in the upper stratosphere and lower mesosphere for 7–10 years. Comparisons between simulations with both SO 2 and H 2 O emissions and those with H 2 O-only emissions indicate that the pronounced dipole response with upper-stratospheric cooling and lower-stratospheric warming is driven by the combined effects of SO 2 and H 2 O injections. These results highlight the prolonged atmospheric impacts of the Hunga eruption and the potential critical role of stratospheric water vapor in modulating long-term atmospheric chemistry and dynamics.

Zhuo, Zhihong [Univ. of Quebec, Montreal, QC (Cana↗

DOE OSTI2021

Physical Parameters of the Multiplanet Systems HD 106315 and GJ 9827

HD 106315 and GJ 9827 are two bright, nearby stars that host multiple super-Earths and sub-Neptunes discovered by K2 that are well suited for atmospheric characterization. We refined the planets’ ephemerides through Spitzer transits, enabling accurate transit prediction required for future atmospheric characterization through transmission spectroscopy. Through a multiyear high-cadence observing campaign with Keck/High Resolution Echelle Spectrometer and Magellan/Planet Finder Spectrograph, we improved the planets’ mass measurements in anticipation of Hubble Space Telescope transmission spectroscopy. For GJ 9827, we modeled activity-induced radial velocity signals with a Gaussian process informed by the Calcium II H&K lines in order to more accurately model the effect of stellar noise on our data. We measured planet masses of M {sub b} = 4.87 ± 0.37 M {sub ⊕}, M {sub c} = 1.92 ± 0.49 M {sub ⊕}, and M {sub d} = 3.42 ± 0.62 M {sub ⊕}. For HD 106315, we found that such activity radial velocity decorrelation was not effective due to the reduced presence of spots and speculate that this may extend to other hot stars as well (T {sub eff} > 6200 K). We measured planet masses of M {sub b} = 10.5 ± 3.1 M {sub ⊕} and M {sub c} = 12.0 ± 3.8 M {sub ⊕}. We investigated all of the planets’ compositions through comparison of their masses and radii to a range of interior models. GJ 9827 b and GJ 9827 c are both consistent with a 50/50 rock-iron composition, GJ 9827 d and HD 106315 b both require additional volatiles and are consistent with moderate amounts of water or hydrogen/helium, and HD 106315 c is consistent with a ∼10% hydrogen/helium envelope surrounding an Earth-like rock and iron core.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Fast Computational Algorithms for Partial Differential Equations and Uncertainty Quantifications

This project concerned the construction, testing and analysis of computational algorithms for solving parameterized and stochastic partial differential equations. The study and understanding of equations of this type is of fundamental importance in numerous engineering and scientific applications. Examples include simulation of plasma dynamics in models of electric propulsion and nuclear fusion, simulation of multiphase flows, such as the flow of water, gas and oil in reservoirs, and structural analysis of the dependence of structures on materials. Parametrization is used in such settings when properties of the models such as viscosity of fluids or electric resistivity of materials are not precisely understood and instead are treated as random variables. The resulting solutions are themselves random, and having such solutions will enable engineers to use probabilistic methods to assess the likelihood of events, for example, whether a pollutant in a liquid will exceed a limit, and to use such analyses to develop ways to ensure positive outcomes. Construction of accurate (high resolution) computational solutions is expensive, requiring significant computer time and computational resources, and there is need to reduce computational cost to make simulation useful and effective. The aim of the project was to construct algorithms to efficiently compute surrogate solutions to parameterized problems to allow for efficient and accurate simulation. The technical approach used focused on two related strategies, based on rank-reduction methods and reduced-order models. These methods construct surrogate solutions of parameter-dependent models by projection or interpolation into low-dimensional approximation spaces. Cost savings are achieved if the low-dimensional spaces can be identified and constructed efficiently and if the resulting low-dimensional algebraic systems can be solved cheaply. Accomplishments include: Theoretical and empirical demonstration of the effectiveness of fast multigrid solution strategies for computing low-rank representations of parameter-dependent solutions to discrete partial differential equations, including the first proof establishing so-called textbook convergence properties for low-rank methods. Development of efficient solution algorithms for solving nonlinear parameter-dependent partial differential equations used in models of fluid dynamics. Developent of efficient algorithms for low-rank representation of solutions of time-dependent simulations of fluid dynamics using multi-dimensional tensor representations of solutions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Pitfalls in the n -mode representation of vibrational potentials

Simulations of anharmonic vibrational motion rely on computationally expedient representations of the governing potential energy surface. The n-mode representation (n-MR)—effectively a many-body expansion in the space of molecular vibrations—is a general and efficient approach that is often used for this purpose in vibrational self-consistent field (VSCF) calculations and correlated analogues thereof. In the present analysis, a lack of convergence in many VSCF calculations is shown to originate from negative and unbound potentials at truncated orders of the n-MR expansion. For cases of strong anharmonic coupling between modes, the n-MR can both dip below the true global minimum of the potential surface and lead to effective single-mode potentials in VSCF that do not correspond to bound vibrational problems, even for bound total potentials. The present analysis serves mainly as a pathology report of this issue. Furthermore, this insight into the origin of VSCF non-convergence provides a simple, albeit ad hoc, route to correct the problem by “painting in” the full representation of groups of modes that exhibit these negative potentials at little additional computational cost. Somewhat surprisingly, this approach also reasonably approximates the results of the next-higher n-MR order and identifies groups of modes with particularly strong coupling. The method is shown to identify and correct problematic triples of modes—and restore SCF convergence—in two-mode representations of challenging test systems, including the water dimer and trimer, as well as protonated tropine.

Chemistry↗

DOE OSTI2024

Limit Cycle Oscillating Detonation Wave Behavior Analysis Within a Rotating Detonation Engine

Limit cycle oscillation (LCO) detonation wave behaviors are presented and analyzed for test times exceeding 20 s in a water-cooled rotating detonation engine (RDE). LCO detonation waves exhibit cyclic acceleration and deceleration, resulting in oscillating wave spacing at unique process conditions. In previous RDE studies, similar behaviors have been studied as microsecond-scale instabilities leading to ascending or descending modal transitions. In the current work, however, LCO waves are considered a persistent wave mode, occupying unique portions of the operational envelope adjacent to those of their equally spaced counterparts. These occurrences of LCO waves are repeatable, enduring behaviors. A method to generate shifted contour surfaces specifically intended to extract and analyze wave spacing variation through time, termed limit cycle oscillation visualization (LCOV) surfaces, is presented. LCOV surfaces transform data into the reference frame of a primary traveling wave and are used to analyze quasi-steady, short-timescale, and transitional LCO modes. Results are leveraged to understand the relationship between fill height, wave strength, local wave acceleration, and subsequent LCO wave spacing for individual wave sets. In conclusion, quasi-steady LCO waves display wave spacing oscillations between equal spacing values associated with ±1 wave across runs exceeding 18 s.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Assessing CLUBB PDF Closure Assumptions for a Continental Shallow-to-Deep Convective Transition Case Over Multiple Spatial Scales

Assumed-PDF (probability density function) higher-order turbulence closures (APHOCs) are now widely used for parameterizing boundary layer turbulence and shallow convection in Earth system models (ESMs). A better understanding of the resolution-dependent behavior of APHOCs is essential for improving the performance of next-generation ESMs with intended horizontal resolutions finer than 10 km. In this study, we evaluate the PDF family of Analytic double-Gaussian 1 implemented in Cloud Layers Unified By Binormals (CLUBB) over a range of spatial scales (Dx) from 2 to 100 km. A 120-km-wide large eddy simulation (LES) for a continental convection case during 2016 Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) field campaign serves as benchmark to evaluate the PDF closure using an off-line approach. We find during the shallow convection period, the CLUBB PDF closure tends to produce positive biases of cloud properties and liquid water flux near cloud base for all scales of analysis. It produces negative biases for these variables near cloud top that are more severe for Dx larger than 25 km. Results show that replacing the CLUBB-parameterized moisture and temperature skewnesses with LES-derived ones can fix most of the biases if clipping of input moments is allowed to prevent the occurrence of unrealizable solutions. Overall, the performance of the PDF closure is better for smaller Dx = 2–5 km than for larger Dx = 50–100 km; for a given grid spacing, it is better when the convective clouds become deeper in the late afternoon. Likely causes for the resolution dependence and implications for improving the PDF closure are discussed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

MODAQ-BB (Modular Offshore Data Acquisition System - Blackbox) [SWR-24-72]

MODAQ-BB is a compact, rapid deployment data acquisition system that can withstand water depths up to 400m. Codenamed "BlackBox" (or simply BB), since its initial purpose was to track marine assets and record vital data streams that could later be recovered in the event of a mishap - much like a traditional black box used in aviation and shipping, the name has stuck. MODAQ BlackBox is a battery-operable microcontroller platform with internal inertial sensing, GPS, satellite communications, and additional I/O (input/output) support in a depth-rated pressure enclosure. Since BB is self-contained and relatively compact, it can be quickly deployed with minimal effort. The enclosure can be clamped to a tube (such as part of a railing) or mast in a location with unobstructed view of the sky using the available clamp accessory or a common hose clamp. While BB is designed to operate unattended, users can configure what data are uploaded and the frequency of satellite transmissions. Once data are uploaded, they can be relayed to an email distribution list, the MODAQ:Web operational dashboard, or a custom destination. BB has found utility in the National Laboratory of the Rockies' (NLR's) Waterpower projects beyond its original vision and has been configured and successfully deployed in more traditional data-gathering applications where a simple, battery-operated solution was indicated. As part of the MODAQ family, BB fills a space in the spectrum of missions that can be supported that were previously impractical using the traditional MODAQ hardware architecture due to factors such as weight, size, and cost.

Raye, Robert↗

DOE OSTI2021

Distributed electric field sensing using fibre optics in borehole environments

In the past decade, rapid advances in distributed optical fibre sensing technologies have made it possible to record various geophysical data (e.g. strain, temperature and pressure) continuously in both time and space along the fibre, providing an unprecedented quantity and spatial density of data compared to traditional geophysical measurements as well as reducing data acquisition cost. To date, no distributed fibre-based electromagnetic field sensing system has been implemented although electromagnetic sensing could have a broad range of applications to geophysical imaging and monitoring in borehole environments. The goal of this paper is to provide a theoretical feasibility study regarding the design and use of an electromagnetic sensing optical fibre for geophysical applications. First, we present the sensitivity analysis of a ‘hypothetical’ optical fibre coated with polyvinylidene fluoride, a polymer that provides relatively high piezoelectric properties, yet unlike ceramics, is flexible. Next, using a two-dimensional electromagnetic modelling algorithm, we simulate the earth electric-field-to-fibre-strain transfer function and estimate the theoretical sensitivity of the optical fibre to electric fields. Given the state-of-the-art distributed acoustic sensing strain sensitivities in the picometres strain range, our numerical modelling analysis suggests that a perfectly coupled polyvinylidene fluoride–coated optical fibre can measure electric field values in the mV/m to V/m amplitude range. We then apply a cylindrically symmetric modelling algorithm to simulate numerical models demonstrating the applicability of such a fibre in an oilfield environment. Scenarios investigated employ an electric field source and suggest that the measurements can be used to distinguish the oil versus water ratio with a fibre mounted inside a producing steel cased oil well as well as distinguishing between brine and hydrocarbon filled reservoir zones with a fibre located outside of the casing.

58 GEOSCIENCES↗

DOE OSTI2020

Sequentially coupled flow and geomechanical simulation with a discrete fracture model for analyzing fracturing fluid recovery and distribution in fractured ultra-low permeability gas reservoirs

More accurate characterization and prediction of the in-situ distribution of fracturing fluid in fractured reservoirs are needed for enhancing well productivity. In this study, an implicit-sequentially coupled flow/geomechanics simulator incorporating an efficient discrete fracture model is developed to model fluid distribution and recovery performance of ultra-low permeability gas reservoirs. The finite-volume and finite-element methods are used for space discretization of the flow and geomechanics equations, respectively, while the backward Euler method is employed for time discretization. The flow and geomechanics equations are solved sequentially based on fixed-stress splitting. An efficient discrete-fracture model is used to explicitly model the fractured system. Flexible unstructured gridding is employed to model arbitrarily-oriented fractures. The interrelations among pore volume, permeability and geomechanical conditions are considered dynamically using two-way coupled flow and geomechanics computations. The geometry of fracture (networks) due to hydraulic fracturing has significant impacts on the fracturing fluid recovery efficiency and ensuing fluid distribution. Under the same injection volume, the fracturing fluid recovery is higher when the fracture geometry is planar. Fluid recovery is relatively lower whenever natural fractures are activated during fracturing treatments; flowback time is also shortened when complex fracture network with enlarged fracture interface is present. Fracturing fluid in hydraulic fractures may leak off into the natural fractures and subsequently imbibes into the surrounding matrix due to capillarity effects. The fracturing fluid recovery and in-situ fluid distribution are sensitive to the shut-in duration and fracture closure behavior. This study analyzes the coupled flow-geomechanical responses of fractured gas reservoirs during the post-fracturing periods. Understanding the fate of the fracturing fluid can provide insights on, to some extent, the stimulated fracture volume, size of the water invasion zone, and efficiency of the fracturing design. The simulation predictions can also provide more accurate initial reservoir conditions (e.g. distributions of different phases and pressure) for long-term well performance estimation.

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