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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Disentangling core and edge mechanisms of the density limit in DIII-D negative triangularity plasmas

The density limit is investigated in the DIII-D negative triangularity plasmas which lack a standard H-mode edge. We find the limit may not be a singular disruptive boundary but a multifaceted density saturation phenomenon governed by distinct core and edge transport mechanisms. Sustained, non-disruptive operation is achieved at densities up to 1.8 times the Greenwald limit ($n_\mathrm{G}$) until the termination of auxiliary heating. Systematic power scans show distinct power scalings for the core ($n_e \propto P_\mathrm{SOL}^{0.27\pm0.03}$) and edge ($n_e \propto P_\mathrm{SOL}^{0.42\pm0.04}$) density limits. The edge density saturation is triggered by the onset of a non-disruptive, high-field side radiation front and the associated cooling, which clamps the edge density below . In contrast, the core density continues to rise until it saturates, a state characterized by enhanced core turbulence. Core transport evolves from a diffusive to an intermittent, avalanche-like state, as indicated by heavy-tailed probability density functions (kurtosis ≈ 6), increased Hurst exponents, and a $1/f$-type power spectrum. These findings suggest that the density limit in the low-confinement regime is determined by a combination of edge radiative cooling and core turbulent transport. This distinction provides separate targets for control strategies aimed at extending the operational space of future fusion devices.

density limit↗
DOE OSTI2022

New bipolar host materials for high power efficiency green thermally activated delayed fluorescence $\mathrm{OLEDs}$

We report four bipolar molecules, namely m-CzPym, p-CzPym, m-CzTrz, and p-CzTrz, with carbazole (Cz) donor and a benzonitrile-substituted pyrimidine (Pym) or triazine (Trz) acceptor core were synthesized and characterized. The electron deficiency of heteroaryl cores together with the substitution pattern of benzonitrile were employed to tune the energy levels as well as the thermally activated delayed fluorescence (TADF) characteristics. The four molecules exhibited TADF behavior with inferior photoluminescent quantum yields (PLQYs) that limit their applications as emitters. These bipolar molecules were employed as TADF host materials for the benchmark TADF emitter 4CzIPN to achieve high-performing green TADF organic light-emitting diodes (OLEDs). Among the molecules, m-CzPym-hosted TADF-OLEDs achieved a maximum external quantum efficiency (EQE max ) of 31.5%, maximum power efficiency (PE max ) of 95.6 lm/W, and maximum current efficiency (CE max ) of 100.2 cd/A. Notably, p-CzPym-hosted TADF-OLEDs also achieved a PE max of 116.5 lm/W, turn-on voltage of 2.5 V, and impressive low efficiency roll-off performance (>89% of EQE max at 5000 cd/m 2 ), representing one of the highest efficiencies ever reported in 4CzIPN-doped devices. The high device efficiency can be ascribed to the balanced ambipolar carrier-transporting character of the host materials and high PLQY as well as the outstanding light outcoupling efficiency of the emitting layer.

42 ENGINEERING↗
DOE OSTI2021

Computed Tomography Scanning and Geophysical Measurements of the Wabash No.1 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize Mt. Simon core from the Wabash CarbonSAFE project, Wabash No. 1 well. The primary impetus of the work in this report is a collaboration between NETL Research and Innovation Center and the Illinois State Geological Survey at the Prairie Research Institute, University of Illinois Urbana-Champaign in Champaign, Illinois. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/wabash-no-1-well. The Wabash No. 1 well was drilled as part of a U.S. Department of Energy (DOE) funded Carbon Storage Assurance Facility Enterprise field project to assess the feasibility of developing a commercial-scale geological storage complex at the Wabash Valley Resources Integrated Gasification Combined Cycle plant near Terre Haute, Indiana. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. None of the equipment used was suitable for direct visualization of the pore space in fine-grained structures; fractures, discontinuities, and millimeter scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy-related examinations traditionally performed at NETL.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗
DOE OSTI2025

Nanoscale and Element-Specific Lattice Temperature Measurements Using Core-Loss Electron Energy-Loss Spectroscopy

Measuring nanoscale local temperatures, particularly in vertically integrated and multicomponent systems, remains challenging. Spectroscopic techniques like X-ray absorption and core-loss electron energy-loss spectroscopy (EELS) are sensitive to lattice temperature, but understanding thermal effects is nontrivial. This work explores the potential for nanoscale and element-specific core-loss thermometry by comparing the Si L2,3 edge’s temperature- dependent redshift against plasmon energy expansion thermometry (PEET) in a scanning TEM. Using density functional theory (DFT), time-dependent DFT, and the Bethe−Salpeter equation, we ab initio model both the Si L 2,3 and plasmon redshift. We find that the core-loss redshift occurs due to bandgap reduction from electron−phonon renormalization. Our results indicate that despite lower core-loss signal intensity compared to plasmon features, core-loss thermometry has key advantages and can be more accurate through standard spectral denoising. Specifically, we show that the Varshni equation easily interprets the core-loss redshift for semiconductors, which avoids plasmon spectral convolution for PEET in complex junctions and interfaces. We also find that core-loss thermometry is more accurate than PEET at modeling thermal lattice expansion in semiconductors, unless the specimen’s temperature-dependent dielectric properties are fully characterized. Furthermore, core-loss thermometry has the potential to measure nanoscale heating in multicomponent materials and stacked interfaces with elemental specificity at length scales smaller than the plasmon’s wave function.

Bethe–Salpeter equation↗
DOE OSTI2023

Field Laboratory for Emerging Stacked Unconventional Plays in Central Appalachia

The goal of the Field Laboratory for Emerging Stacked Unconventional Plays (ESUP) in Central Appalachia project was to investigate and characterize the resource potential for multi-play production of emerging unconventional reservoirs in Central Appalachia. Project activities included drilling, logging and coring of a vertical characterization well drilled to basement to approximately 15,000 feet in depth. The data from drilling and well logs as well recovered core samples were used by the research team to support characterization of the geology and potential pay zones within the Nora Gas Field of southwestern Virginia and the greater Central Appalachian Basin. This project was led by Dr. Nino Ripepi of the Virginia Center for Coal and Energy Research (VCCER) in close collaboration with EnerVest Operating LLC (EnerVest). VCCER is housed in the Department of Mining and Minerals Engineering at Virginia Tech and was created by an Act of the Virginia General Assembly on March 30, 1977, as an interdisciplinary study, research, information, and resource facility for the Commonwealth of Virginia. EnerVest is a top tier, low-cost oil and natural gas company with a long history of traditional operating relationships with institutional investors as well as public and private companies. This report summarizes two major research activities: 1) Log and Core Analysis and 2) Numerical Modeling. Core analysis comprises the characterization efforts of the ESUP Field Laboratory and includes a discussion of the well logs run in the deep characterization wells, an initial analysis of those, the number, size and location of cores recovered, core testing and analysis done to date as well as plans for future analysis. Numerical modeling is comprised of seven major modeling efforts, including (1) Multiphysics shale transport modeling work, (2) the developed in-house compositional simulator studies, (3) reservoir modeling studies using GEM software, (4) fracture modeling work using EFRAC3D software and (5) numerical modeling efforts with ABAQUS software, (6) Numerical modeling efforts using FLAC3D and PFC3D, and (7) Automatic Machine Learning (AutoML) Studies.

02 PETROLEUM↗
DOE OSTI2022

Computed Tomography Scanning and Geophysical Measurements of the Smackover Formation from the Roberson 18-19 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) site in Morgantown, West Virginia, were used to characterize the Upper Jurassic (Oxfordian) Smackover limestone in the Roberson 18-19 1-15H core retrieved from the Atlanta Field, Columbia County, Arkansas. The 365.68-ft long Roberson core came from a vertical well at depths 8,802 ft to 9,169.60 ft, drilled by Southwestern Energy targeting the Smackover Formation as a potential unconventional oil reservoir. The primary impetus of this work was to non-destructively characterize core from the Smackover Formation that was acquired through a core exchange with Southwestern Energy. The Smackover Formation is an unconventional limestone play in southern Arkansas. This report and the associated scans provide detailed datasets not typically made publicly available from unconventional limestone for analysis. The resultant datasets are presented in this report and can be accessed from NETL’s Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/roberson-smackover.

58 GEOSCIENCES↗
DOE OSTI2020

Iron and Phosphorus Geochemistry in High-Centered and Low-Centered Polygon Soils from the Barrow Environmental Observatory, Utqiagvik, Alaska, 2015

This dataset provides chemical characterization of soil cores obtained in triplicate from center and trough positions of a high-centered polygon and center, ridge, and trough positions of a low-centered polygon in the NGEE Arctic research area within the Barrow Environmental Observatory, Utqiagvik, Alaska. Photographs of the 15 collected cores are provided. Cores were collected to thaw depth in early October 2015 and subsequently divided into subsamples for analysis, which included bulk soil horizons (organic or mineral) and finer scale depth increments (minimum 4 cm thickness per increment). Bulk horizons and depth increments were characterized using sequential chemical extractions for Fe and P and with Fe K-edge x-ray absorption spectroscopy. Additional soil parameters such as loss-on-ignition, gravimetric water content, and carbon and nitrogen concentrations were also quantified for bulk horizons. This dataset includes four csv files, one pdf user guide, and one zip folder of *.jpg photos.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Microbial Community Characteristics Largely Unaffected by X-Ray Computed Tomography of Sediment Cores

X-ray computed tomography (CT) scanning is used to study the physical characteristics of soil and sediment cores, allowing scientists to analyze stratigraphy without destroying core integrity. Microbiologists often work with geologists to understand the microbial properties in such cores; however, we do not know whether CT scanning alters microbial DNA such that DNA sequencing, a common method of community characterization, changes as a result of X-ray exposure. Our objective was to determine whether CT scanning affects the estimates of the composition of microbial communities that exist in cores. Sediment cores were extracted from a salt marsh and then submitted for CT scanning. We observed a minimal effect of CT scanning on microbial community composition in the sediment cores either when the cores were examined shortly after recovery from the field or after the cores had been stored for several weeks. In contrast, properties such as sediment layer and marsh location did affect microbial community structure. While we observed that CT scanning did not alter microbial community composition as a whole, we identified a few amplicon sequence variants (13 out of 7,037) that showed differential abundance patterns between scanned and unscanned samples among paired sample sets. Our overall conclusion is that the CT-scanning conditions typically used to obtain images for geological core characterization do not significantly alter microbial community structure. We stress that minimizing core exposure to X-rays is important if cores are to be studied for biological properties. Future investigations might consider variables, such as the length and energy of radiation exposure, the volume of the core, or the degree, to which microbial communities are stressed as important factors in assessing the impact of X-rays on microbes in geological cores.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes

Although crown ethers can selectively bind many metal cations, little is known regarding the solution properties of crown ether complexes of the uranyl dication, UO 2 2+ . Here, in this work, the synthesis and characterization of isolable complexes in which the uranyl dication is bound in an 18-crown-6-like moiety are reported. A tailored macrocyclic ligand, templated with a Pt(II) center, captures UO 2 2+ in the crown moiety, as demonstrated by results from single-crystal X-ray diffraction analysis. The U(V) oxidation state becomes accessible at a quite positive potential (E 1/2 ) of –0.18 V vs Fc +/0 upon complexation, representing the most positive U VI /U V potential yet reported for the UO 2 n+ core. Isolation and characterization of the U(V) form of the crown complex are also reported here; there are no prior reports of reduced uranyl crown ether complexes, but U(V) is clearly stabilized by crown chelation. Joint computational studies show that the electronic structure of the U(V) form results in significant weakening of U–O oxo bonding despite the quite positive reduction potential at which this species can be accessed, underscoring that crown-ligated uranyl species could demonstrate unique reactivity under only modestly reducing conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bioindicator “fingerprints” of methane-emitting thermokarst features in Alaskan soils

Permafrost thaw increases the bioavailability of ancient organic matter, facilitating microbial metabolism of volatile organic compounds (VOCs), carbon dioxide, and methane (CH 4 ). The formation of thermokarst (thaw) lakes in icy, organic-rich Yedoma permafrost leads to high CH 4 emissions, and subsurface microbes that have the potential to be biogeochemical drivers of organic carbon turnover in these systems. However, to better characterize and quantify rates of permafrost changes, methods that further clarify the relationship between subsurface biogeochemical processes and microbial dynamics are needed. In this study, we investigated four sites (two well-drained thermokarst mounds, a drained thermokarst lake, and the terrestrial margin of a recently formed thermokarst lake) to determine whether biogenic VOCs (1) can be effectively collected during winter, and (2) whether winter sampling provides more biologically significant VOCs correlated with subsurface microbial metabolic potential. During the cold season (March 2023), we drilled boreholes at the four sites and collected cores to simultaneously characterize microbial populations and captured VOCs. VOC analysis of these sites revealed “fingerprints” that were distinct and unique to each site. Total VOCs from the boreholes included > 400 unique VOC features, including > 40 potentially biogenic VOCs related to microbial metabolism. Subsurface microbial community composition was distinct across sites; for example, methanogenic archaea were far more abundant at the thermokarst site characterized by high annual CH 4 emissions. The results obtained from this method strongly suggest that ∼10% of VOCs are potentially biogenic, and that biogenic VOCs can be mapped to subsurface microbial metabolisms. By better revealing the relationship between subsurface biogeochemical processes and microbial dynamics, this work advances our ability to monitor and predict subsurface carbon turnover in Arctic soils.

anaerobic degradation↗
DOE OSTI2023

Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties

As a planar subunit of C 60 -fullerene, truxene (C 27 H 18 ) represents a highly symmetrical rigid hydrocarbon with strong blue emission. Herein, we used truxene as a model to investigate the chemical reactivity of a fullerene fragment with alkali metals. Monoanion, dianion, and trianion products with different alkali metal counterions were crystallized and fully characterized, revealing the core curvature dependence on charge and alkali metal coordination. Moreover, a proton nuclear magnetic resonance study coupled with computational analysis demonstrated that deprotonation of the aliphatic CH 2 segments introduces aromaticity in the five-membered rings. Importantly, the UV-vis absorption and photoluminescence of truxenyl anions with different charges reveal intriguing charge-dependent optical properties, implying variation of the electronic structure based on the deprotonation process. An increase in aromaticity and π-conjugation yielded a red shift in the absorption and photoluminescent spectra; in particular, large Stokes shifts were observed in the truxenyl monoanion and dianion with high emission quantum yield and time of decay. Overall, stepwise deprotonation of truxene provides the first crystallographically characterized examples of truxenyl anions with three different charges and charge-dependent optical properties, pointing to their potential applications in carbon-based functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Core line spread function calibration of the X-ray Imaging and Spectroscopy Mission Resolve X-ray calorimeter spectrometer

The Resolve X-ray imaging spectrometer onboard the X-ray Imaging and Spectroscopy Mission consists of a 36 pixel array of high-resolution X-ray calorimeters each with ∼ 5 eV full-width-at-half-maximum (FWHM) spectral resolution in the 0.3 to 12 keV band. The response to monochromatic X-rays (line spread function, LSF) is composed of a narrow Gaussian core and weak extended components caused by energy loss during thermalization. We report on the characterization of the Gaussian core LSF in an extensive ground calibration campaign. We also discuss the characterization of on-orbit resolution, which shows slightly higher FWHM than that obtained on the ground.

Astronomy and AstroPhysics↗
DOE OSTI2023

Transforming our understanding of chloroplast-associated genes through comprehensive characterization of protein localizations and protein-protein interactions

Bioenergy crops are a renewable source of fuels and are a critical base for building a carbon-neutral economy. Rational engineering of bioenergy crops has the potential to enhance the yields. However, our ability to engineer plants is limited because the functions of most genes remain unknown. Systematic characterization of gene function in plants thus has the potential to greatly accelerate bioenergy research. Here, we focus on the chloroplast, an underexplored energy-producing organelle that is a hallmark of plants. The chloroplast is one of the promising targets of biofuel crop engineering efforts because of its central role in photosynthesis, metabolism, and intracellular signaling. However, the protein composition of the chloroplast and the functions of most of its proteins remain poorly characterized. At the core of this project, we sought to comprehensively determine the localization of chloroplast-associated proteins and generate a spatially defined protein-protein interaction network for chloroplast. For this purpose, we used the leading model alga Chlamydomonas reinhardtii, which greatly increased experimental speed and throughput. We illustrated the value of our findings to land plants by determining the localization of Arabidopsis thaliana land plant homologs of the Chlamydomonas proteins. Altogether, we were successful in determining the localization of 1,034 chloroplast-associated proteins in Chlamydomonas. The localizations provide numerous insights into the spatial organization of chloroplasts and how they function to support photosynthesis. The localization patterns of distinct proteins revealed new chloroplast structures and revealed new spatial organization inside the chloroplast. We also identified new components of known chloroplast structures, such as the chloroplast envelope, nucleoid, plastoglobuli, and pyrenoid. We identified these new components by investigating the interacting partners of known proteins. Many proteins localized in both the chloroplast and other cellular structures, thereby hinting at new functions and communication between cellular structures. We also applied machine learning on the atlas to generate predictions for the location of all of the proteins in Chlamydomonas. This enabled us to assign putative functions to many uncharacterized proteins based on their cellular location. Altogether, this research establishes a rich resource that opens new avenues of investigation and guides future work in deciphering and manipulating chloroplast function. Next, we developed an extensive protein-protein interaction network for the chloroplast by performing affinity purification-mass spectrometry on ~1,150 tagged chloroplast-associated proteins, the first such large-scale study in any photosynthetic organism. This dataset reveals 4,694 high-confidence protein-protein interactions, offering insights into the functions of thousands of conserved poorly-characterized chloroplast proteins. This systematic identification of protein-protein interactions in the chloroplast also provides multiple exciting new research directions and a detailed blueprint of the chloroplast's operation. This research lays the groundwork to decipher the inner workings of the chloroplast, the cell structure at the heart of photosynthesis. The spatial atlas and protein-protein interactions reveal chloroplast organizational features that would not have been accessible with traditional approaches. The localization mapping, insights into the function, and research materials generated further provide a rich resource for the research community to advance the understanding of how the chloroplast is organized to enable engineering of enhanced photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Wettability variation and its impact on CO 2 storage capacity at the Wyoming CarbonSAFE storage hub: An experimental approach

Meeting global and national net zero carbon emission targets will require geologic carbon disposal. The U.S. Department of Energy (DOE) has accordingly funded significant research in this area, including the Wyoming CarbonSAFE project at Dry Fork Station (DFS) in Campbell County, Wyoming. This work studied wettability on micro- and macro-scales, CO 2 storage potential, and the correlation between the two to support the Wyoming CarbonSAFE project’s subsurface assessment. During the study, a target formation’s wettability was found to affect how much CO 2 can be stored in a given formation. Here, in this study, representative rock samples were selected from the target storage formations— Lakota, Hulett, and Minnelusa—based on the heterogeneity of the lithology, permeability, and porosity of the respective formations. The rock samples are all fine-grained sandstone with variable cementation and bedding structure, including different scales of laminated bedding. The porosity and permeability vary within the range of 9.0–14.3% and 0.1–28.9 mD, respectively. These rock samples were prepared for the micro-scale wettability (contact angle measurement), macro-scale wettability (wettability index derived from unsteady-state flow characterization for the core plugs), and CO 2 storage evaluation. The macro-scale experiments suggested that wettability appeared to dominate the CO 2 storage potential performance during the drainage process, where less water-wet behavior promoted higher CO 2 storage potential. The micro-scale wettability tests showed that the rock samples at the studied reservoir conditions behaved water-wet and became more water-wet as pressure increased. This kind of wettability change discourages further CO 2 storage potential yet benefits the CO 2 residual trapping as the CO 2 injection proceeds for the studied area. The results allow the recommendation of the best reservoir candidate for storage based on wettability that affects CO 2 storage. The work presented in this study provides valuable insights into wettability’s effect on the CO 2 storage capacity and wettability’s importance when identifying the optimal CO 2 storage formation to meet the project’s goals.

58 GEOSCIENCES↗
DOE OSTI2025

Community Requirements Meta-Analysis: Characterizing Needs and Opportunities for HPDF

This High Performance Data Facility (HPDF) Project is creating a new scientific user facility to provide advanced infrastructure for data-intensive science, supporting the DOE’s Office of Science (SC) community. HPDF’s mission is to enable and accelerate scientific discovery by delivering state-of-the-art data management infrastructure, capabilities, and tools. This meta-analysis examines the needs of the breadth of the SC community, captured in publicly available community reports or mission documents. The meta-analysis identifies and provides initial characterization of fifteen core requirements for the HPDF Project team to consider during the conceptual design phase. The fifteen requirements illustrate how scientific work among SC communities requires modern, seamless user experiences across the ASCR Ecosystem to advance the use of large volumes of heterogeneous data. The scientific community requires support for the missing middle of compute between local and HPC to interactively and collaboratively use growing datasets. Data producers and end users will benefit from enhanced data catalogs and portals that improve data access through advanced search of well curated data. The fifteen requirements are examined here organized across five themes for discussion. Examples in each theme illustrate the array of scientific needs that convey the important role that the fully realized and operational High Performance Data Facility will be able to play as an integral part of the evolving ASCR Ecosystem. Our amalgamated data tables from ESnet reports demonstrate ranges to the volumes of data HPDF must be concerned with, but limitations are inherent to this meta-analysis (see Key Challenges & Limitations). Feedback and validation of these requirements along with additional details and emergent community requirements will be gathered through user research and design activities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Enhancing CO 2 Storage Complex Characterization in the Williston Basin: An Integrated Approach of Petrophysical Evaluation and Core Analysis

Conference presentation at Carbon Capture, Utilization, and Storage (CCUS) Conference 2024, Houston, Texas, March 11–13, 2024. Petrophysics and core analysis are pivotal in carbon capture and storage (CCS). An integrated workflow including conventional and advanced well logs and core analysis (CCAL and SCAL) was developed to characterize the Broom Creek Formation as the target reservoir to store CO 2 in a CCS project in North Dakota.

02 PETROLEUM↗
DOE OSTI2025

Radiation Characterization Summary: Godiva IV Critical Assembly Environments at the In-Core, Top Hat, 1m, and 2m Irradiation Locations

This document presents the facility-recommended characterization of the neutron, prompt gamma ray, and delayed gamma ray radiation fields at the Godiva IV critical assembly at the National Criticality Experiments Research Center (NCERC). The environments assessed include the In-Core location, a location on the Top Hat, 1m away from the assembly, and 2m away from the assembly. The neutron, prompt gamma ray, and delayed gamma ray energy spectra, uncertainties, and covariance matrices are presented as well as radial and axial neutron and gamma ray fluence profiles on the Top Hat surrounding the critical assembly. Recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗