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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Sources and pathways of the upscale effects on the Southern Hemisphere jet in MPAS-CAM4 variable-resolution simulations

Impacts of regional grid refinement on large-scale circulations (“upscale effects”) were detected in a previous study that used the Model for Prediction Across Scales-Atmosphere coupled to the physics parameterizations of the Community Atmosphere Model version 4. The strongest upscale effect was identified in the Southern Hemisphere jet during austral winter. This study examines the detailed underlying processes by comparing two simulations at quasi-uniform resolutions of 30 and 120 km to three variable-resolution simulations in which the horizontal grids are regionally refined to 30 km in North America, South America, or Asia from 120 km elsewhere. In all the variable-resolution simulations, precipitation increases in convective areas inside the high-resolution domains, as in the reference quasi-uniform high-resolution simulation. With grid refinement encompassing the tropical Americas, the increased condensational heating expands the local divergent circulations (Hadley cell) meridionally such that their descending branch is shifted poleward, which also pushes the baroclinically unstable regions, momentum flux convergence, and the eddy-driven jet poleward. This teleconnection pathway is not found in the reference high-resolution simulation due to a strong resolution sensitivity of cloud radiative forcing that dominates the aforementioned teleconnection signals. The regional refinement over Asia enhances Rossby wave sources and strengthens the upper level southerly flow, both facilitating the cross-equatorial propagation of stationary waves. Evidence indicates that this teleconnection pathway is also found in the reference high-resolution simulation. Lastly, the result underlines the intricate diagnoses needed to understand the upscale effects in global variable-resolution simulations, with implications for science investigations using the computationally efficient modeling framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - NLR Historical Solar PV

The U.S. Department of Energy and National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis from variable sources, hydrogen compression and storage, and hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) research platform. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence data centers and other variable loads. This dataset entry describes the behavior of a 1.25-MW proton exchange membrane MC250 electrolyzer system, manufactured by Nel Hydrogen , [1] when fed historical data generated by the 430-kW, fixed-axis solar photovoltaic (PV) array located at NLR’s Flatirons Campus. (While the electrolyzer balance of plant supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack.) Solar PV power output data for the 2020 calendar year were categorized on a daily basis by total energy generation and standard deviation. Each day was then ranked by these metrics, and the 25th, 50th, and 100th percentiles were selected. The 75th percentile day did not exhibit sufficient variability to make for a valuable experiment. A similar process was used for the related historical wind dataset . [2] The historical days in 2020 that represented these percentiles are Dec. 19, March 29, and May 4, respectively. The entire solar day’s power profile was then fed through the MC250 electrolyzer. Due to its length, the 100th percentile day experiment was split into two parts, and the final 3 hours of the solar day were not captured. These final 3 hours contained no spikes or dips of interest and simply represented a slow decay of input solar power. Also, a single timestamp (13:13:47 on Jan. 14, 2026) was lost in the hydrogen system supervisory control and data acquisition. Finally, during the 25th percentile experiment (solar day Dec. 19, 2020) data recording was lost from 11:00:13 to 11:14:45. The roughly 15 minutes of the solar profile were rerun at the end of the experiment and spliced into this time slot during post-processing. The electrolysis system controls hydrogen production by varying direct current applied to the stack, from a maximum of 3,000 A to a minimum safe operation of 300 A, or 10%. Because the current–voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The historical solar profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz frequency. For more details on the statistical analysis process, see the slide deck “Public Reference Data for Megawatt-Scale Hydrogen Electrolysis: NLR Historical Solar PV Analysis and Profile Generation” accessible with this data entry. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single solar PV electrolysis experiment and is formatted as: {technology}_{percentile}_{scaling factor} For instance, “solarPV-430kW_25_2x.zip” reports the experiment using the 25th percentile solar data from the historical 2020 solar PV dataset, scaled to 200%. Scaling factors were applied to the generated solar PV power output files to more closely match the 1.25-MW capacity of the electrolyzer. Each .zip folder contains the following files: A .csv file containing raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production, electrolysis power consumption, and solar power input. A PDF file detailing the historical solar data statistical analysis used to generate the solar profile. An experiment labeled “characterization_200.zip” demonstrates the MC250 electrolyzer steady-state response with 30-minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all experiments combined into one dataset labeled "combined_solarPV_experiments.csv". [1] nelhydrogen.com/product/mc-series-electrolyser . [2] data.nlr.gov/submissions/316 .

08 HYDROGEN↗
DOE OSTI2024

Global Geo-processed Data of Aquifer Properties by 0.5° Grid, Country and Water Basins

This repository of global hydrogeologic datasets contains aquifer properties on 0.5° scale, including depth to groundwater (Fan et al., 2013), aquifer thickness (de Graaf et al., 2015), WHYMap aquifer classes (Richts et al., 2011), porosity and permeability (Gleeson et al., 2014), digitized and geo-processed from their respective sources. Globally gridded aquifer properties could be used independently to estimate global groundwater availability or used as critical inputs to the superwell model to simulate groundwater extraction and provide estimates of pumped volumes and unit costs under user-specific scenarios. Key resources related to this data are: Niazi, H., Ferencz, S., Graham, N., Yoon, J., Wild, T., Hejazi, M., Watson, D., & Vernon, C. (2024; In-prep). Long-term Hydro-economic Assessment Tool for Evaluating Global Groundwater Cost and Supply: Superwell v1. Geoscientific Model Development. superwell model repository which uses this data to simulate groundwater extraction and provides estimates of the global extractable volumes and unit-costs ($/km3) of accessible groundwater production under user-specified extraction scenarios. Repository Overview Main output: aquifer_properties.csv contains all processed outputs, including aquifer properties like porosity, permeability, aquifer thickness, and depth to groundwater. shapefiles.zip: contains all digitized GIS databases and shapefile for all aquifer properties prep_inputs.R: R script that processes the shapefiles to produce the aquifer_properties file plot_inputs.R: R script for plotting the maps and conducting preliminary analysis on the available groundwater volume basin_to_country_mapping.csv, basin_country_region_mapping.csv and continent_county_mapping.csv provide the mapping between continents, 32 energy-economic macro regions, countries, and water basins for post-processing aquifer_properties.csv Maps: Each map visualizes the spatial distribution of one of the aquifer properties across the globe map_in_Porosity.png map_in_Permeability.png map_in_Aquifer_thickness.png map_in_Depth_to_water.png map_in_Grid_area_km.png map_in_WHYClass.png Sample inputs sample_inputs.py: this script samples inputs from the aquifer_properties dataset, ensuring the sampled and original inputs maintain the same distributions sampled_data_100.csv contains 100 sampled data points and sampled_data_100.png compares their distributions Dataset Overview The main outputs are consolidated in a comprehensive aquifer_properties.csv file and include the following fields: GridCellID: Unique identifier for each (roughly 0.5°) grid cell Continent: Continent name Country: Country name GCAM_basin_ID: Identifier for GCAM hydrologic basin Basin_long_name: Full name of the basin WHYClass: Hydrogeologic classification based on WHYMap aquifer classes (Richts et al., 2011) Porosity: Soil porosity (%) (Gleeson et al., 2014) Permeability: Soil permeability (in square meters; Gleeson et al., 2014) Aquifer_thickness: Thickness of the aquifer (in meters; de Graaf et al., 2015) Depth_to_water: Depth to groundwater (in meters; Fan et al., 2013) Grid_area: Area of the grid cell (in square meters) Key References The datasets are digitized versions of global hydrogeologic properties from the following key literature sources: Depth to Groundwater: Fan, Y., Li, H., & Miguez-Macho, G. (2013). Global Patterns of Groundwater Table Depth. Science, 339(6122), 940-943. https://doi.org/10.1126/science.1229881 Aquifer Thickness: de Graaf, I. E. M., Sutanudjaja, E. H., van Beek, L. P. H., & Bierkens, M. F. P. (2015). A high-resolution global-scale groundwater model. Hydrol. Earth Syst. Sci., 19(2), 823-837. https://doi.org/10.5194/hess-19-823-2015 Porosity and Permeability: Gleeson, T., Moosdorf, N., Hartmann, J., & van Beek, L. P. H. (2014). A glimpse beneath earth's surface: GLobal HYdrogeology MaPS (GLHYMPS) of permeability and porosity. Geophysical Research Letters, 41(11), 3891-3898. https://doi.org/10.1002/2014GL059856 Aquifer classes: Richts, A., Struckmeier, W. F., & Zaepke, M. (2011). WHYMAP and the Groundwater Resources Map of the World 1:25,000,000. In J. A. A. Jones (Ed.), Sustaining Groundwater Resources: A Critical Element in the Global Water Crisis (pp. 159-173). Springer Netherlands. https://doi.org/10.1007/978-90-481-3426-7_10 Cite as Niazi, H., Watson, D., Hejazi, M., Yonkofski, C., Ferencz, S., Vernon, C., Graham, N., Wild, T., & Yoon, J. (2024). Global Geo-processed Data of Aquifer Properties by 0.5° Grid, Country and Water Basins. MSD-LIVE Data Repository. https://doi.org/10.57931/2307831 Contact Reach out to Hassan Niazi or open an issue in superwell repository for questions or suggestions.

aquifer thickness↗
NASA NTRS1984

Numerical Simulations of Convectively Excited Gravity Waves

Magneto-convection and gravity waves are numerically simulated with a nonlinear, three-dimensional, time-dependent model of a stratified, rotating, spherical fluid shell heated from below. A Solar-like reference state is specified while global velocity, magnetic field, and thermodynamic perturbations are computed from the anelastic magnetohydrodynamic equations. Convective overshooting from the upper (superadiabatic) part of the shell excites gravity waves in the lower (subadiabatic) part. Due to differential rotation and Coriolis forces, convective cell patterns propagate eastward with a latitudinally dependent phase velocity. The structure of the excited wave motions in the stable region is more time-dependent than of the convective motions above. The magnetic field tends to be concentrated over giant-cell downdrafts in the convective zone but is affected very little by the wave motion in the stable region.

Glatzmaier, G. A.↗
NASA NTRS1996

Internal Passage Heat Transfer Prediction Using Multiblock Grids and a Kappa-Omega Turbulence Model

Numerical simulations of the three-dimensional flow and heat transfer in a rectangular duct with a 180 C bend were performed. Results are presented for Reynolds numbers of 17,000 and 37,000 and for aspect ratios of 0.5 and I.O. A kappa-omega turbulence model with no reference to distance to a wall is used. Direct comparison between single block and multiblock grid calculations are made. Heat transfer and velocity distributions are compared to available literature with good agreement. The multi-block grid system is seen to produce more accurate results compared to a single-block grid with the same number of cells.

Rigby, David L.↗
NASA NTRS2000

Numerical Simulation of Non-rotating and Rotating Coolant Channel Flow Fields

Numerical simulations of the three-dimensional flow and heat transfer in a rectangular duct with a bend were performed. Results are presented for Reynolds numbers of 17,000 and 37,000 and for aspect ratios of 0.5 and 1.0. A k-(omega) turbulence model with no reference to distance to a wall is used. Direct comparison between single block and multiblock grid calculations are made. Heat transfer and velocity distributions are compared to available literature with good agreement. The multi-block grid system is seen to produce more accurate results compared to a single-block grid with the same number of cells.

Rigby, David L.↗
DOE OSTI2013

The Human Phenotype Ontology project: linking molecular biology and disease through phenotype data

The Human Phenotype Ontology (HPO) project, available at http://www.human-phenotype-ontology.org, provides a structured, comprehensive and welldefined set of 10,088 classes (terms) describing human phenotypic abnormalities and 13,326 subclass relations between the HPO classes. In addition we have developed logical definitions for 46% of all HPO classes using terms from ontologies for anatomy, cell types, function, embryology, pathology and other domains. This allows interoperability with several resources, especially those containing phenotype information on model organisms such as mouse and zebrafish. Here we describe the updated HPO database, which provides annotations of 7,278 human hereditary syndromes listed in OMIM, Orphanet and DECIPHER to classes of the HPO. Various meta-attributes such as frequency, references and negations are associated with each annotation. Several large-scale projects worldwide utilize the HPO for describing phenotype information in their datasets. We have therefore generated equivalence mappings to other phenotype vocabularies such as LDDB, Orphanet, MedDRA, UMLS and phenoDB, allowing integration of existing datasets and interoperability with multiple biomedical resources. We have created various ways to access the HPO database content using flat files, a MySQL database, and Web-based tools. All data and documentation on the HPO project can be found online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

PARTICLE SCATTERING OFF OF RIGHT-HANDED DISPERSIVE WAVES

Resonant scattering of fast particles off low frequency plasma waves is a major process determining transport characteristics of energetic particles in the heliosphere and contributing to their acceleration. Usually, only Alfvén waves are considered for this process, although dispersive waves are also present throughout the heliosphere. We investigate resonant interaction of energetic electrons with dispersive, right-handed waves. For the interaction of particles and a single wave a variable transformation into the rest frame of the wave can be performed. Here, well-established analytic models derived in the framework of magnetostatic quasi-linear theory can be used as a reference to validate simulation results. However, this approach fails as soon as several dispersive waves are involved. Based on analytic solutions modeling the scattering amplitude in the magnetostatic limit, we present an approach to modify these equations for use in the plasma frame. Thereby we aim at a description of particle scattering in the presence of several waves. A particle-in-cell code is employed to study wave–particle scattering on a micro-physically correct level and to test the modified model equations. We investigate the interactions of electrons at different energies (from 1 keV to 1 MeV) and right-handed waves with various amplitudes. Differences between model and simulation arise in the case of high amplitudes or several waves. Analyzing the trajectories of single particles we find no microscopic diffusion in the case of a single plasma wave, although a broadening of the particle distribution can be observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Thermal Pressure in the Thermal Equation of State for Solid and a Proposed Substitute

Abstract The thermal equation of state (TEOS) for solids is a mathematic model among pressure, temperature and density, and is essential for geophysical, geochemical, and other high pressure–temperature (high P–T) researches. However, in the last few decades, there has been a growing concern about the accuracy of the pressure scales of the calibrants, and efforts have been made to improve it by either introducing a reference standard or building new thermal pressure models. The existing thermal equation of state, P ( V , T ) = P ( V , T 0 ) + P th ( V , T ), consists of an isothermal compression and an isochoric heating, while the thermal pressure is the pressure change in the isochoric heating. In this paper, we demonstrate that, for solids in a soft pressure medium in a diamond anvil cell, the thermal pressure can neither be determined from a single heating process, nor from the thermal pressure of its calibrant. To avoid the thermal pressure, we propose to replace the thermal pressure with a well-known thermal expansion model, and integrate it with the isothermal compression model to yields a Birch–Murnaghan-expansion TEOS model, called VPT TEOS. The predicted pressure of MgO and Au at ambient pressure from Birch–Murnaghan-expansion VPT TEOS model matches the experimental pressure of zero (0) GPa very well, while the pressure prediction from the approximated Anderson PVT TEOS exhibit a big deviation and a wrong trend.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Comparative genomics of Aspergillus nidulans and section Nidulantes

Aspergillus nidulans is an important model organism for eukaryotic biology and the reference for the section Nidulantes in comparative studies. In this study, we de novo sequenced the genomes of 25 species of this section. Whole-genome phylogeny of 34 Aspergillus species and Penicillium chrysogenum clarifies the position of clades inside section Nidulantes. Comparative genomics reveals a high genetic diversity between species with 684 up to 2433 unique protein families. Furthermore, we categorized 2118 secondary metabolite gene clusters (SMGC) into 603 families across Aspergilli, with at least 40 % of the families shared between Nidulantes species. Genetic dereplication of SMGC and subsequent synteny analysis provides evidence for horizontal gene transfer of a SMGC. Proteins that have been investigated in A. nidulans as well as its SMGC families are generally present in the section Nidulantes, supporting its role as model organism. The set of genes encoding plant biomass-related CAZymes is highly conserved in section Nidulantes, while there is remarkable diversity of organization of MAT-loci both within and between the different clades. This study provides a deeper understanding of the genomic conservation and diversity of this section and supports the position of A. nidulans as a reference species for cell biology.

Theobald, Sebastian [Technical University of Denma↗
NASA NTRS1994

Theoretical models of polar-cap convection under the influence of a northward interplanetary magnetic field

The unexpected patterns of high-latitude auroral luminosity and ionospheric convection that are observed when the interplanetary magnetic field (IMF) has a northward orientation have inspired a variety of theoretical interpretations. The existing models, all referring to steady-state conditions, can be classified according to the topology of the polar magnetic field lines and of the polar-cap convection streamlines. The classes of model include: (1) a closed magnetosphere model, (2) a conventional open model with a distorted, but topologically unchanged, polar-cap boundary, (3) a conventional open model with distorted, but topologically unchanged, polar-cap convection cells, (4) a modified open model with 'lobe convection cells' contained wholly on open magnetic-field lines, and (5) a modified open model with a bifurcated polar cap. The third and fourth types require significant regions of sunward flow on open polar-cap field lines, a concept that presents serious theoretical difficulties. The other three types appear equally viable from a theoretical point of view, and the comparison against observations is an ongoing enterprise. Outstanding theoretical questions include (a) how do observed structures in the polar ionosphere map along magnetic field lines into the magnetosphere?, (b) what is the mechanism that drives the observed sunward convection at highest latitudes on the day side?, and (c) what role does time dependence play in the observed phenomena?

Hill, T. W.↗
DOE OSTI2015

Flattening of fuel importance for heterogeneous system to estimate maximal multiplication factor - 14595

In order to quantify risks of re-criticality incidents associated with loss of coolant accidents (LOCA), the maximum reactivity insertion by relocation of damaged fuel should be quantified. As the first step for the quantification, an automated search scheme is studied for an optimal geometry of damaged fuel in the coolant channel where the neutron multiplication factor k{sub eff} takes a maximal value. The scheme is based on the flattening of the fuel importance. The importance can be recognized as the substitution reactivity from fuel to water in heterogeneous systems. The flattening is achieved by substitution of water and the fuel so as to raise the k{sub eff} referring the local substitution reactivities. To calculate the reactivities efficiently, the first order perturbation scheme is adopted. In the scheme, the adjoint flux is calculated with the PARTISN code. The multi group constants used for the calculation and the perturbed reaction rates are estimated with the continuous energy Monte Carlo code MCNP-5. The proposed methods are tested for a quarter pin cell model that is constructed using Cartesian mesh. From a random distribution of a given amount of fragmented fuel, an optimal geometry is found where the fragmented fuels are aggregated. The multiplication factor in the geometry is greater than that in the original random distribution by 1.4%Δk/k. That indicates the significance of this study. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

DECOVALEX-2023: Task F1 Final Report

DECOVALEX-2023 Task F is a comparison of models and methods for post-closure performance assessment (PA) of a deep geologic repository for radioactive waste. The general aims of Task F are to build confidence in the models, methods, and software used for PA and to stimulate additional research and development in PA methodologies. The task objectives are to motivate development of PA modelling skills and capabilities, to examine the influence of model choices on calculated repository performance, and to compare the uncertainties introduced by model choices to other sources of uncertainty. Task F involves no actual experiment or site. It is a PA modelling exercise that requires the conceptual development of hypothetical repository designs and geologic settings. Because three of the teams were interested in salt and the rest of the teams were interested in crystalline rock, Task F was split into two branches: Task F1 for crystalline rock and Task F2 for salt. This report is for Task F1, crystalline rock. Teams from seven countries (Canada, Czech Republic, Germany, Korea, Sweden, Taiwan, and United States) participated in Task F1. The teams worked together to define the features, events, and processes of the reference case repository and established a set of performance measures. In addition, they defined a set of benchmark problems designed to test and compare modelling capabilities for fracture flow and transport at different scales. The repository design and benchmark problems are documented in a Task Specification that evolved over time as the group honed the specifications. The benchmark problems verified that each team can aptly model flow and transport in fractured media in 1-, 2-, and 3-dimensions. Two general approaches were used for the 3-dimensional benchmarks: discrete fracture network (DFN) and equivalent continuous porous medium (ECPM). DFN modelling involves explicit meshing of each fracture while ECPM modelling aims to capture the effective porosity and directional permeability of each cell in a space-filling mesh as affected by intersecting fractures. In some models, a combination of the two is used, i.e., DFN for large known fractures and ECPM for the rest of the domain. Transport is solved by using either the advection-dispersion equation or particle tracking. Although some variation is observed among model breakthrough curves in the benchmark problems, there is strong agreement in breakthrough behaviour up to at least the 75 th percentile for all benchmarks. At the 90 th percentile, breakthrough results show larger differences, suggesting several models retain substantially higher fractions of tracer in regions of slower moving water. In addition to the flow and transport benchmarks, several teams completed the source term benchmark, verifying capabilities for modelling radionuclide decay and ingrowth, waste package breach, instant release fractions, fuel matrix degradation rates, and radionuclide solubility limitations. The reference case is conceptualized as a generic spent fuel repository at a depth of 450 m in fractured crystalline rock. The repository has 50 parallel backfilled drifts, each with 50 deposition holes 6 m apart. Each deposition hole contains a 4-PWR waste package and bentonite buffer. The rock domain is 5 km in length, 2 km in width, and 1 km in depth. It has 6 deterministic fractured deformation zones and a multitude of stochastic fractures. Teams generally used the ECPM approach for the entire rock or a hybrid approach in which the deterministic fracture zones are modelled with a DFN and the rest of the rock is modelled by ECPM. Of the reference case problems specified, only the results of the initial reference case problem are compared in this report. The initial problem focuses on transport from the deposition holes to the surface, i.e., it neglects waste package performance. Tracers are released at all waste package locations at time zero and tracked for their releases to the near field and ground surface. The water fluxes calculated at the ground surface entry and exit regions of the domain are similar for all models except for two that have considerably lower fluxes. For tracer transport, large differences are observed among models in the magnitude of tracer transported. Much of the difference appears to be due to how the repository is implemented and hence the different degrees of repository simplification. Models that exclude the drifts, buffer, and backfill from the domain tend to show greater release of tracers and radionuclides from the repository. The initial study presented here indicates that major differences in modelling important processes within the repository (e.g., diffusion through buffer and backfill) can produce broadly different release and transport results, especially when those processes are excluded. Even for the models that included all specified features, events, and processes, the results show significant differences and demonstrate the importance of examining multiple modelling approaches in performance assessment. The differences in results observed in this study are expected to motivate teams to either increase complexity in future versions of the reference case models or to improve methods to account for the effects of simplified features and processes. Either way, future improvements in these models are expected to produce results that more closely agree.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Large eddy simulation of a turbulent non-reacting spray jet

We performed Large Eddy Simulation (LES) of a turbulent non-reacting n-Heptane spray jet, referred to as Spray H in the Engine Combustion Network (ECN), and executed a data analysis focused on key LES metrics such as fraction of resolved turbulent kinetic energy and similarity index. In the simulation, we used the dynamic structure model for the sub-grid stress, and the Lagrangian-based spray-parcel models coupled with the blob-injection model. The finest mesh-cell size used was characterized by an Adaptive Mesh Refinement (AMR) cell size of 0.0625 mm. To obtain ensemble statistics, we performed 28 numerical realizations of the simulation. Demonstrated by the comparison with experimental data in a previous study [7], this LES has accurately predicted global quantities, such as liquid and vapor penetrations. The analysis in this work shows that 14 realizations of LES are sufficient to provide a reasonable representation of the average flow behavior that is benchmarked against the 28-realization ensemble. With the current mesh, numerical schemes, and sub-grid scale turbulence model, more than 95% of the turbulent kinetic energy is directly resolved in the flow regions of interest. The large-scale flow structures inferred from a statistical analysis reveal a region of disorganized flow around the peripheral region of the spray jet, which appears to be linked to the entrainment process.

Hu, Bing↗
DOE OSTI2024

In Situ Liquid Electron Microscope Cells Strongly Attenuate Electrochemical Behavior

In situ electrochemical Scanning Transmission Electron Microscopy (ec-S/TEM) probes the dynamics of electrochemical processes in real time and at high spatial resolution. This method utilizes microfabricated electrochemical cells, with enclosed dimensions of 800 μm wide, 800 μm long, and 1–2 μm tall, with electron-transparent silicon nitride windows. Working, counter, and reference electrodes in the configuration studied are deposited Pt with a planar surface area of about 1 μm 2 and a height of 50 nm. The cell confines the electrolyte within a 1 μm tall channel, and the microfabricated electrodes have a non-standard geometry, are coplanar, and are not front-facing. As such, standard assumptions of electrochemical experiments do not apply. COMSOL modeling was used to compare and contrast differences in electrochemical behavior between conventional experimental setups and the in situ ec-S/TEM cells. Cell height strongly affected voltammogram measurements: peak magnitudes and shifts correlate directly to cell height. Reactant concentration above the electrode quickly decreases during deposition, leading to a planar diffusion-dominated regime. The concentration gradient prioritizes particle growth along the thin edges of the electrode and not on the planar part of the electrode. Experiments done in the ec-S/TEM ex situ of a TEM verify the model’s accuracy.

Wittman, Reed M. [Oak Ridge National Laboratory (O↗
DOE OSTI2025

Optimal Power Management for Large-Scale Battery Energy Storage Systems via Bayesian Inference

Large-scale battery energy storage systems (BESS) have found ever-increasing use across industry and society to accelerate clean energy transition and improve energy supply reliability and resilience. However, their optimal power management poses significant challenges: the underlying high-dimensional nonlinear nonconvex optimization lacks computational tractability in real-world implementation, and the uncertainty of the exogenous power demand makes exact optimization difficult. This paper presents a new solution framework to address these bottlenecks. The solution pivots on introducing power-sharing ratios to specify each cell’s power quota from the output power demand. To find the optimal power-sharing ratios, we formulate a nonlinear model predictive control (NMPC) problem to achieve power-loss-minimizing BESS operation while complying with safety, cell balancing, and power supply-demand constraints. We then propose a parameterized control policy for the power-sharing ratios, which utilizes only three parameters, to reduce the computational demand in solving the NMPC problem. This policy parameterization allows us to translate the NMPC problem into a Bayesian inference problem for the sake of 1) computational tractability, and 2) overcoming the nonconvexity of the optimization problem. We leverage the ensemble Kalman inversion technique to solve the parameter estimation problem. Concurrently, a low-level control loop is developed to seamlessly integrate our proposed approach with the BESS to ensure practical implementation. This low-level controller receives the optimal power-sharing ratios, generates output power references for the cells, and maintains a balance between power supply and demand despite uncertainty in output power. We conduct extensive simulations and experiments on a 20-cell prototype to validate the proposed approach.

Battery energy storage systems (BESSs)↗
DOE OSTI2025

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - Simulated Wave

The U.S. Department of Energy and the National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence (AI) data centers and other variable loads. This dataset entry describes hydrogen production using a single, simulated wave energy conversion device. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel Hydrogen. While the unit supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack. For the wave energy, NLR used a wave energy converter model from PacWave. These devices can be equipped with accumulators and pressure relief values to smooth the power output by storing and releasing hydraulic energy. Using a peak power output of 10 MW, the model created two 25-minute profiles: one with and one without the accumulators and pressure relief valves. To down select the profile data from the native resolution of 20 Hz to 1 Hz, NLR took the mean of every 20 data points. NLR experimented with two simulated wave energy power plants: one that peaks at 10 MW, and one that peaks at 5 MW. These profiles were scaled for the physical 1.25 MW electrolyzer by multiplying the original profiles by one eighth and one quarter, respectively. The first profile matches the capacity rating of eight of the 1.25 MW electrolyzers, while the second matches four electrolyzers. Finally, NLR experimented with two settings for the electrolyzer power supply minimum and maximum current ramp rates (gain and slew): 200 and 400 amperes per second. The simulated profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz frequency. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single wave electrolysis experiment and is formatted as follows: {technology}-{accumulator?}_{number of 1.25 MW electrolyzers connected}-{electrolyzer ramp rate in amperes/second} For instance, “wavePacWave-Noacc_4-400.zip” represents the 25 minute-long experiment using the PacWave’s wave energy converter model, equipped with no accumulator, connected to four 1.25-MW electrolyzers with their power supplies set to a maximum current ramp rate (gain and slew) of 400 A/s. Each .zip folder contains the following files: A .csv file containing raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production in kilograms per hour, electrolysis power consumption, and input wave power. An experiment, labeled “characterization_200.zip”, demonstrates the MC250 electrolyzer steady-state response with 30 minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all wave profiles combined into one dataset labeled "combined_wave_experiments.csv". NLR also built an AI/machine-learning predictive model based on these datasets. The model ingests the electrolyzer current command in amperes, as well as various pressures and temperatures across the system, and predicts hydrogen output in kilograms per hour. The complete model can be found at https://huggingface.co/NatLabRockies/ptmelt-hydrogen-electrolysis.

08 HYDROGEN↗
DOE OSTI2010

Effect of Fuel Fraction on Small Modified CANDLE Burn-up Based Gas Cooled Fast Reactors

A conceptual design study of Gas Cooled Fast Reactors with Modified CANDLE Burn-up has been performed. The objective of this research is to get optimal design parameters of such type reactors. The parameters of nuclear design including the critical condition, conversion ratio, and burn-up level were compared. These parameters are calculated by variation in the fuel fraction 47.5% up to 70%. Two dimensional full core multi groups diffusion calculations was performed by CITATION code. Group constant preparations are performed by using SRAC code system with JENDL-3.2 nuclear data library. In this design the reactor cores with cylindrical cell two dimensional R-Z core models are subdivided into several parts with the same volume in the axial directions. The placement of fuel in core arranged so that the result of plutonium from natural uranium can be utilized optimally for 10 years reactor operation. Modified CANDLE burn-up was established successfully in a core radial width 1.4 m. Total thermal power output for reference core is 550 MW. Study on the effect of fuel to coolant ratio shows that effective multiplication factor (k{sub eff}) is in almost linear relations with the change of the fuel volume to coolant ratio.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗