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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Two–Dimensional Idealized Hadley Circulation Simulation for Global High Resolution Model Development

A new framework for the development of global high resolution models using a vertical- meridional, two-dimensional pole-to-pole domain is proposed. Compared with the three-dimensional global model, the two-dimensional framework can simulate cloud-scale convection at significantly reduced computational cost, data volume, and turn-around time, and accelerate the development phase. Although idealized, it allows for simulation of various clouds and scale interactions under a wide range of environmental conditions, even though zonal waves such as mid latitude storms cannot be simulated. Physics schemes can be tested and assessed over a full array of simultaneously occurring cloud regimes. The framework can serve as an intermediate step between a one-dimensional simulation and a full three-dimensional global model. Using this framework, we analyze the resolution dependencies of simulated clouds and the Hadley circulation in a range of global high resolution models by performing multiple 1000-day simulations; for some resolutions tested, for example, 2 km horizontal resolution, three-dimensional simulation is not feasible at the present time. Analysis shows that both horizontal and vertical resolution determine the properties of the Hadley circulation and clouds, and that the differences among the simulated Hadley circulations are understood as differences in scale interactions influenced by resolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Detecting forest response to droughts with global observations of vegetation water content

Droughts in a warming climate have become more common and more extreme, making understanding forest responses to water stress increasingly pressing. Analysis of water stress in trees has long focused on water potential in xylem and leaves, which influences stomatal closure and water flow through the soil-plant-atmosphere continuum. At the same time, changes of vegetation water content (VWC) are linked to a range of tree responses, including fluxes of water and carbon, mortality, flammability, and more. Unlike water potential, which requires demanding in situ measurements, VWC can be retrieved from remote sensing measurements, particularly at microwave frequencies using radar and radiometry. Here, we highlight key frontiers through which VWC has the potential to significantly increase our understanding of forest responses to water stress. To validate remote sensing observations of VWC at landscape scale and to better relate them to data assimilation model parameters, we introduce an ecosystem-scale analogue of the pressure-volume curve, the non-linear relationship between 44 average leaf or branch water potential and water content commonly used in plant hydraulics. The 45 sources of variability in these ecosystem-scale pressure-volume curves and their relationship to 46 forest response to water stress are discussed. We further show to what extent diel, seasonal, and 47 decadal dynamics of VWC reflect variations in different processes relating the tree response to 48 water stress. VWC can also be used for inferring belowground conditions – which are difficult to 49 impossible to observe directly. Lastly, we discuss how a dedicated geostationary spaceborne 50 observational system for VWC, when combined with existing datasets, can capture diel and 51 seasonal water dynamics to advance the science and applications of global forest vulnerability to 52 future droughts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Novel Spatio-Temporal Regime Tracking Method for Impact Simulations

In this proposal, we present a novel method of tracking the rheological regimes activated during impact cratering events that will allow researchers to gain new insights into cratering mechanics. Rheology describes the stress-strain response of rocks to different conditions. Planetary impact cratering events often occur on too large of a scale to be feasibly captured in controlled experiments. Instead, these dynamic events are primarily studied using multi-physics codes equipped with complex material models that enable calculations of the impact event at scale. However, determining which physical processes are required for the problem of interest is challenging. Because the dominant rheological regimes change with space and time during crater formation, it is difficult to link numerical simulations with observable features of craters at the end of the event. The basis of this work is the implementation of numerical flags that track the activation of each rheological regime throughout impact simulations. We demonstrate this with the ‘Rock Model’ implemented in the CTH shock-physics code. We will use this rheology tracking method to ’zoom in’ on a specific region within an event and track the conditions the rock experiences over time. This work will develop community benchmarks to validate and distribute our implemented rheological models. We will focus on improving the melt models used by the planetary impact modeling community by developing an EOS-aware rheological transition from solid to melt. Through analysis of cell and tracer-particle based tracking data, we will study the effects of different rheologies on modeled outcomes, particularly on the volume and distributions of impacts melts. We will also use this method to link observable features with the rheological mechanisms responsible for them. The deliverables (peer-reviewed papers) from the proposed work are (i) tests of the implemented rheologic processes and demonstrations of the tracking flags; (ii) the first calculations of the spatio-temporal evolution of the dominant rheologies during impact cratering events; and (iii) application to delivery of impactor iron during basin-scale impacts.

58 GEOSCIENCES↗
DOE OSTI2022

CO2 Sweep Based on Geochemical, and Reservoir Characterization of the Residual Oil Zone of Hess's Seminole San Andres Unit (Final Report)

The study of the ROZ (residual oil zone) versus the MPZ (main pay zone) of the Seminole Field provided a unique insight into the nature of ROZ. This is because we had access to an order of magnitude of core available in other fields. We were also able to use an extensive petrophysical data base with one-foot sampling interval made available by the operator. We also obtained an extensive and unique data base containing the entire production history for the field at full resolution. The data set also includes a unique complete, highly-granular information on volumes of CO2 injection and CO2 production. We created a unique high-resolution model of the reservoir. This is the first such model that has been created. Using this very high-resolution data base we were able to make high resolution, multiphase fluid flow simulations. These fluid flow simulations have enabled our team to evaluate CO2 sweep in the ROZ in comparison with the MPZ.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Long-term thermal aging behavior and strength reduction in a laser powder bed fusion 316H stainless steel

The long-term thermal stability of structural alloys is essential for ensuring the safe and reliable operation of nuclear reactors and other power plants. While extensive research has explored the effects of thermal aging on conventional stainless steels, the behavior of additively manufactured (AM) alloys remains less understood. This study examines the thermal aging response of laser powder bed fusion (LPBF) 316H stainless steel (SS) at temperatures ranging from 550 °C to 750 °C over durations of up to 10,000 h (approximately 1.14 years). Advanced characterization techniques, including electron microscopy and synchrotron X-ray diffraction, were used to investigate dislocation recovery and phase evolution. Based on these findings, a time-temperature-precipitation (TTP) diagram was developed for LPBF 316H SS, revealing a 10- to100-fold acceleration in precipitation kinetics compared to wrought 316H SS. A physics-informed model was calibrated using the short-term experimental data, enabling predictions of average precipitate sizes, volume fractions of M 23 C 6 and Laves phases, and changes in molybdenum solute concentration for aging up to 1 × 10⁶ h (114 years). These microstructural insights were further utilized to estimate yield strength and extrapolate strength reduction factors over the extended aging period. Despite the accelerated aging kinetics, LPBF 316H SS demonstrated superior yield strength retention compared to its wrought counterpart. In conclusion, this study establishes a framework for evaluating long-term performance using short-term experimental data and supports the accelerated qualification of AM materials for high-temperature structural applications.

Laser powder bed fusion↗
DOE OSTI2024

Data for The utility of transfer learning to improve the performance of deep learning in axon segmentation

The utility of transfer learning to improve the performance of deep learning in axon segmentation Data Data: All the input and labeled volumes tf-logs: Tensorflow logs, view with command "tensorboard --logdir [name of folder]" Model Weights: model_weights: the argument list under variable combo indicate 1) no oversampling, 2) no rotation, 3) no learn scheduler, and 4) flipping on all three dimensions, and the additional values indicate 5) elastic deformation percentage, 6) rotate deformation percentage, 7) layer setting , 8) learning rate, and 9) training/validation/test data division suffix (leave '' if not using suffix). Results: Output from inference segment_total_results_validation_final: All validation results and calculations segment_total_results: All test results and calculations Authors The modified code was created for a paper by: Marjolein Oostrom, Michael A. Muniak, Rogene Eichler West, Sarah Akers, Paritosh Pande, Moses Obiri, Wei Wang, Kasey Bowyer, Zhuhao Wu, Lisa Bramer, Tianyi Mao, Bobbie Jo Webb-Robertson The work is adapted from Github TrailMap, which was created by Albert Pun and Drew Friedmann Acknowledgments MO, RMEW, SA, MO, LB, BJWR were supported by the Laboratory Directed Research and Development at Pacific Northwest National Laboratory (PNNL), a Department of Energy facility operated by Battelle under contract DE-AC05-76RLO01830. WW, KB, and ZW were supported in part by a NIH/BRAIN Initiative Grant RF1MH128969. MAM and TM were supported by two NIH/BRAIN Initiative Grants R01NS104944, RF1MH120119 and NIH R01NS081071. This research is affiliated with the Pacific northwest bioMedical Innovation Co-laboratory (PMedIC) collaboration between OHSU and PNNL.

Oostrom, Marjolein T↗
DOE OSTI2024

Quantifying the Influence of Size, Shape, and Density of Microplastics on Their Transport Modes: A Modeling Approach

Microplastics (MPs) pose significant risks to marine ecosystems and human health, necessitating accurate predictions of their distributions in aquatic environments for effective risk mitigation. However, understanding MP transport dynamics is challenging because of the inadequate representation of MP characteristics such as size, shape, and density in numerical models. Further, the accuracy of the MP vertical profiles in existing models has not been thoroughly validated. Thus, we developed an MP transport model within the Finite Volume Community Ocean Model framework (FVCOM-MP) by integrating MP characteristics. We validated FVCOM-MP against experimental and analytical data, focusing on various MP transport modes and transitions. FVCOM-MP successfully replicates MP profiles in different transport modes, including the bedload, surface-load, suspended-load, and mixed-load modes. Additionally, we introduce phase diagrams for classifying MP transport modes based on particle characteristics, enhancing our understanding of MP dynamics in aquatic systems. The transport modes for a number of real-world MP particles, including fishing line, plastic bag/bottle fragments, synthetic fibers, tire wear particles, polyvinyl chloride and expanded polystyrene pellets, were analyzed with these phase diagrams.

Microplastic transport, Settling velocity, Rising ↗
DOE OSTI2020

Arctic Tipping Points Triggering Global Change (LDRD Final Report)

The Arctic is warming and feedbacks in the coupled Earth system may be driving the Arctic to tipping events that could have critical downstream impacts for the rest of the globe. In this project we have focused on analyzing sea ice variability and loss in the coupled Earth system Summer sea ice loss is happening rapidly and although the loss may be smooth and reversible, it has significant consequences for other Arctic systems as well as geopolitical and economic implications. Accurate seasonal predictions of sea ice minimum extent and long-term estimates of timing for a seasonally ice-free Arctic depend on a better understanding of the factors influencing sea ice dynamics and variation in this strongly coupled system. Under this project we have investigated the most influential factors in accurate predictions of September Arctic sea ice extent using machine learning models trained separately on observational data and on simulation data from five E3SM historical ensembles. Monthly averaged data from June, July, and August for a selection of ice, ocean, and atmosphere variables were used to train a random forest regression model. Gini importance measures were computed for each input feature with the testing data. We found that sea ice volume is most important earlier in the season (June) and sea ice extent became a more important predictor closer to September. Results from this study provide insight into how feature importance changes with forecast length and illustrates differences between observational data and simulated Earth system data. We have additionally performed a global sensitivity analysis (GSA) using a fully coupled ultra- low resolution configuration E3SM. To our knowledge, this is the first global sensitivity analysis involving the fully-coupled E3SM Earth system model. We have found that parameter variations show significant impact on the Arctic climate state and atmospheric parameters related to cloud parameterizations are the most significant. We also find significant interactions between parameters from different components of E3SM. The results of this study provide invaluable insight into the relative importance of various parameters from the sea ice, atmosphere and ocean components of the E3SM (including cross-component parameter interactions) on various Arctic-focused quantities of interest (QOIs).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Data for Post-Access Report: Tidal Energy Resource Characterization and Model Validation via the Assessment of Cost-effective Spatially Distributed Current Measurements from microFloat Swarms

This project evaluated how high-resolution, spatially distributed field data can be used to refine and validate site-scale hydrodynamic simulations of tidal channels. Use of such spatially-distributed field observations or site-scale hydrodynamic simulations will be needed for producing accurate predictions of tidal energy production over larger arrays of tidal turbines. The data contained in this archive includes field observations of water velocity from a series of short surveys in Agate Pass taken on August 20th, 2020 using station-keeping ADCP (acoustic doppler current profiler) measurements, drifting downward-looking ADCPs, and microFloats, gathered by researchers at APL-UW under a previous project. It also includes high-resolution hydrodynamic model runs for the site during that time generated under TEAMER support. An explanatory file (.pdf format) describes the survey and field data structure. Processed data is stored in .mat format. Survey summary: start time, number of floats, water level. microFloat data: - Cleaned data for each float in survey, - Time series of position (lat., lon.), depth (relative to surface), and horizontal velocity (u, v) Drifting ADCP data: - Cleaned data for each drifting ADCP in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) Stationary ADCP data: - Cleaned data for each station-keeping data set in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) FVCOM (Finite Volume Coastal Ocean Model) model outputs: Water level and velocity, as well as derived variables (e.g., power density) from the final refined model simulations for the Agate Pass subdomain. Contained in NetCDF and ASCII files for the duration of August 18th and 20th 2020 field surveys. Additional scripts for processing the data and generating the figures in the report are included.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Free-spray characteristics and spray-wall interactions of methanol on a gasoline direct injector under flash-boiling and non-flash-boiling conditions

Methanol is considered a promising alternative fuel for internal combustion engines (ICEs) due to its high-octane number, fast laminar flame speed, and elevated latent heat of vaporization, all of which support higher compression ratios and improved thermal efficiency. However, its substantial latent heat of vaporization also poses cold-start challenges, such as misfire and fuel film deposition. This study aims to investigate methanol spray morphology and spray-wall interaction using the Spray M injector from the Engine Combustion Network within a constant-pressure flow vessel. A recently developed unified numerical framework capable of modeling both flash and non-flash boiling sprays is validated against experimental liquid volume fraction data acquired via 3-D computed tomography. Here, the results reveal that flash boiling significantly alters the spray morphology, leading to smaller droplets and spray collapse due to enhanced air-entrainment-induced turbulence. Quantitative agreement between experiments and simulations confirms this behavior. Coupled 0-D equilibrium and 3-D computational fluid dynamics analyses show that flash boiling accelerates evaporation and reduces fuel residence time, while non-flash conditions maintain a persistent liquid core more susceptible to wall wetting. Wall temperature diagnostics reveal that spray collapse alters heat transfer patterns by shifting cooling effects. Mixture fraction analysis indicates that evaporation is primarily governed by shear-layer turbulence, though deviations from adiabatic equilibrium mixing emerge under low-turbulence conditions. Finally, increasing fuel, ambient, and wall temperatures reduces wall wetting and film thickness, mitigating cold-start risks. These findings enhance the understanding of methanol sprays’ behavior and support its adoption as a viable, alternative fuel for ICEs.

Engine Combustion Network↗
DOE OSTI2020

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Early age volume changes in metakaolin geopolymers: Insights from molecular simulations and experiments

The early age volume changes occurring during the geopolymerisation reaction are not sufficiently understood yet, due to shortage of experimental data and theoretical models. This work presents new results on chemical and autogenous deformation of sodium-activated geopolymers from metakaolin, focussing on the first 72 h of reaction. The results show that the geopolymers undergo early-age chemical expansion, not shrinkage. A model is proposed to explain the experimental result, leveraging recent advances from molecular simulations. The model predicts how the extent of chemical expansion is controlled by confined water in the molecular structure of the geopolymer. However, despite this underlying chemical expansion, geopolymer samples undergo autogenous shrinkage at the macroscale, which excludes self-desiccation as the origin of autogenous deformation. A better insight is gained by monitoring the kinetics of geopolymerisation using isothermal and differential calorimetry. Two kinetic regimes are identified, with apparent activation energies of approximately 90 kJ/mol and 70 kJ/mol. This suggests that two microscopic mechanisms concur to determine the early-age volume changes of geopolymer pastes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

AUTOIGNITION DELAY TIMES FOR REFORMATE GAS MIXTURES FROM METHANE GAS ENGINES

Methane slip is a prominent issue in natural gas reciprocating engines that are used in transportation and marine applications. The incomplete combustion that results in methane slip can be resolved with the introduction of hydrogen within the combustion mixture to improve methane oxidation and further enable combustion within the engine crevices where methane has previously remained unreacted. Steam methane reforming (SMR) is a common method used to produce hydrogen and can be used to design an onboard device to reduce methane slip from reciprocating engines. The development of this reformer device requires the validation of high-fidelity chemical kinetic models at the low temperatures of the crevice volumes of these engines. In this work, auto-ignition data is obtained using a shock tube at lean (φ—0.714 or λ—1.4) and stoichiometric (φ, λ = 1) equivalence ratios spanning a temperature range of 1042–1234 K at the 80-bar operating pressure of the test engine. Blends of methane, hydrogen, and reformate products from the SMR reaction are shock-heated in synthetic air, with the ignition delay time measured using an OH* chemiluminescence detector at 310 nm and a CH* detector at 430 nm. The experimental results are compared to several state-of-the-art chemical kinetic mechanisms from the literature. In general, most of the mechanisms show very good agreement with experiments at higher temperatures, with simulation results showing little deviation from experiments at lower temperatures. A sensitivity analysis was conducted, and the results reveal that the reaction H2 + CH3O2 = H + CH3O2H has a very significant role in determining low-temperature ignition delay times (IDTs) of SMR mixtures. These findings provide valuable insights into the chemical kinetics governing methane reformate combustion and contribute to the optimization of onboard reformer designs aimed at mitigating methane slip in natural gas-fueled engines.

Fraze, Matthew↗
DOE OSTI2024

Search for an eV-Scale Sterile Neutrino Using Improved High-Energy νμ Event Reconstruction in IceCube

This Letter presents the result of a 3+1 sterile neutrino search using 10.7 yr of IceCube data. We analyze atmospheric muon neutrinos that traverse the Earth with energies ranging from 0.5 to 100 TeV, incorporating significant improvements in modeling neutrino flux and detector response compared to earlier studies. Notably, for the first time, we categorize data into starting and throughgoing events, distinguishing neutrino interactions with vertices inside or outside the instrumented volume, to improve energy resolution. The best-fit point for a 3+1 model is found to be at sin^{2}(2θ_{24})=0.16 and Δm_{41}^{2}=3.5 eV^{2}, which agrees with previous iterations of this Letter. The result is consistent with the null hypothesis of no sterile neutrinos with a p value of 3.1%.

Neutrino detection↗
DOE OSTI2023

Experimental and modeling studies of IPDI-based polyurea elastomers – The role of hard segment fraction

Segmented polyureas (PUa) are industrially important class of polymers widely used in coatings, sealant, and adhesive applications. Here, in this paper, we report synthesis, characterization, and modeling of Isophorone Diisocyanate-Diethyl-Toluene-Diamine-Polyether amine (IPDI-DETDA-PO PUa) with varied hard segment contents of 20, 30, and 40 weight percent. For each of the three materials, we study its structure and phase behavior using FTIR, DSC, and TEM, and clearly show the presence of microphase separation between the hard and soft nanodomains. We then measure the linear viscoelastic response of the PUa-s using DMA (frequency sweeps at multiple temperatures). The DMA data are shown to obey the time-temperature superposition. Finally, we develop a new micromechanical model describing the DMA results; the model describes a phase-separated PUa as two “Fractional-order Maxwell gels” branches, connected in parallel, with the first FMG branch representing the “percolated hard phase" and the second one modeling the “filled soft phase". In agreement with the earlier thermodynamic theories, the volume-fraction of the percolated hard phase is related to the hard segment weight-fraction (HSWF), defined as the combined mass of IPDI and DETDA normalized to the total mass of the polymer. The data and model are found to be in a good qualitative and quantitative agreement.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Poisson hurdle model-based method for clustering microbiome features

Abstract Motivation High-throughput sequencing technologies have greatly facilitated microbiome research and have generated a large volume of microbiome data with the potential to answer key questions regarding microbiome assembly, structure and function. Cluster analysis aims to group features that behave similarly across treatments, and such grouping helps to highlight the functional relationships among features and may provide biological insights into microbiome networks. However, clustering microbiome data are challenging due to the sparsity and high dimensionality. Results We propose a model-based clustering method based on Poisson hurdle models for sparse microbiome count data. We describe an expectation–maximization algorithm and a modified version using simulated annealing to conduct the cluster analysis. Moreover, we provide algorithms for initialization and choosing the number of clusters. Simulation results demonstrate that our proposed methods provide better clustering results than alternative methods under a variety of settings. We also apply the proposed method to a sorghum rhizosphere microbiome dataset that results in interesting biological findings. Availability and implementation R package is freely available for download at https://cran.r-project.org/package=PHclust. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗