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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 OSTI2022

Toward CO 2 Multimeasurement Geophysical Monitoring in the North Dakota CarbonSAFE Project

Paper presented at 16th International Conference on Greenhouse Gas Control Technologies (GHGT-16), October 23–27, 2022, Lyon, France. Overcoming data acquisition challenges associated with a lake in the study area, electrical infrastructure around the plant, noise from mine activities, complex near-surface conditions associated with reclaimed mine land, high wind speed, and extremely cold temperatures, data processing, modeling, and inversion of the baseline geophysical data demonstrated the importance of high-quality data for a CO 2 geophysical monitoring program. Implementing more advanced data acquisition and processing techniques in future monitoring surveys can further improve confidence in interpretations of geophysical survey data.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Simulation of the PBX 9501 Self-Ignited Heavily Confined Cookoff Test

The PBX 9501 self-ignited thermally damaged explosive (SITX) test was carried out by Holmes et al. A 6-inch diameter sphere made of the PBX 9501 was heated inside a steel confinement vessel until it underwent a thermal explosion. This test provided measured temperature data that was used to define a boundary condition to carry out post-experiment finite element (FE) thermal simulations and comparisons of the FE thermal response with the experimental time to thermal ignition and internal temperature measurements at the center of the PBX 9501 sphere. Finite element models of this experiment were constructed using the heat transfer code Aria. A cookoff model for PBX 9501 was used to simulate the thermal decomposition of PBX 9501 and to predict the time to thermal ignition. An inverse heat conduction scheme was designed and applied to estimate a 1D temperature boundary condition.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2026

The solubility of NdPO 4 and DyPO 4 and stability of Nd and Dy chloride and hydroxyl complexes as a function of pH and salinity to 450 °C

The mobility of rare earth elements (REE) in geological systems is often controlled by the stability of monazite and xenotime, which are important hosts for the light and heavy REE. These REE phosphates constitute important resources and provide information on ore formation conditions and timing due to their uses as geothermometers and geochronometers. While the thermodynamic properties for these minerals are well-established up to high temperature and pressure, the properties for the aqueous REE complexes are not well constrained with limited information up to 300 °C. In this study, the solubility of synthetic NdPO 4 and DyPO 4 endmembers were measured in hydrothermal sub- to supercritical NaCl-bearing aqueous solutions from 350 at saturated water vapor pressure to 450 °C at 700 bar. The speciation of Nd and Dy was determined in acidic to alkaline solutions (pH 25 °C values from 2 to 10), and indicates that the hydroxyl species REE(OH) 2 + and REE(OH) 3 0 predominate at low salinity (0.01 mol/kg NaCl) with some contribution of REE chloride species REECl 2+ and REECl 2 + in acidic fluids. The REE phosphate solubility measured in these experiments is up to two orders of magnitude higher than predicted using existing thermodynamic properties from literature for aqueous species extrapolated from lower temperature data to supercritical conditions. To address this discrepancy, the thermodynamic properties of the REE aqueous species were optimized using GEMSFITS to derive the formation constants for the REE chloride (β Cl ) and hydroxyl (β OH ) complexes in the studied temperature range. This study highlights the importance of the hydroxyl species REE(OH) 2 + and REE(OH) 3 0 over a wide range of pH and temperature. As a result, the revised thermodynamic properties for Dy and Nd chloride and hydroxyl species more accurately predict the solubility of NdPO 4 and DyPO 4 and provide insight into the speciation and mobility of the light and heavy REE in hydrothermal supercritical fluids in the crust.

58 GEOSCIENCES↗
DOE OSTI2021

Dynamical System Scaling Application to Zircaloy Cladding Thermal Response During Reactivity-Initiated Accident Experiment

New fuel design and development currently requires 20 to 25 years to be qualified for use by the nuclear power industry. The thermal-hydraulics community has taken advantage of scaling theory to design reduced scale experiments that correctly preserve dominant key phenomena while quantifying distorted phenomena. These techniques can be leveraged in the design and analysis of fuel performance experiments to help reduce the timeline associated with fuel design and development. This study uses the Dynamical System Scaling (DSS) method to analyze cladding temperature data from the recent SETH-C experiment in the TREAT facility and accompanying BISON simulations to assess dynamic distortions occurring throughout the fast power excursion transient. The DSS analysis revealed that on the cool down from peak cladding temperature that the fuel radial power profile is the most sensitive modeling parameter with a heterogenous radial peaking factor corresponding to the lowest distortion compared to a uniform energy deposition. For the heat up to peak cladding temperature the heterogeneous radial power profile corresponded to the shortest process action. Finally, for the heat up to peak cladding temperature, the gap conductance model sensitivity was quantified using process action and shows that the default Light Water Reactor gap conductance model corresponded to the longest process action.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Probabilistic neural networks for fluid flow surrogate modeling and data recovery

We consider the use of probabilistic neural networks for fluid flow surrogate modeling and data recovery. This framework is constructed by assuming that the target variables are sampled from a Gaussian distribution conditioned on the inputs. Consequently, the overall formulation sets up a procedure to predict the hyperparameters of this distribution which are then used to compute an objective function given training data. We demonstrate that this framework has the ability to provide for prediction confidence intervals based on the assumption of a probabilistic posterior, given an appropriate model architecture and adequate training data. The applicability of the present framework to cases with noisy measurements and limited observations is also assessed. To demonstrate the capabilities of this framework, we consider canonical regression problems of fluid dynamics from the viewpoint of reduced-order modeling and spatial data recovery for four canonical data sets. The examples considered in this study arise from (i) the shallow-water equations, (ii) a two-dimensional cylinder flow, (iii) the wake of a NACA0012 airfoil with a Gurney flap, and (iv) the NOAA sea surface temperature data set. Furthermore, the present results indicate that the probabilistic neural network not only produces a machine-learning-based fluid flow surrogate model but also systematically quantifies the uncertainty therein to assist with model interpretability.

42 ENGINEERING↗
DOE OSTI2024

Thermal field reconstruction and compressive sensing using proper orthogonal decomposition

Model order reduction allows critical information about sensor placement and experiment design to be distilled from raw fluid mechanics simulation data. In many cases, sensed information in conjunction with reduced order models can also be used to regenerate full field variables. In this paper, a proper orthogonal decomposition (POD) inferencing method is extended to the modeling and compressive sensing of temperature, a scalar field variable. The method is applied to a simulated, critically stable, incompressible flow over a heated cylinder (Re = 1000) with Prandtl number varying between 0.001 and 50. The model is trained on pressure and temperature data from simulations. Field reconstructions are then generated using data from selected sensors and the POD model. Finally, the reconstruction error is evaluated across all Prandtl numbers for different numbers of retained modes and sensors. The predicted trend of increasing reconstruction accuracy with decreasing Prandtl number is confirmed and a Prandtl number/sensor count error matrix is presented.

Matulis, John↗
DOE OSTI2025

Contemporary income inequality outweighs historic redlining in shaping intra-urban heat disparities in Los Angeles

The roots of intra-urban heat disparity in the U.S. often trace back to historical discriminatory practices, such as redlining, which categorized neighborhoods by race or ethnicity. In this study, we compare the relative impacts of historic redlining and current income inequality on thermal disparities in Los Angeles. A key innovation of our work is the use of land surface temperature data from the ECOSTRESS instrument aboard the International Space Station, enabling us to capture diurnal trends in urban thermal disparities. Our findings reveal that present-day income inequality is a stronger predictor of heat burden than the legacy of redlining. Additionally, land surface temperature disparities exhibit a seasonal hysteresis effect, intensifying during extreme heat events by 5−7 °C. Sociodemographic analysis highlights that African-American and Hispanic populations in historically and economically disadvantaged areas are often the most vulnerable. Our findings suggest that while the legacy of redlining may persist, the present-day heat disparities are not necessarily an immutable inheritance, where targeted investments and interventions can pave the way for a more thermally just future for these communities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Solid structure of Li 2 BeF 4 (FLiBe) from room temperature to melting studied by neutron and X-ray diffraction

Molten fluoride salts such as Li 2 BeF 4 (FLiBe) are used in molten salt reactors, fluoride-salt-cooled high-temperature reactors and fusion reactors as a fuel solvent, coolant and/or tritium breeding medium. In engineered systems that use molten salt, solid-state material will be present during melting and freezing scenarios, and therefore the temperature-dependent properties of the solid and solid/liquid phase transition merit investigation. To observe the behavior of the solid state of Li 2 BeF 4 from room temperature to melting, this work used neutron and X-ray diffraction to measure the changes in the lattice parameters and volume of the crystalline unit cell and compared the results with prior low-temperature data for solid Li 2 BeF 4 . From neutron diffraction data it is also possible to identify anisotropy: centimetre-scaled crystals align preferentially with the a axes parallel to the direction of freezing front propagation, and the c axes expand 54% more than the a axes. This work provides the lattice constants as a function of temperature, quantifies the thermal expansion, and determines the equation describing the change in density for solid Li 2 BeF 4 from room temperature to 459°C to be ρ solid (kg m −3 ) = 2182 (3) − 0.115 (2) T (°C) and the volume expansion upon melting to be less than 5%. This density changes depending on molecular weight and enrichment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Duke Forest FACE (FACTS-I): Plant and Soil Response Data

This dataset describing the responses of plant and soil pools and fluxes to elevated atmospheric CO2 concentration and increased nitrogen supply was collected from Duke Forest Free Air CO2 Enrichment (FACE) – Forest-Atmosphere Carbon Transfer and Storage (FACTS-I) experiment from 1996 to 2012. The dataset includes data files for allometry (diameter at breast height, tree height, and height to live crown base), leaf area index, biomass (stem, branch, foliage, and root biomass, tree density, and basal area), net primary productivity (stem, branch, foliage, reproductive, and coarse root NPP), sap flux density, soil CO2 efflux, and stem temperature. Data files were formatted as .csv (Microsoft Excel or other spreadsheet programs can be used to read the format) and file descriptions, including variable name, unit, and data range, can be found in ‘FileDescription_[data_name].txt’ files. The Duke FACE experiment was in a loblolly pine (Pinus taeda L.) plantation established in 1983. Naturally regenerated broadleaved species including sweetgum (Liquidambar styraciflua L.) and tulip poplar (Liriodendron tulipifera L.), mostly in the overstory, and winged elm (Ulmus alata Michx.) and red maple (Acer rubrum L.) were common in the understory. The FACE experiment commenced with two plots (plots 7-8) in 1994 (Oren et al. 2001), with six additional plots (plots 1-6) coming online on 27 August 1996. CO2 enrichment was terminated on 31 October 2010 and post-enrichment data collection continued through 2012. Complete fertilization was applied annually to half of plots 7-8 from 1998 to 2004. The nutrient addition experiment expanded to half of plots 1-6 with a common protocol of N-fertilization in 2005 and continued until 2012. The levels of treatment in this dataset were expressed as ambient CO2 (AMB) or elevated CO2 (ELE) for CO2 treatment and control soil (CONT) or fertilized soil (FERT) for N treatment, respectively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Production of ice-nucleating particles (INPs) by fast-growing phytoplankton

Sea spray aerosol contains ice-nucleating particles (INPs), which affect the formation and proper ties of clouds. Here, we show that aerosols emitted from fast-growing marine phytoplankton produce effective immersion INPs, which nucleate at temperatures significantly warmer than the atmospheric homogeneous freezing (-38.0 °C) of pure water. Aerosol sampled over phytoplankton cultures grown in a Marine Aerosol Ref erence Tank (MART) induced nucleation and freezing at temperatures as high as -15.0 °C during exponential phytoplankton growth. This was observed in monospecific cultures representative of two major groups of phy toplankton, namely a cyanobacterium (Synechococcus elongatus) and a diatom (Thalassiosira weissflogii). Ice nucleation occurred at colder temperatures (-28.5 °C and below), which were not different from the freezing temperatures of procedural blanks, when the cultures were in the stationary or death phases of growth. Ice nucleation at warmer temperatures was associated with relatively high values of the maximum quantum yield of photosystem II ( Φ PSII ), an indicator of the physiological status of phytoplankton. High values of Φ PSII indicate the presence of cells with efficient photochemistry and greater potential for photosynthesis. For comparison, field measurements in the North Atlantic Ocean showed that high net growth rates of natural phytoplankton assemblages were associated with marine aerosol that acted as effective immersion INPs at relatively warm temperatures. Data were collected over 4 d at a sampling station maintained in the same water mass as the water column stabilized after deep mixing by a storm. Phytoplankton biomass and net phytoplankton growth rate (0.56 d -1 ) were greatest over the 24 h preceding the warmest mean ice nucleation temperature (-25.5 °C). Collectively, our laboratory and field observations indicate that phytoplankton physiological status is a useful predictor of effective INPs and more reliable than biomass or taxonomic affiliation. Ocean regions associated with fast phytoplankton growth, such as the North Atlantic during the annual spring bloom, may be significant sources of atmospheric INPs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The impact of freeze-thaw history on soil carbon response to experimental freeze-thaw cycles

This dataset contains data used for the paper "The impact of freeze-thaw history on soil carbon response to experimental freeze-thaw cycles". The Related References field will be updated with a full citation when available.Freeze-thaw is a disturbance process in cold regions where permafrost soils are becoming vulnerable to temperature fluctuations above 0˚C. Freeze-thaw alters soil physical and biogeochemical properties with implications for carbon persistence and emissions in Arctic landscapes. We examined whether different freeze-thaw histories in two soil systems led to contrasting biogeochemical responses under a laboratory-controlled freeze-thaw incubation. We investigated controls on soil organic matter (SOM) composition through Fourier-transform ion cyclotron resonance mass spectroscopy (FT-ICR-MS) to identify nominal carbon oxidation states and relative abundances of aliphatic-type carbon molecules in both surface and subsurface soils. Soil cores (~ 60 cm-depth) were sampled from two sites in Alaskan permafrost landscapes with different in situ freeze-thaw characteristics: Healy (>40 freeze-thaw cycles annually) and Toolik (<150 freeze-thaw cycles annually). FT-ICR-MS was coupled with in situ temperature data and soil properties (i.e., soil texture, mineralogy) to assess (1) differences in SOM composition associated with previous freeze-thaw history and (2) sensitivity to experimental freeze-thaw in the extracted cores. Control (freeze-only) samples showed greater carbon oxidation in Healy soils compared with Toolik, even in lower mineral horizons where freeze-thaw history was comparable across both sites. Healy showed the most loss of carbon compounds following experimental freeze-thaw in the lower mineral depths, including a decrease in aliphatics. Toolik soils responded more slowly to freeze-thaw as shown by intermediary carbon oxidation distributed across multiple carbon compound classes. Variations in the response of permafrost carbon chemistry to freeze-thaw is an important factor for predicting changes in soil function as permafrost thaws in high northern latitudes.This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/Erin-Rooney/FTC-FTICR (DOI 10.5281/zenodo.6533064).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Thermal conductance of interfaces between titanium nitride and group IV semiconductors at high temperatures

Measuring the temperature dependence of material properties is a standard method for better understanding the microscopic origins for that property. Surprisingly, only a few experimental studies of thermal boundary conductance at high temperatures exist. This lack of high temperature data makes it difficult to evaluate competing theories for how inelastic processes contribute to thermal conductance. To address this, we report time domain thermoreflectance measurements of the thermal boundary conductance for TiN on diamond, silicon-carbide, silicon, and germanium between 120 and 1000 K. In all systems, the interface conductance increases monotonically without stagnating at higher temperatures. For TiN/SiC interfaces, G ranges from 330 to 1000 MW/m2-K, with a room temperature conductance of 750 MW/m2-K. The interface conductance for TiN/diamond ranges from 140 to 950 MW/m2-K. Notably, for all four interfacial systems, the conductance continues to increase with temperature even after all phonon modes in the vibrationally soft material are thermally excited. This observation suggests that inelastic processes are significant contributors to the thermal conductance in all four interfacial systems, regardless of whether the materials forming the interface are vibrationally similar or dissimilar. Our study fills a notable gap in the literature for how interfacial conductance evolves at high temperatures and tests burgeoning theories for the role of inelastic processes in interfacial thermal transport.

Physics↗
DOE OSTI2019

Predicting dust emission using galactic 21 cm data

Understanding large-angular-scale galactic foregrounds is crucial for future CMB experiments aiming to detect B-mode polarization from primordial gravitational waves. Traditionally, the dust component has been separated using its different frequency dependence. However, using non-CMB observations has potential to increase fidelity and decrease the re-construction noise. In this exploratory paper we investigate the capability of galactic 21 cm observations to predict the dust foreground in intensity. We train a neural network to predict the dust foreground as measured by the Planck Satellite from the full velocity data-cube of galactic 21 cm emission as measured by the HI4PI survey. We demonstrate that information in the velocity structure clearly improves the predictive power over both a simple integrated emission model and a simple linear model. The improvement is significant at arc-minute scales but more modest at degree scales. Finally, this proof of principle on temperature data indicates that it might also be possible to improve foreground polarization templates from the same input data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Argon equation of state data to 1 TPa: Shock compression experiments and simulations

Argon is the most abundant noble gas on Earth and its noble, atomic fluid nature makes it an excellent candidate for comparison of experiment and theory at extreme conditions. For this study, we performed a combined computational and experimental study on shock compressed cryogenic liquid argon. Using Sandia's Z machine, we shock compressed liquid argon to 600 GPa and reshock states up to 950 GPa. Laser shock experiments at the Omega Laser facility extend the principal Hugoniot to 1000 GPa and provided temperature data along the principal Hugoniot. The plate impact experiments and laser shock experiments used well-characterized impedance matching standards and demonstrate consistent results between the two platforms over a common range. Density functional theory based molecular dynamics simulations provided additional data on the Hugoniot to 600 GPa. The combined experimental data and simulation results provide constraints on the development of new equation of state models at extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Technoeconomic assessment of distillation heat transfer intensification using aeroelastically fluttering reeds

Dry cooling, where forced air is the heat transfer medium, is a preferable cooling method in arid locations lacking readily available process water. However, such locations often experience high ambient temperatures that limit the effectiveness of air cooling. The objective of this study is to quantify the economic and energetic benefits of heat transfer intensification via the implementation of aeroelastically fluttering reeds to the air-cooled condenser of a methanol distillation column. Condenser size and performance, regarding recovered methanol and required fan power, is evaluated across condenser operating temperatures (T cond ) from 60 to 62°C and heat transfer coefficients (U) U base –2U base for a range of inlet air temperatures based on ambient temperature data from Yuma, Arizona. Under typical design sizing, condenser capital cost was reduced by 6%–35% (1.3U base –2U base ) and nominal methanol recovery was increased from 0.26% to 0.38% (T cond = 62–60°C). At optimized condenser size, all enhanced U and T cond pairs increase methanol recovery and reduce fan power costs compared to the optimal Ubase reference. Overall, using enhanced heat transfer to maintain condenser temperature under a wider range of inlet conditions, rather than to reduce operation temperature, produces more favorable performance. Methanol price is not a determining factor in which pairs are profitable. Analysis was repeated for a global warming scenario, revealing more valuable improvements under elevated temperatures. Energy savings from condenser improvement to a methanol production system are not significant with respect to an optimized conventional system. Furthermore, unit economic and energetic incentives suggest implementation of fluttering reeds may be justified in other applications.

42 ENGINEERING↗
DOE OSTI2021

Studying the effect of the upper internal structure design on thermal stratification in sodium fast reactors

Thermal stratification and mixing in large reactor pools can pose significant issues with regard to operation and safety of nuclear plants. While significant work has been done in this area on light water reactors it is more critical for sodium reactors and there is far less data with regard to low Prandtl number fluids. Here this paper focuses on the effect of the upper internal structure on the formation of thermal stratification in a scaled sodium fast reactor upper plenum. Six different upper internal structure configurations were tested to observe the effect on thermal stratification. The degree of stratification was quantified using the stratification number. Each configuration was tested from low to high flow rates at a temperature difference of 50 and 100 °C. Over this broad array of testing, it was observed that higher flow rates, more porosity in the upper internal structure design, and a smaller temperature difference yielded a lower degree of stratification. This information can be used to aid in the design of the upper internal structure in a sodium fast reactor. Furthermore, this high resolved temperature data can be used to verify models under prototypic low Prandtl numbers.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

An algorithm for physics informed scan path optimization in additive manufacturing

Site specific microstructure control is a critical research area within the field of additive manufacturing due to its potential to revolutionize part performance. One way to achieve site specific microstructure control is through control of the solidification conditions via the construction of intricate scan paths; however, the search space for such a problem is large. Previous attempts only considered the solidification conditions at the top surface while also requiring either lots of manual-fine tuning or large amounts of computational resources. This paper introduces a general method for scan path optimization which considers the solidification conditions in the bulk of the material without an increase in computational expense. This method consists of three core components:1. A heat transfer model for simulating the temperature field at a given time.2. A surrogate model which takes scan pattern information and temperature data and predicts the solidification conditions of the bulk as well as the meltpool depths for a spot melt.3. A decision algorithm to decide which spot melt should be printed next based on the outputs of the surrogate model.Each of these components can be changed without changing the overall method. Within this work, this method is applied in the creation of an algorithm containing a semi-analytic heat transfer model to simulate the temperature field, a fully convolutional neural network (FCNN) as the surrogate model, and a greedy decision algorithm. The resulting algorithm produced complex scan patterns which gave strong results for simulated microstructure control.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A simple Rice-Ashby ductile–brittle transition temperature (DBTT) model based on dislocation mobility for body-centered cubic complex concentrated alloys

A simple Rice-Ashby type model for ductile–brittle transition temperature (DBTT) of body-centered cubic (bcc) complex concentrated alloys (structures) is presented. The effect of accumulation of dislocation density on DBTT is also analyzed. The model results are compared with experimental yield stress vs. temperature data for four complex concentrated alloys: Nb 45 Ta 25 Ti 15 Hf 15 (NTTH), MoNbTaW, HfNbTaTiZr, NbTiZr and two pure bcc metals, Fe and W. It is shown that the DBTT behavior of these alloys and pure metals are in agreement with the simple ductility model presented in this manuscript. The DBTT model presented in this manuscript along with yield strength models for bcc complex concentrated alloys described in the literature should serve as a useful guide for designing such alloys with good high temperature strength and significant room temperature ductility.

Crack tip processes↗