Search NASA⌕ Search

SEARCH · Search NASA

Results for “mixing demonstration”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Multi-faceted framework for extrapolating early age flexural strength to facilitate rapid lifting/handling of high-volume fly ash precast members

Maintaining adequate early-age structural performance for precast concrete components has grown in importance as more sustainable mix designs become more widespread. Achieving high-early flexural strength is particularly crucial to facilitate rapid removal of hardened concrete components from formwork, often within 24 h after fresh concrete placement. Limited research has assessed the effectiveness of traditional design methods in correlating flexural strength with compressive strength for next-generation mix designs, or demonstrated extrapolation of such material performance to larger-scale structural tests. This paper presents a multi-faceted framework to reassess early-age flexural strength for concretes made with relatively high proportions of fly ash from both fresh and harvested sources. Here, the framework provides several pathways, from which the user can select based upon available resources and the specific application, to improve accuracy of early-age cracking moment calculations. Furthermore, the scope includes evaluation of strength performance under curing conditions emulative of those in a precast facility, recommending modulus of rupture equations which are more performance-driven than current design provisions, and experimental tests on prefabricated concrete beams to validate the proposed methodologies. Correlations of early-age strength with both concrete age and maturity measurements compare the effectiveness of utilizing in-situ data to further enhance the prediction methods. Ultimately, the proposed framework helped reduce errors when calculating cracking moment capacity at early ages by tailoring calculations to reflect mix-dependent behavior. Furthermore, most estimates of cracking moment were within 25 % of their corresponding experimental test results, thus promoting confidence for using these strategies with high-volume fly ash precast structures.

42 ENGINEERING↗
DOE OSTI2025

Effects of break geometry and orientation on helium-air mixing in simulated reactor cavities of high temperature gas reactors

Here, this study experimentally examined the spatial and temporal variations in air and helium concentrations and temperature fields within simulated reactor cavities of a High Temperature Gas Reactor (HTGR) following helium discharge into an initially air-filled reactor cavity system. Detailed temperature maps were generated using a combination of fiber optics temperature sensor and multiple thermocouple probes within the simulated reactor cavities. The research scenario involved a hypothetical small pipe break in the Reactor Pressure Vessel, resulting in the release of high-temperature helium into the surrounding cavity. A scaled multi-compartment experimental facility, modeled after the General Atomics Modular High Temperature Gas Reactor (GA-MHTGR) design, was constructed for helium and air mixing experiments. Oxygen sensors and thermocouple probes were installed in all five cavities to measure the concentrations of oxygen (or helium) and the temperature distributions of the gas mixture. The experimental findings highlighted the significant impact of the injected helium jet velocity on the gas mixing process and demonstrated how the direction of the helium jet influences the air-helium temperature profiles within the cavities.

Air-ingress↗
DOE OSTI2023

An innovative carbonated cementitious material and its printability and carbon mineralization capacity

The main goal of this research is to develop a carbonated cementitious material (CCMs) mix design and demonstrate its rapid stiffening for manufacturing 3D printed or precast elements for building construction (i.e., concrete with enhanced durability and CO 2 capture efficiency). The material development employs hydrated Ca(OH) 2 , and its distinct reaction with CO 2 to form CaCO 3 . Different formulations and additives including polymer materials enable the thermomechanical properties that give these CCMs 3D printability comparable with cement materials used for similar applications. Here, printable and castable CCM formulations were successfully developed and demonstrated to mineralize CO 2 to form up to 57% CaCO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spatiotemporal 4D Whole-cell Modeling of a Minimal Autotroph Reveals Central Carbon Metabolism Regulated Locally by Protein Megacomplexes via Post-translational Modifications under Light Disturbance

Photosynthetic microorganisms rely on multiple pathways in central carbon metabolism to adapt to fluctuating light and energy availability across diel cycles. Mechanistic insight into the regulatory dynamics of this adaptation requires integrating processes spanning disparate timescales, from rapid redox-dependent post-translational modifications (PTMs) to slower changes in protein expression and metabolic pathway usage. To address this complexity beyond genome-based inference and traditional modeling, we develop a whole-cell four-dimensional (3D + time) model of the marine cyanobacterium Prochlorococcus marinus MED4 that explicitly represents the spatial organization of enzymatic and molecular processes in central carbon metabolism under light perturbation. We employ a perturbation-based research design to experimentally generate time-series, multi-omics measurements that provide molecular descriptors and cryo-ET derived 3D segmented volumes as constraints for this dynamic 4D framework. The integration of experiments and modeling across defined light regimes enables quantitative validation of system-level responses and forecasting under distinct light disturbances. We test the hypothesis that light-dependent redox PTMs regulating the structural assembly of a protein megacomplex, the “dark complex,” modulate metabolic flux at a conserved regulatory node of the Calvin–Benson cycle (CBC) in cyanobacteria. Our model shows that subcellular spatial organization buffers rapid light-induced changes in thylakoid reaction rates, which are followed by redox-PTM-mediated sequestration or release of CBC enzymes in the dark complex, ultimately impacting carbon fixation dynamics within carboxysomes. Comparison with an equivalently parameterized well-mixed stochastic model demonstrates that post-translational regulation not only buffers transcriptional noise and diffusion-driven fluctuations but also stabilizes phenotypic outcomes, underscoring the importance of spatial heterogeneity in phenotypic robustness. This ability to probe adaptive, spatiotemporally resolved mechanisms in photosynthetic machinery and central carbon metabolism addresses a critical gap in genotype-to-phenotype inference and expands modeling and design capabilities for understudied or genetically intractable autotrophs such as P. marinus MED4.

Johnson, Connah G.↗
DOE OSTI2020

Controlling the Interface between Salts, Solvates, Co-crystals, and Ionic Liquids with Non-stoichiometric Protic Azolium Azolates [Plus Supporting Information]

In this work, a non-stoichiometric approach to control the solid-state behavior of protic ionic liquids (PILs) was demonstrated by direct mixing of 4,5-dicyanoimidazole (HDCNim) with either 1-ethylimidazole (C 2 im) or 1-butylimidazole (C 4 im) in different mole fractions. Isolation and characterization of three crystalline materials (all having melting points < 100 °C, thus fitting the PIL definition) revealed three different but closely related systems. The structure of [HC 2 im][DCNim] consists of a confused proton system, which is so named for the fast proton exchange between basic and acidic fragments and the formation of hydrogen-bonded anionic oligomers. The compound [HC 2 im][DCNim]·HDCNim consists of an oligomeric delocalized anion (a confused proton located between two azole fragments, in which one acts as a neutral moiety while the other as an ionic fragment, DCNim-H-DCNim) and [HC 4 im][DCNim]·HDCNim can be classified as a salt co-crystal. We believe that these observations will allow a deeper understanding of the behavior of “confused protons” and provide additional strategies for controlling the properties of important classes of materials such as active pharmaceutical ingredients.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Waste PET Chemical Processing to Terephthalic Amides and Their Effect on Asphalt Performance

The large amount of waste generated from polyethylene terephthalate (PET) packaging materials that have reached the end of life is creating a waste management issue that cannot be handled by mechanical recycling alone. Thus, it is imperative that alternate routes to recover and reuse these materials be pursued. A chemical recycling approach of mixed PET was demonstrated here that provides a mechanism by which PET waste can be efficiently recovered and repurposed to value-added products. The approach utilizes aminolysis of PET with a variety of amine nucleophiles, generating a small library of phthalimides with unique structures. In order to probe the high value of these products, the phthalimides were added to road-grade asphalt binder at 5 wt% and the resulting composite was evaluated. Specifically, rutting and fatigue characteristics as well as thermomechanical and creep performance were characterized and found to be improved by the inclusion of these additives by as much as 18%. In this work, additives made from deconstructed PET wastes were shown to improve the performance properties of asphalt at a variety of environmental conditions. These improvements would reduce the cost of road maintenance and provide a high-value market for waste PET. It is important to note that the asphalt binder utilized in this work was a commercial product already optimized for road conditions, not the raw bitumen; perhaps higher performance metrics could be obtained with virgin bitumen.

Recycling, Asphalt↗
DOE OSTI2025

Can Biogeochemical Tracer Observations Constrain Southern Ocean Diapycnal Mixing Rates?

Abstract Direct observations of background diapycnal mixing rates in the Southern Ocean (SO) are limited spatially and temporally, making the choice of an appropriate value to parameterize this mixing in Earth system models a challenge. However, the deployment of Argo floats throughout the SO has provided an extensive range of observations of both physical and biogeochemical parameters. We use an ocean state estimate run with various background diapycnal mixing coefficients to assess if biogeochemical tracer observations can be used to better constrain SO diapycnal mixing rates. We find that vertical tracer distributions in the SO are highly sensitive to the rate of background diapycnal mixing and can provide an upper limit on background mixing rates. This demonstrates the importance of biogeochemical tracer observations throughout the full depth of the water column to validate ocean models.

Ellison, Elizabeth [The Australian National Univer↗
DOE OSTI2022

The initial charge separation step in oxygenic photosynthesis

Photosystem II is crucial for life on Earth as it provides oxygen as a result of photoinduced electron transfer and water splitting reactions. The excited state dynamics of the photosystem II-reaction center (PSII-RC) has been a matter of vivid debate because the absorption spectra of the embedded chromophores significantly overlap and hence it is extremely difficult to distinguish transients. Here, we report the two-dimensional electronic-vibrational spectroscopic study of the PSII-RC. The simultaneous resolution along both the visible excitation and infrared detection axis is crucial in allowing for the character of the excitonic states and interplay between them to be clearly distinguished. In particular, this work demonstrates that the mixed exciton-charge transfer state, previously proposed to be responsible for the far-red light operation of photosynthesis, is characterized by the Chl D1 + Phe radical pair and can be directly prepared upon photoexcitation. Further, we find that the initial electron acceptor in the PSII-RC is Phe, rather than P D1 , regardless of excitation wavelength.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Hadronic uncertainties versus new physics for the W boson mass and Muon g – 2 anomalies

There are now two single measurements of precision observables that have major anomalies in the Standard Model: the recent CDF measurement of the W mass shows a 7σ deviation and the Muon g – 2 experiment at FNAL confirmed a long-standing anomaly, implying a 4.2σ deviation. Doubts regarding new physics interpretations of these anomalies could stem from uncertainties in the common hadronic contributions. We demonstrate that these two anomalies pull the hadronic contributions in opposite directions by performing electroweak fits in which the hadronic contribution was allowed to float. The fits show that including the g – 2 measurement worsens the tension with the CDF measurement and conversely that adjustments that alleviate the CDF tension worsen the g – 2 tension beyond 5σ. This means that if we adopt the CDF W mass measurement, the case for new physics in either the W mass or muon g – 2 is inescapable regardless of the size of the SM hadronic contributions. Lastly, we demonstrate that a mixed scalar leptoquark extension of the Standard Model could explain both anomalies simultaneously.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

No 182W evidence for early Moon formation

The Moon-forming giant impact was probably the last major event in Earth’s accretion, so dating this event is critical to determine the timeline of terrestrial planet formation. Recently, Thiemens et al. used the short-lived 182 Hf– 182 W system to argue that the Moon formed within the first 60 Myr of Solar System history. Here we demonstrate, however, that mixing processes during and after the giant impact modified the 182W compositions of the Earth and Moon, which hampers the use of the Hf–W system to date the Moon. Our results show that the lunar 182 W record is fully consistent with a recently determined, younger age of the Moon of 142 ± 25 Myr after Solar System formation.

58 GEOSCIENCES↗
DOE OSTI2023

Gravity-driven controls on fluid and carbonate precipitation distributions in fractures

Abstract Many challenges related to carbon-dioxide ( $$\hbox {CO}_2$$ CO 2 ) sequestration in subsurface rock are linked to the injection of fluids through induced or existing fracture networks and how these fluids are altered through geochemical interactions. Here, we demonstrate that fluid mixing and carbonate mineral distributions in fractures are controlled by gravity-driven chemical dynamics. Using optical imaging and numerical simulations, we show that a density contrast between two miscible fluids causes the formation of a low-density fluid runlet that increases in areal extent as the fracture inclination decreases from 90 $$^\circ$$ ∘ (vertical fracture plane) to 30 $$^\circ$$ ∘ . The runlet is sustained over time and the stability of the runlet is controlled by the gravity-driven formation of 3D vortices that arise in a laminar flow regime. When homogeneous precipitation was induced, calcium carbonate covered the entire surface for horizontal fractures (0 $$^\circ$$ ∘ ). However, for fracture inclinations greater than 10 $$^\circ$$ ∘ , the runlet formation limited the areal extent of the precipitation to less than 15% of the fracture surface. These insights suggest that the ability to sequester $$\hbox {CO}_2$$ CO 2 through mineralization along fractures will depend on the fracture orientation relative to gravity, with horizontal fractures more likely to seal uniformly.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions

First-principles modeling of nonlinear optical spectra in the condensed phase is highly challenging because both environment and vibronic interactions can play a large role in determining spectral shapes and excited state dynamics. In this work, we compute two dimensional electronic spectroscopy (2DES) signals based on a cumulant expansion of the energy gap fluctuation operator, with specific focus on analyzing mode mixing effects introduced by the Duschinsky rotation and the role of the third order term in the cumulant expansion for both model and realistic condensed phase systems. We show that for a harmonic model system, the third order cumulant correction captures effects introduced by a mismatch in curvatures of ground and excited state potential energy surfaces, as well as effects of mode mixing. We also demonstrate that 2DES signals can be accurately reconstructed from purely classical correlation functions using quantum correction factors. We then compute nonlinear optical spectra for the Nile red and methylene blue chromophores in solution, assessing the third order cumulant contribution for realistic systems. We show that the third order cumulant correction is strongly dependent on the treatment of the solvent environment, revealing the interplay between environmental polarization and the electronic-vibrational coupling.

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

Cooling Design and Thermal Analysis for Thermal Shields of a Cryocooler-Cooled Superconducting ECR Ion Source MARS-D Magnet

Here, a demonstrative NbTi based Mixed Axial and Radial field System (MARS-D) is being developed for a next-Generation Electron Cyclotron Resonance Ion Source (ECRIS) at Lawrence Berkeley National Laboratory (LBL), which employs a novel closed-loop coil design scheme that more efficiently utilizes conductor fields and extend the application of NbTi for high frequency (up to 45 GHz) ECR operation. The NbTi MARS-D magnet consists of a single hexagonally shaped closed-loop coil and a set of auxiliary solenoids. A cryostat for cooling the MARS-D magnet is under design at LBL. The MARS-D magnet working around 4.2 K will be bath-cooled in liquid helium using multiple two-stage cryocoolers. An intermediate temperature thermal radiation shield is adopted to reduce the heat leakage imposed on 4.2 K coil cold mass from room temperature. The thermal shield is conduction-cooled by the first-stage cold heads of four two-stage cryocoolers and the cold head of a single-stage cryocooler shared with nine binary leads. The temperature in the area of the shield that warm ends of HTS leads are mounted on is expected no higher than 60 K, which is limited by maximum allowable working temperature of HTS leads. The paper presents thermal analysis on the thermal radiation shield including heat loads and effects of eddy current induced during quench on its material selection.

ECRIS↗
DOE OSTI2025

Low Activity Tritium Detection in CCDs Using Deep Learning Techniques

Here, this study explores the use of charge-coupled devices (CCDs) for detecting low-energy beta particles from tritium decay - a critical signal for nuclear safety, nuclear nonproliferation, and environmental monitoring. We employ a dual approach utilizing both measured CCD data and detailed Geant4 simulations. Our analysis compares classical techniques with advanced deep learning methods, including convolutional neural networks (CNNs), autoencoders trained exclusively on tritium data, and preliminary studies on boosted decision trees (BDTs). The CNN, trained on mixed signal/background datasets, demonstrates superior classification performance, while the autoencoder shows the potential of unsupervised, background-agnostic strategies when background characteristics are poorly defined. These results highlight the excellent sensitivity achievable thanks to the background rejection made possible by information-rich CCD data, paving the way for improved portable tritium monitoring.

Autoencoder↗
DOE OSTI2021

Improved Prediction of Cold-Air Pools in the Weather Research and Forecasting Model Using a Truly Horizontal Diffusion Scheme for Potential Temperature

The terrain-following vertical coordinate system used by many atmospheric models, including the Weather Research and Forecasting (WRF) Model, is prone to errors in regions of complex terrain. These errors stem, in part, from the calculation of horizontal gradients within the diffusion term of the momentum or scalar evolution equations. In WRF, such gradients can be calculated along coordinate surfaces, or using metric terms that help account for grid skewness. However, neither of these options ensures a truly horizontal gradient calculation, especially if a grid cell is skewed enough that the heights of the neighboring grid points used in the calculation fall outside the vertical range of the cell. In this work, an improved scheme that uses Taylor series approximations to vertically interpolate variables to the level necessary for a truly horizontal gradient calculation is implemented in WRF for the diffusion of potential temperature. The scheme is validated using an atmosphere-at-rest configuration, in which spurious flows develop only as a result of numerical errors and can thus be used as a proxy for model performance. Following validation, the method is applied to the simulation of cold-air pools (CAPs), which occur in regions of complex terrain and are characterized by strong near-surface temperature gradients. Using the truly horizontal scheme, idealized simulations demonstrate reduced numerical mixing in a quiescent CAP, and a realistic case study in the Columbia River basin shows a reduction in positive wind speed bias by up to roughly 20% compared to observations from the Second Wind Forecast Improvement Project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y alloys

This dataset contains input and output files from density functional theory (DFT) simulations used to study the disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y (0 ≤ x + y ≤ 1) alloys and their binary end members MnTe, MnSb, and MnBi. The alloys adopt the hexagonal NiAs-type (nickeline) structure and span ternary (MnTexSb1-x, MnTexBi1-x, MnBixSb1-x), and quaternary compositions across the full MnTe–MnSb–MnBi composition triangle. For each alloy composition, the dataset provides DFT calculations in three magnetic configurations: A-type antiferromagnetic (AFM), C-type AFM, and ferromagnetic (FM). Every magnetic configuration folder contains the fully relaxed crystal structure (CONTCAR), VASP input parameters (INCAR), and the main VASP output file (OUTCAR), from which total electronic energies, Mn magnetic moments, lattice parameters, and percent volume changes between magnetic states are extracted. These data are used to construct compositional phase diagrams, evaluate thermodynamic stability (formability), and map magnetoelastic responses across the alloy space. For A-type AFM and FM configurations, additional data are provided as follows: (i) FORCE_CONSTANTS and thermal_properties.yaml files at the top level of A-type_AFM/ and FM/ folders — present only for compositions marked with an asterisk (*) in Table I of the main text. These are derived from Phonopy finite-displacement calculations on full disordered 128-atom supercells and provide vibrational free energy, entropy (Svib)contribution from explicit disorder calculations. (Table I of the associated main manuscript) (ii) A VCA/ subfolder within A-type_AFM/ and FM/, containing FORCE_CONSTANTS and thermal_properties.yaml from Virtual Crystal Approximation phonon calculations (without spin-orbit coupling). VCA data are available for all compositions and are used to estimate vibrational contributions to the Gibbs free energy across the full composition space. (iii) A SOC/ subfolder containing CONTCAR, INCAR, and OUTCAR from spin-orbit coupling calculations, providing relativistic corrections to electronic energies and lattice parameters (Tables S2–S3 of the SM, and Table I of the main manuscript). (iv) A SOC/VCA/ subfolder containing FORCE_CONSTANTS and thermal_properties.yaml from VCA phonon calculations performed within the SOC framework, combining relativistic and vibrational thermodynamic corrections. The computed properties are used to map the AFM–FM magnetic crossover near MnTe0.75Sb0.25, demonstrate disorder- and spin-induced phonon broadening, identify a semiconductor-to-metal crossover, and quantify the pronounced magnetoelastic volume response near the magnetic phase boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Validation Simulations for Multi-Component Mixture Model [Slides]

Set up and ran a large, 3D, 3 component Rayleigh-Taylor Mixing Simulation: Match initial conditions from; Run with multiple mesh sizes to demonstrate convergence to expected mixing layer growth rate. Wrote and tested new FLAG capability to enforce a specified temporal temperature profile.

42 ENGINEERING↗
DOE OSTI2023

Dimming the Lights: 2D Simulations of Deflagrations of Hybrid C/O/Ne White Dwarfs Using FLASH

The dimmest and most numerous outlier of the Type Ia supernova population, the Type Iax event, is increasingly being found in the results of observational campaigns. There is currently no single accepted model to describe these events. This 2D study explores the viability of modeling Type Iax events as a hybrid C/O/Ne white dwarf progenitor undergoing a deflagration using the multiphysics software FLASH. This hybrid was created using the stellar evolution code MESA, and its C-depleted core and mixed structure have demonstrated lower yields than traditional C/O progenitors in previous deflagration-to-detonation studies. To generate a sample, 30 “realizations” of this simulation were performed, the only difference being the shape of the initial match head used to start the deflagration. Consistent with earlier work, these realizations produce the familiar hot dense bound remnant surrounded by sparse ejecta. Our results indicate that the majority of the star remains unburned (∼70%) and bound (>90%). Our realizations produce total ejecta yields on the order of 10 −2 –10 −1 M ☉ , ejected 56 Ni yields on the order of 10 −4 –10 −2 M ☉ , and ejecta kinetic energies on the order of 10 48 –10 49 erg. Compared to yields inferred from recent observations of the dimmest Type Iax events—SN 2007qd, SN 2008ha, SN 2010ae, SN 2019gsc, SN 2019muj, SN 2020kyg, and SN 2021fcg—our simulation produces comparable 56 Ni yields but too-small total yields and kinetic energies. Reignition of the remnant is also seen in some realizations.

Hydrodynamical simulations↗