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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Transport Simulations on Scanning Transmission Electron Microscope Images of Nanoporous Shale

Digital rock physics is an often-mentioned approach to better understand and model transport processes occurring in tight nanoporous media including the organic and inorganic matrix of shale. Workflows integrating nanometer-scale image data and pore-scale simulations are relatively undeveloped, however. In this paper, a workflow is demonstrated progressing from sample acquisition and preparation, to image acquisition by Scanning Transmission Electron Microscopy (STEM) tomography, to volumetric reconstruction to pore-space discretization to numerical simulation of pore-scale transport. Key aspects of the workflow include (i) STEM tomography in high angle annular dark field (HAADF) mode to image three-dimensional pore networks in µm-sized samples with nanometer resolution and (ii) lattice Boltzmann method (LBM) simulations to describe gas flow in slip, transitional, and Knudsen diffusion regimes. It is shown that STEM tomography with nanoscale resolution yields excellent representation of the size and connectivity of organic nanopore networks. In turn, pore-scale simulation on such networks contributes to understanding of transport and storage properties of nanoporous shale. Interestingly, flow occurs primarily along pore networks with pore dimensions on the order of tens of nanometers. Smaller pores do not form percolating pathways in the sample volume imaged. Apparent gas permeability in the range of 10−19 to 10−16 m2 is computed.

42 ENGINEERING↗
DOE OSTI2020

Reentrant pinning, dynamic row reduction, and skyrmion accumulation for driven skyrmions in inhomogeneous pinning arrays

In this work, we examine the dynamics of skyrmions in systems with a region of strong pinning coexisting with a pin-free region, where the equilibrium state has a uniform skyrmion density. Under an applied drive, skyrmions accumulate in the pin-free region along the edge of the pinned region due to the skyrmion Hall effect. As the drive increases, a series of dynamical structural transitions occur in the flowing skyrmion lattice similar to those observed in the compression dynamics of crystals. These transitions correspond to reductions in the number of flowing rows of skyrmions due to the collective motion of the skyrmions into the pinned region, and they are accompanied by a series of steps in the velocity force curves leading to a negative differential conductivity. When the number of pinning sites is sufficiently large, a drive-induced pinning effect can occur in which the skyrmion Hall effect forces all of the skyrmions to enter the strongly pinned region. This reentrant pinning effect becomes more pronounced for increasing intrinsic skyrmion Hall angle and larger pinning sites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Review of rotating wing dynamic stall: Experiments and flow control

Dynamic stall has been a technical challenge and a fluid dynamical subject of interest for more than fifty years; but in the last decade significant advances have been made in the understanding, prediction, modeling, and control of dynamic stall on rotors. This paper provides a summary of the state of the art of dynamic stall experiments and future directions in the understanding of dynamic stall on rotors. Experimental data sets are discussed, as well the direction of future research for control of dynamic stall. Coordinated testing between airfoils and rotating blades, as well as close integration between computational and experimental studies were found to be productive approaches. Advanced analysis methods, including statistical methods, modal representations, and artificial intelligence methods have led to significant advances in the understanding of dynamic stall. Investigations of dynamic stall control devices have allowed many useful targeted investigations of the transition to separated flow, but have not yet resulted in a commercially implemented device.

42 ENGINEERING↗
DOE OSTI2023

Improved representation of laminar and turbulent sheet flow in subglacial drainage models

Subglacial hydrology models struggle to reproduce seasonal drainage patterns that are consistent with observed subglacial water pressures and surface velocities. We modify the standard sheet-flow parameterization within a coupled sheet–channel subglacial drainage model to smoothly transition between laminar and turbulent flow based on the locally computed Reynolds number in a physically consistent way (the ‘transition’ model). We compare the transition model to standard laminar and turbulent models to assess the role of the sheet-flow parameterization in reconciling observed and modelled water pressures under idealized and realistic forcing. Relative to the turbulent model, the laminar and transition models improve seasonal simulations by increasing winter water pressure and producing a more prominent late-summer water pressure minimum. In contrast to the laminar model, the transition model remains consistent with its own internal assumptions across all flow regimes. Based on the internal consistency of the transition model and its improved performance relative to the standard turbulent model, we recommend its use for transient simulations of subglacial drainage.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Assessment and Improvement of the SST-Gamma Transition Model in Nalu-Wind

We conduct laminar–turbulent boundary-layer transition simulations using a local correlation-based transition model for two-dimensional incompressible flow and present enhancements to improve the accuracy of transition predictions. Menter’s Galilean-invariant 𝛾 transition model is implemented in the incompressible, unstructured-grid flow solver Nalu-Wind and is validated against experimental data and results from NASA’s flow solvers. The test cases of the AIAA Transition Prediction and Modeling Workshop are investigated, namely, the T3A/T3B flat plates and the NLF(1)-0416 and S809 airfoils. Based on the results, best practices for transition simulations, particularly for an unstructured-grid flow solver, are identified. Additional airfoil simulations are conducted for two wind turbine airfoils, S822 at Reynolds numbers of 𝑂⁡(10 5 ) and DU00-W-212 at Reynolds numbers of 𝑂⁡(10 7 ), to assess the model at low and high Reynolds numbers. Furthermore, through this work, we propose several approaches to enhance transition simulations, including 1) enforcing positivity of the implicit operator for the source terms of the transition model, 2) employing a constant turbulence intensity in stationary external flow simulations, and 3) recommending meshing for unstructured-grid flow solvers. Finally, we provide detailed documentation of the validation and data for the canonical cases to the transition modeling community.

17 WIND ENERGY↗
DOE OSTI2025

Catalytic hydrogenation of HMF to BHMF over copper catalysts

2,5-Bis(hydroxymethyl)furan (BHMF) is a bio-derived building block for polyester production, obtained via the hydrogenation of 5-hydroxymethylfurfural (HMF). First-principles thermodynamic equilibrium calculations indicate that this reaction is not thermodynamically limited under relevant conditions (e.g., 100 °C and high H 2 partial pressure). In this work, crude HMF was employed as the feedstock for BHMF synthesis. Initially, acidic impurities and humins were removed from unrefined HMF through filtration using a packed bed of γ-alumina. A comprehensive study of the filtration process is presented, including filtration kinetics, breakthrough curve analysis, and mathematical modeling. The purified HMF was subsequently hydrogenated over a 10 wt% CuZrO 2 catalyst, using ethanol as the reaction solvent. Batch reactions were first performed for collection of kinetic data to guide the transition to continuous flow operation. Kinetic data was collected in a fixed bed reactor at varying contact time, time on stream, temperature, and HMF concentration. This data was used to develop a kinetic model for HMF hydrogenation. Maximum BHMF production rates were achieved at 130 °C, accompanied by minor formation of byproducts from BHMF ring-opening reactions. The BHMF selectivity was 100 % at 100 °C although with lower reaction rates. Furthermore, catalyst stability tests revealed a loss of up to 50 % in catalytic activity within the first 24 h, likely due to the adsorption of HMF-derived oligomers that are not easily removed by filtration.

Crude HMF filtration↗
DOE OSTI2020

HTR solver: An open-source exascale-oriented task-based multi-GPU high-order code for hypersonic aerothermodynamics

In this study, the open-source Hypersonics Task-based Research (HTR) solver for hypersonic aerothermodynamics is described. The physical formulation of the code includes thermochemical effects induced by high temperatures (vibrational excitation and chemical dissociation). The HTR solver uses high-order TENO-based spatial discretization on structured grids and efficient time integrators for stiff systems, is highly scalable in GPU-based supercomputers as a result of its implementation in the Regent/Legion stack, and is designed for direct numerical simulations of canonical hypersonic flows at high Reynolds numbers. Additionally, the performance of the HTR solver is tested with benchmark cases including inviscid vortex advection, low- and high-speed laminar boundary layers, inviscid one-dimensional compressible flows in shock tubes, supersonic turbulent channel flows, and hypersonic transitional boundary layers of both calorically perfect gases and dissociating air.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Plasmon-Induced Resonance Energy Transfer in Hybrid Nanomaterials

Plasmon-induced resonance energy transfer (PIRET) has emerged as a powerful mechanism for harnessing and redirecting plasmon energy before it dissipates into hot carriers or heat. By matching plasmon resonance frequencies with acceptor absorption bands, PIRET extends plasmon-driven processes beyond the charge transfer pathway, enabling selective energy flow into excitonic transitions. Here, this review highlights important progress in elucidating the fundamental plasmon decay processes and transitioning them into hybrid nanomaterials under PIRET. Employing specialized single-particle spectroscopic techniques based on scattering, extinction, and emission enables demonstration of PIRET in the face of competing mechanisms, such as interfacial charge transfer and thermalization. Finally, we complete this review by addressing strategies for active modulation of PIRET and present applications, ranging from plasmon photocatalysis to intracellular biochemical sensing.

Energy transfer↗
DOE OSTI2022

On the effect of mixing-driven vaporization in a homogeneous relaxation modeling framework

The homogeneous relaxation model (HRM) is one of the most widely used models to describe the liquid–gas phase transition in multiphase flows due to the occurrence of cavitation. However, in its original formulation, the HRM does not account for the presence of ambient gas species, which generally limits its applicability to the injector's internal flow where ambient gases are negligible. In this work, a mixing-driven vaporization (MDV) model was developed to extend the capability of the HRM in handling the mixing effect in the regions external to the nozzle, where vapor–liquid equilibrium for multi-species mixtures of fuel and ambient gas is considered. Herein, to assess the model performance, simulations of the Engine Combustion Network's Spray G injector were performed with the HRM and the MDV model under both flash-boiling and evaporating conditions. It was found that the MDV model led to a better match against x-ray measurements of fuel density in the near-nozzle region. In contrast to the HRM, the MDV model was able to reproduce the vaporization process in the mixing zone at the edge of the fuel jet, which aligns with the expected physics. This resulted in substantial differences in the prediction of other flow characteristics such as mixture temperature and pressure. Furthermore, this work demonstrates that evaporation timescales have a considerable effect on the MDV model's predictions, as shown by a parametric study in which a time factor was introduced to mimic the effect of different timescales due to different phase change mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Alignment of the magnetic field in star-forming regions and why it might be difficult to observe

ABSTRACT Magnetic fields are an important component of the interstellar medium (ISM) and exhibit strongly varying field strengths and a non-trivial correlation with the gas density. Its dynamical impact varies between individual regions of the ISM and correlates with the orientation of the field with respect to the gas structures. Using high-resolution magneto-hydrodynamical simulations of the ISM, we explore the connection between the orientation of the field and the dynamical state of the gas. We find that the onset of gravitational instability in molecular gas above a density of $\rho \sim 10^{-21}\, \mathrm{g\, cm}^{-3}$$(n\sim 400\, \mathrm{cm}^{-3})$ coincides with an alignment of the magnetic field lines and the gas flow. At this transition, the gradient of the density changes from mainly perpendicular to preferentially parallel to the field lines. A connection between the three-dimensional alignment and projected two-dimensional observables is non-trivial, because of a large dispersion of the magnetic field orientation along the line of sight. The turbulent correlation lengths can be small compared to the typical integration lengths. As a consequence, the small-scale signal of the orientation can sensitively depend on the line of sight or the dynamical state of the cloud can fluctuate stochastically or be completely averaged out. With higher spatial resolution more small-scale structures are resolved, which aggravates the link between magneto-hydrodynamical quantities and projected observables.

Girichidis, Philipp (ORCID:0000000293009914)↗
DOE OSTI2022

Noninvasive Imaging of a Liquid Jet

Liquid jets are found in many applications, from printing to manufacturing to entertainment. Herein this study uses three different noninvasive imaging modalities to compare resulting images of a liquid jet operating at three Reynolds numbers that cover laminar, transitional, and turbulent flow. Selected measurement quantities from each image type are also compared. High-speed backlit (BL) imaging is a simple imaging technique found in many laboratories, and this is compared to two high-speed X-ray imaging techniques, white beam (WB) imaging and focused beam (FB) radiography. BL imaging can provide a wide field of view and is easy to implement, but it only shows the presence or absence of liquid. WB imaging can show detailed contours on the surface of the liquid jet, but the imaging region is much smaller. FB radiography produces a point-source measurement and can provide the quantitative, instantaneous local liquid path length, termed the equivalent path length (EPL). All three techniques provide similar measures of jet thickness, with the FB measurements having less variation. FB measurements can also provide detailed cross sections of the average liquid jet thickness at high spatial resolutions.

42 ENGINEERING↗
DOE OSTI2020

Threading–Unthreading Transition of Linear-Ring Polymer Blends in Extensional Flow

Adding small amounts of ring polymers to a matrix of their linear counterparts is known to increase the zero-shear-rate viscosity because of linear-ring threading. Uniaxial extensional rheology measurements show that, unlike its pure linear and ring constituents, the blend exhibits an overshoot in the stress growth coefficient. By combining these measurements with ex-situ small-angle neutron scattering and nonequilibrium molecular dynamics simulations, this overshoot is shown here to be driven by a transient threading–unthreading transition of rings embedded within the linear entanglement network. Prior to unthreading, embedded rings deform affinely with the linear entanglement network and produce a measurably stronger elongation of the linear chains in the blend compared to the pure linear melt. Thus, rings uniquely alter the mechanisms of transient elongation in linear polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fluctuations and power-law scaling of dry, frictionless granular rheology near the hard-particle limit

Here the flow of frictionless granular particles is studied with stress-controlled discrete element modeling simulations for systems varying in size from 300 to 100,000 particles. The volume fraction and shear-stress ratio μ are relatively insensitive to system size for a wide range of inertial numbers I. Second-order effects in strain rate, such as normal stress differences, require large system sizes to accurately extract meaningful results, notably a nonmonotonic dependence in the first normal stress difference with strain rate. The rheological response represented by the μ(I) scalar model works well at describing the lower-order aspects of the rheology, except near the quasistatic limit of these stress-controlled flows. The pressure is varied over five decades, and a pressure dependence of the coordination number is observed, which is not captured by the inertial number. Large fluctuations observed for small systems N≤1000 near the quasistatic limit can lead to the arrest of flow resulting in challenges to fitting the data to rheological relationships. The inertial number is also insufficient for capturing the pressure-dependent behavior of property fluctuations. Fluctuations in the flow and microstructural properties are measured in both the quasistatic and inertial regimes, including shear stress, pressure, strain rate, normal stress differences, volume fraction, coordination number, and contact fabric anisotropy. The fluctuations in flow properties scale self-similarly with pressure and system size. A transition in the scaling of fluctuations of stress properties and contact fabric anisotropy are measured and proposed as a quantitative identification of the transition from inertial to quasistatic flow.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Heat transfer and pseudo phase transition for low-Reynolds, mixed-convection channel flow in the supercritical thermodynamic regime

Fluids at supercritical thermodynamic conditions are inherently complex due to the large variations in thermodynamic and transport properties. Multiple recent numerical and experimental investigations indicate ongoing interest for these fluids, especially supercritical CO and supercritical water, for a variety of applications. The potential heat transfer benefits in this regime are directly influenced by the extreme variations in thermodynamic and transport properties, which occur at, and above, the critical point. Limited studies have been conducted for low-Reynolds/intermediate-Rayleigh numbers mixed-convection channel flow of supercritical water, which is the focus of this study. To investigate the thermally driven hydrodynamic instabilities in this regime, we use a high-order fully-implicit numerical method. As expected, in this channel configuration and flow regime, a competition arises between the forced and the natural convection. Buoyancy, driven by the thermal gradient at the wall, pushes the fluid upwards in the channel, while inertial forces drive the fluid from inlet to outlet. We observe significant differences in the heat transfer coefficient between the top and bottom walls of the channel flow, due to natural convection, and unstable plumes. We further quantify the buoyancy forces along the channel flow through evaluation of the Richardson number. Simulations show that with a higher negative Richardson number, there are more unstable structures along the channel, resulting in enhanced mixing. Furthermore, we demonstrate the existence of gas-like, liquid-like, and the possibility of pseudo-two-phase regimes in the supercritical fluid. The pseudo-two-phase regime occurs when the range of fluid temperatures is crossing the pseudo-critical line, also known as the Widom line. The density of the fluid varies significantly near the Widom line, and further influences the natural convection and heat transfer in the flow.

42 ENGINEERING↗
DOE OSTI2022

Dynamic Modeling, Parameter Estimation, and Data Reconciliation of a Supercritical Pulverized Coal-Fired Boiler

A high-fidelity, spatially distributed dynamic model of a supercritical pulverized coal-fired boiler was developed for calculating transient thermal profiles of the boiler tubes, which are often not measured or unmeasurable in industrial settings due to the harsh operating conditions. In this work, rigorous models of the subcritical and supercritical steam properties, which can be highly nonlinear, were used to capture the transition between two-phase and one-phase flow, respectively, as supercritical boilers frequently transition through the critical point during load-following operation. The transient boiler model was also used for data reconciliation and parameter estimation for the purpose of model validation against industrial data. An approach was developed to reduce the size of large-scale reconciliation problem by focusing on the implementation of bias terms for the reconciled variables, which can be estimated in place of the reconciled variables themselves. In addition, a functional approximation of the reconciliation problem was defined so that it can be more simply optimized. Combining this functional approximation optimization with reformulation of the reconciliation problem considering measurement biases can significantly improve the tractability of many such large-scale problems. The validated boiler model was then used to study transient responses under load-following operation with specific attention on the calculation of unmeasurable variables.

42 ENGINEERING↗
DOE OSTI2022

Shifts in hydropower operation to balance wind and solar will modify effects on aquatic biota

To avoid negative consequences to freshwater biota from climate change, society must complete the transition from fossil to renewable electricity sources. However, temporal patterns in hydropower generation (and flow releases that affect aquatic biota) may change with increased wind and solar penetration. We used power cost modeling to characterize current and future within-day and seasonal patterns in hydropower generation across the Eastern Interconnection in a wet and a dry year. Compared to the baseline, future hydropower generation across the grid decreased during the day and increased before dawn and after dusk. At a project level, such a pattern would suggest 'double peaking' operation (up- and down-ramping before dawn and after dusk, with lower releases midday). Variation in generation was higher in wet years than dry years, foreshadowing possible flow constraints on hydropower flexibility. At the grid scale, projected ramping rates were higher in all seasons. A review of the ecological literature suggests that these changes would shift the timing of invertebrate drift and elevate the risk of nest scouring during up-ramping and the risk of stranding or dewatering during down ramping. Thermal conditions may be moderated by increased ramping. Strategies for adapting to future shifts in the renewable portfolio range from re-regulation in reservoir cascades to providing flow refuge (structures and vegetation) below individual projects. Coordinated basin-scale operation can distribute peaking operation to maintain grid support while restricting local ramping at critical ecological times. In addition, research to design hybrid renewable systems that add battery storage is needed to understand how we can mitigate future risks to aquatic communities while promoting the use of renewable energy. This study, which is among the first to examine ecological side-effects of the shift to renewable energy in freshwater ecosystems, lays out a path toward understanding and navigating changes to flow regimes under the energy transition.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

SAS4A/SASSYS-1 Validation with the FFTF LOFWOS Tests #10-12

The FFTF liquid sodium cooled test reactor was built to assist the development and testing of advanced fuels and material for fast reactors. The goals of the FFTF Passive Safety Testing program included confirming the safety margins of FFTF as a liquid metal reactor, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of its specific design features. The program included thirteen unprotected loss of flow without scram tests. The results of modeling and simulation of LOFWOS Tests #10, #11, and #12 are presented in this report to support validation of Argonne’s SAS4A/SASSYS-1 fast reactor safety analysis code. These three tests did not use the primary loop pony motors and thus transitioned to natural circulation flow rates from varying initial power levels. This validation activity leverages modeling and simulation efforts that originated under an International Atomic Energy Agency Coordinated Research Project (CRP) for benchmark analysis of the FFTF LOFWOS Test #13. The SAS4A/SASSYS-1 model originally developed for the CRP has been extended to include LOFWOS Tests #10-12 and modernized to utilize new code features and modeling practices. Predicted results from SAS4A/SASSYS-1 were compared to measured test data and differences were investigated. Overall, it was concluded that, for LOFWOS Tests #10-12, there was good agreement between the flow, power, and temperature predictions and the measured data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Reducing ion diffusion at atmospheric pressure through intermingled positive and negative ions

Increasing ion molecule reaction times for ambient ionization techniques can increase sensitivity of detection. Longer reaction times result in an increase in analyte signal relative to the reactant ion signal, however with a subsequent decrease in the total ion intensity. This loss in the total number of ions reaching the detector limits the extent to which increased reaction time can improve detection in practical applications. In this study ion loss was measured using either electric fields or gas flow to control ion transit time. Ion transit times ranged from 40 ms to 8s, which resulted in ion densities ranging from 5 x 10 6 to 2 x 10 4 ions/cm 3 , respectively. These results provide insights into practical reaction time limitations or experimental boundaries when exploring sensitivity enhancements in ambient ionization. When exploring longer reaction times with an atmospheric flow tube coupled to a mass spectrometer (AFT-MS), an additional corona discharge ionization source of the same polarity was added in an attempt to increase total ion signal, but no improvement in signal was observed. This observation suggested that there was a maximum ion density being reached by the corona discharge that could not be increased by adding more of the same polarity ions. A hypothesis was that intermingling both polarities of ions would reduce ion loss and increase the measured ion signal. When two corona discharge sources—one each of positive and negative polarity—were used simultaneously in an AFT-MS, the total ion signal of either polarity measured by the MS was approximately double the current from a single corona discharge source. An increase in the negative ion signal was also observed when ~10 parts-per-trillion vapor levels of an explosive (RDX) were introduced. In this case both the nitrate reactant ions and the RDX signal more than doubled with the addition of a corona discharge source producing positive ions. When intermingling positive and negative ions, an increase in ion current was also observed when the AFT was coupled directly to a Faraday detector or to an ion mobility spectrometer. This was the first demonstration of interfacing the AFT to an IMS. The observations and developments from this work will help in creating more portable instruments with improved sensitivity for detection of chemicals.

47 OTHER INSTRUMENTATION↗