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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
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 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 OSTI2024

Modeling scale-up of particle coating by atomic layer deposition

Atomic layer deposition (ALD) is a promising technique to functionalize particle surfaces for energy applications including energy storage, catalysis, and decarbonization. In this work, we present a set of models of ALD particle coating to explore the transition from lab scale to manufacturing. Our models encompass the main particle coating manufacturing approaches including rotary bed, fluidized bed, and continuously vibrating reactors. These models provide key metrics, such as throughput and precursor utilization, required to evaluate the scalability of ALD manufacturing approaches and their feasibility in the context of energy applications. Our results show that designs that force the precursor to flow through fluidized particles transition faster to a transport-limited regime where throughput is maximized. They also exhibit higher precursor utilization. In the context of continuous processes, our models indicate that it is possible to achieve self-extinguishing processes with almost 100% precursor utilization. A comparison with past experimental results of ALD in fluidized bed reactors shows excellent qualitative and quantitative agreement.

25 ENERGY STORAGE↗
DOE OSTI2024

Magneto-Stokes flow in a shallow free-surface annulus

In this study, we analyse ‘magneto-Stokes’ flow, a fundamental magnetohydrodynamic (MHD) flow that shares the cylindrical-annular geometry of the Taylor–Couette cell but uses applied electromagnetic forces to circulate a free-surface layer of electrolyte at low Reynolds numbers. The first complete, analytical solution for time-dependent magneto-Stokes flow is presented and validated with coupled laboratory and numerical experiments. Three regimes are distinguished (shallow-layer, transitional and deep-layer flow regimes), and their influence on the efficiency of microscale mixing is clarified. The solution in the shallow-layer limit belongs to a newly identified class of MHD potential flows, and thus induces mixing without the aid of axial vorticity. We show that these shallow-layer magneto-Stokes flows can still augment mixing in distinct Taylor dispersion and advection-dominated mixing regimes. The existence of enhanced mixing across all three distinguished flow regimes is predicted by asymptotic scaling laws and supported by three-dimensional numerical simulations. Mixing enhancement is initiated with the least electromagnetic forcing in channels with order-unity depth-to-gap-width ratios. If the strength of the electromagnetic forcing is not a constraint, then shallow-layer flows can still yield the shortest mixing times in the advection-dominated limit. Our robust description of momentum evolution and mixing of passive tracers makes the annular magneto-Stokes system fit for use as an MHD reference flow.

58 GEOSCIENCES↗
DOE OSTI2024

Onset of kinetic effects on Rayleigh–Taylor instability: Advective–diffusive asymmetry

In nature and engineering applications, the Rayleigh–Taylor instability (RTI) occurs over a wide range of Atwood, Reynolds, Mach, and Knudsen numbers. At low Atwood, Mach, and Knudsen numbers, the classic advective instability causes quasi-symmetric bubble and spike growth on the two sides of the interface. However, recent findings suggest that at high degrees of rarefaction, advective effects are suppressed and molecular diffusion leads to planar growth of the density fronts on either side of the interface. This study aims to investigate the flow physics of the transition from advective to diffusive behavior, focusing on the onset of the kinetic effects. Using the gas kinetic methodology, RTI is simulated over a range of Knudsen and Mach numbers in the transition regime. The simulation results reveal the various stages of transformation from advective instability to diffusive transport. For the first time, the study demonstrates the existence of a Knudsen–Mach parameter regime where the bubble side exhibits advective instability, while the other side shows a planar density front due to molecular diffusion, rather than the canonical advective spike shape. The dominance of different mechanisms on the two sides of the interface leads to the advective–diffusive asymmetry. In conclusion, the findings of this study can lead to a more comprehensive understanding of RTI over a wide range of Mach and Knudsen numbers.

42 ENGINEERING↗
DOE OSTI2024

Circular Economy for Photovoltaics in Service of Energy Transition

The challenge of energy transition is immediate and immense; current projections target 75 TW of photovoltaics (PV) capacity by 2050. While any transition to renewable energy technology is preferable to the current fossil-based system, it is ideal to improve the sustainability of PV to minimize negative environmental and social impacts. Circular economy (CE) has been proposed as a method to improve the sustainability of PV, especially for emerging materials like perovskites. CE is a set of actions, principles, and systems which aim to design out waste and keep products and materials in use, to reduce environmental impacts and enable sustainable development. At the most basic level, CE is "reduce, reuse, recycle", the R-actions, in ranked order. CE of a PV technology can be metricized in a variety of ways, such as the Material Circularity Indicator (Smith and Jones, Ellen MacArthur Foundation, 2019) or recycling rates. Unfortunately, standard CE metrics have several shortcomings for measuring renewable energy technologies in the context of deployment for energy transition (Figge 2018, Saidani 2019): 1) Only measure mass flows; 2) De-prioritization of the use phase in favor of mass circularity when scoring; and 3) Tight focus on a single product scale The use phase and energy flows of PV are key to energy transition, and therefore need to be quantified. Additionally, correlating product-scale to system-scale is necessary for quantifying the environmental impacts of energy transition. Life Cycle Assessment (LCA) can address some of these concerns, but also focuses on a single product scale and has trouble capturing the dynamics of system-scale energy transition, such as the interaction of module lifetime with manufacturing demands for energy transition deployment schedules. Therefore, we developed an open-source Python-based system dynamics model to quantify the mass, energy and carbon impacts of CE R-actions for PV technologies in the energy transition; PV in the CE (PV ICE) (Ovaitt & Mirletz 2021). The tool captures supply chains from material extraction through end of life, incorporating 5 circular end of life pathways. PV ICE takes in any evolving bill of materials, module properties and deployment schedule to support researchers and decision makers with data-backed insights. In this work, we quantify and compare proposed CE sustainable PV module designs and lifecycle management strategies, spanning currently commercialized technologies, government and industry technology targets, and several low Technology Readiness Level (TRL) emerging PV technologies, including perovskites. Our analyses capture the projected evolutions of lifetime, efficiency and material circularity of these PV technologies, as well as their material supply chains. Our analyses emphasize the importance of examining a suite of metrics to identify priorities and tradeoffs, and inform design or lifecycle management decisions holistically. Previous analyses have demonstrated the central importance of PV module lifetime to support energy transition while minimizing impacts. High levels of material circularity (>90%) enable minimizing lifecycle wastes, can reduce virgin material demands if paired with improving efficiency, but demonstrate tradeoffs in energy return on investment. In the fervor of new material and technology development, it is important to remember that CE is not the end goal; decarbonization and energy transition are the end goal. CE should be used in service to improve the sustainability of PV, and R-actions evaluated for their usefulness and efficacy to this end.

carbon↗
DOE OSTI2026

Node Distortions as a Means of Defect Engineering in Zr-Based MOFs

Defect engineering in Zr-based metal–organic frameworks (Zr-MOFs) has focused primarily on missing-linker defects. However, recent studies suggest that node dehydroxylation–which creates distortions and coordinatively unsaturated Zr sites (Zr cus )–may have a more significant impact on properties. The present work uses pair distribution function (PDF) and thermogravimetric analysis coupled with systematic defect manipulation to study the effect of node dehydroxylation and missing-linker defects in UiO-66. By employing rapid heat treatment (RHT) under humid flow, we tracked the transition from high-symmetry [Zr 6 O 4 (OH) 4 ] 12+ to distorted [Zr 6 O 6 ] 12+ nodes. This structural evolution significantly improves As(V) uptake, whereas increasing the number of missing linkers–via chemical treatment or RHT of mixed-ligand frameworks–fails to enhance performance. Crucially, our detection of distorted nodes in as-synthesized UiO-66 also raises the possibility that these defects were silently present in many earlier studies that span various applications, where their role in governing performance may have been inadvertently overlooked. The present study challenges the prevailing “missing-linker” paradigm and establishes cluster dehydroxylation as a defect-engineering strategy to enhance Lewis-acidic performance in Zr-MOFs.

Adsorption↗
DOE OSTI2025

Driven probe particle dynamics in a bubble and pattern forming system

We numerically examine the dynamics of a probe particle driven at a constant force through an assembly of particles with competing long-range repulsion and short-range attraction that forms a bubble or stripe state. In the bubble regime, we identify several distinct types of motion, including an elastic or pinned regime where the probe particle remains inside a bubble and drags all other bubbles with it. There is also a plastic bubble phase where the bubble in which the probe particle is trapped is able to move past the adjacent bubbles. At larger drives, there is a breakthrough regime where the probe particle jumps from bubble to bubble and, in some cases, can induce correlated rotations or plastic rearrangements of the particles within the bubbles. At the highest drives, the probe particle moves sufficiently rapidly that the background particles undergo only small distortions. The distinctive dynamic flow states and the transitions between them are accompanied by signatures in the effective drag on the driven particle, jumps in the velocity–force curves, and changes in the time-dependent velocity fluctuations. We map the dynamic phase diagram for this system for varied interaction lengths, bubble sizes, and densities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Microturbulence Suppression by Alfvén Eigenmodes in the DIII-D Tokamak

Mitigation and suppression of low-𝑘 turbulence are observed during the nonlinear evolution of toroidicity-induced Alfvén eigenmodes (TAEs) in DIII-D experiments. Turbulence mitigation begins when the dominant TAE starts to depart from the typical shear Alfvén wave polarization. TAE activity then evolves into a new state, characterized by more discrete coherent modes, increased total amplitude, and more localized radial structures. During this transition, a narrow shear flow layer forms, driven by an enhanced Reynolds stress force, with a shearing rate that exceeds the local turbulence decorrelation rate, leading to a full turbulence suppression. Furthermore, these observations indicate the imbalance between Reynolds and Maxwell stress forces during the nonlinear evolution of the TAE and their important roles in shear flow generation and turbulence reduction.

Alfvén waves↗
DOE OSTI2025

Investigation of magnetic fluctuations in L-H and H-L transition dynamics on DIII-D

The dynamics of the L-H transition is not fully understood, with many parameters changing the threshold power to enter H-mode and the self-regulation between zonal flows and turbulence in the plasma edge. This paper is primarily a presentation of experimental results for DIII-D L-H and H-L transitions and speculation on the observations made. Power threshold analysis and measurements of pedestal temperatures for these transitions are presented. A comparison is made between an L-H transition and H-L transition of comparable Psep exhibiting oscillatory behaviour, showing symmetry between forward and backward transition dynamics. This paper shows the first observations of magnetic fluctuations during L-H and H-L transitions on DIII-D, and shows that L-H and H-L transitions have similar magnetic fluctuation dynamics. Information geometry analysis has been performed on measurements of plasma density fluctuations, perpendicular plasma velocity fluctuations, and magnetic field fluctuations to investigate the self-regulation and evolution of these variables during the transitions. Perpendicular flow evolution is shown to dominate the transition dynamics in both directions, but self-regulation behaviour is observed between all three variables. A strong correlation between magnetic fluctuation information rate and density fluctuation information rate for these two shots shows the strong influence of magnetic behaviour on both the L-H and H-L transition, and that these transition dynamics necessarily include electromagnetic effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A finite viscoelastic constitutive model for low to high strain rate response of elastomers with application of strain rate-induced glass transition

Amorphous elastomers exhibit significant rate-stiffening and unique viscous flow characteristics across a wide range of strain rates, often undergoing glass transition above a strain rate threshold. We have developed a thermodynamically-consistent and micromechanically-inspired constitutive model for soft elastomeric materials to capture the rate-dependent stress-strain behavior and hysteresis when subjected to low to high strain rates. Here, our proposed constitutive model encapsulates the viscous flow of materials through molecular motion at low strain rates and local rearrangement and alignment of the molecules trying to overcome the intermolecular resistance at high strain rates, essentially covering the glass transition. We applied our constitutive model to uniaxial compression experiments performed at low and high strain rates for polyborosiloxane (PBS) to identify the material parameters, and subsequently, performed numerical simulations of single and multi-cycle compression, stress relaxation, and small amplitude oscillatory tension-compression. Our analyses indicate that the model predicts higher total energy dissipation with increasing strain rate; however, dissipation associated with molecular relaxation decreases (forming a cusp) because, beyond a crossover strain rate, intermolecular rearrangement and alignment become dominant, which is consistent with the onset of the glass transition. For cyclic loading-unloading, we observed that dissipation over a cycle remains constant at low strain rates but decreases non-monotonically at high strain rates before becoming constant, with the peak stress over the cycle becoming higher, which can be interpreted as more loading being carried elastically by the polymer network as the intermolecular rearrangement process occurs. Additionally, our model was able to predict the qualitative nature of the storage modulus and loss modulus in the limit of small strain over a wide range of frequency sweeps.

36 MATERIALS SCIENCE↗
DOE OSTI2024

How Fisheries Biologists Can Facilitate the Clean Energy Transition

Abstract Fisheries and aquatic biologists play a critical role in creating environmentally protective hydropower flow requirements that govern flow timing, frequency, magnitude, and rate of change. Hydropower's role in the U.S. electrical grid is expected to evolve in response to increased wind and solar generation as hydropower will be called upon to quickly ramp up and down in response to changes in wind and solar generation. For this reason, hydropower is expected to have increased value as fossil generation is phased out, even as rapid flow fluctuations linked with hydropower flexibility may strand fish, alter habitat, and create unsafe recreational conditions. We face a new challenge in facilitating the renewable energy transition—designing environmental flow requirements that protect against the impacts of flow fluctuations while allowing adequate hydropower flexibility to support a stable grid. In this paper, we discuss hydropower environmental flow requirements, operational flexibility, and electrical grid stability, their potential interactions, and opportunities to align environmental and power system needs to support healthy ecosystems, multiple water uses, and decarbonization of the electric grid.

13 HYDRO ENERGY↗
DOE OSTI2025

Egg yolk as a model for gelation: From rheometry to flow physics

Egg yolks are an excellent model for studying sol-gel transitions, particularly the power law viscoelasticity that defines the critical point of gelation. However, prior studies lack comprehensive datasets and fail to visualize flow behavior linked to temperature and time-dependent linear and nonlinear rheology. Here, we present a detailed dataset characterizing egg yolk viscoelasticity across temperature, time, and forcing amplitude using oscillatory shear, step strain, step stress, and constant high strain rate. Novel protorheology visualizations link rheological properties with observable flow behavior. Our findings highlight the nuanced determination of the critical gel point, emphasizing observation timescale dependencies. We compare methods to identify critical temperatures for gelation, including power law viscoelasticity, moduli crossover, diverging zero-shear viscosity, and emerging equilibrium elastic modulus, while visualizing flow consequences near these transitions. Egg yolk is an accessible, realistic, and nontoxic material relevant to the physicist and the chef alike, making it ideal for understanding the rheology of critical gels. By integrating protorheology photos and videos with rigorous rheometric data, we deepen the understanding of critical gels, with broader impacts for studying other materials with sol-gel transitions.

Marsh, Maxwell C. [Department of Mechanical Scienc↗
DOE OSTI2025

Characterization of the fractal dimension of helium plumes in laminar to turbulent transition

Abstract Schlieren imaging in conjunction with a high-speed camera was used to observe the behavior of metered helium plumes as they transition from laminar to turbulent flow in an air environment. The plumes were visualized at twelve jet Reynolds numbers ranging from 200 to 2980. The fractal dimension of the flows was obtained by applying a box counting algorithm to the recorded schlieren images. The results were analyzed to determine the correlation between the Reynolds number of the flow and the fractal dimension of the observed turbulence. A trend of increasing fractal dimension with increasing Reynolds number was observed for several different types of schlieren cutoffs including horizontal cutoff, vertical cutoff, circular cutoff, focused shadowgraphy and de-focused shadowgraphy. The vertical cutoff and focused shadowgraphy imaging methods showed the most consistent results for the fractal dimension characterization during the laminar to turbulent transition. For transitional plumes, it was observed that fractal dimension increased with distance from the jet outlet.

42 ENGINEERING↗
DOE OSTI2024

Interactions of laser-driven tin ejecta microjets over phase transition boundaries

Ejecta microjets offer an experimental methodology to study high-speed particle laden-flow interactions, as microjets consist of millions of particulates traveling at velocities of several kilometers per second and are easily generated by most common shock drives. Previous experiments on the OMEGA Extended Performance laser found that collisions between two counter-propagating laser-driven tin ejecta microjets varied as a function of drive pressure; jets generated near shock pressures of 10 GPa passed through each other without interacting, whereas jets generated at shock pressures of over 100 GPa interacted strongly, forming a cloud around the center interaction point. In this paper, we present a more systematic scan of tin ejecta microjet collisions over intermediate pressure regimes to identify how and at what shock pressure interaction behavior onsets. Radiographs of interacting microjets at five different laser drive energies qualitatively demonstrate that interaction behavior onsets slowly as a function of laser drive energy. Quantitative mass and density metrics from each radiograph provide trends on jet characteristics and collisional mass dispersion. It is observed that jetting mass, jet densities, and mass dispersion increase with increasing drive pressures and that the increased jet density at the higher drive energies may account for the increased mass dispersion. This work provides an important step in the understanding of tin ejecta microjet collisions and paves the way for future studies on the physics dominating high-speed particle-laden flow interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Resolving femtosecond photoinduced energy flow: capture of nonadiabatic reaction pathway topography and wavepacket dynamics from photoexcitation through the conical intersection seam (Final Technical Report)

The dynamics that take place within just tens to hundreds of femtoseconds following the absorption of light by a molecule can play a critical role in how the absorbed energy is directed, allowing it to be used for a specific function or dissipated harmlessly. The form of chemical change that occurs rapidly in these molecules is called a “nonadiabatic electronic transition.” Such transitions are known to mediate energy flow in natural biological systems such as the ultraviolet photoprotection mechanism of DNA and the first step of the human vision response. Understanding how these mechanisms work precisely may help scientists achieve controlled manipulation of solar energy or optical control of a wide range of energy management functions in artificial systems. Experimental methods, however, have not yet allowed a precisely resolved and complete measurement of nonadiabatic electronic transitions. This constitutes a major obstacle to progress in the field. For progress to occur that would inform a wide body of research aiming to efficiently harness the energy of light for practical purposes, it is especially important to benchmark computational models of the molecules undergoing these rapid changes with experimental measurements, in order to learn which models are accurate. With Dept. of Energy funding, we have made strong progress towards establishing a new optical method for experimentally detecting the full nonadiabatic electronic transition. This requires having coordinated pulses of light covering the visible through the mid-infrared range of the electromagnetic spectrum that last only ten femtoseconds. We have developed a new, relatively simple approach for generating such pulses of laser light, and have incorporated them into a time-resolved spectrometer for measuring rapid changes in molecules. These tools can provide the greater precision and new types of data that are needed to benchmark computational models of molecular change and thus to make progress in the field. Our tools were tested on graphene, an excellent solid-state sample for verifying the capabilities and limitations of our instrumentation. The investment made in these tools by the Dept. of Energy Office of Science will allow new fundamental scientific understanding of energy dynamics in molecules in future studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗