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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Percheron Power Archimedes Screw Turbine Analysis (Abstract)

The development of the Percheron Power (Percheron) composite Archimedes screw turbine (AST) is based upon employing newly developed theoretical mathematical models for optimizing the water volume carried through the AST for a given diameter, combined with minimizing efficiency losses due to bypass flow and friction. The key feasibility issues associated with producing the composite blades will be to understand the strength, fatigue, and wear performance of the AST blades and associated components, and how these factors change along the length of the turbine. To get to this understanding of material property requirements, Percheron needs free-surface computational fluid dynamics (CFD) models of the AST designs and to perform interactive modeling between the turbine blade optimization and component design based on finite element method stress analysis (FEA). The workscope and analyses requested by Percheron in the Small Business Voucher (SBV) program are well aligned with PNNL capability and recent work experience in performing CFD and FEA analysis for hydropower and marine energy turbines. The CFD analysis will provide estimates of power, efficiency, and surface forces on the blades. The forces on the blade will be transferred to the FEA analysis that will be used to evaluate the material stresses. The CFD and FEA analyses will be repeated for different AST designs provided to PNNL by Percheron. The work conducted in this SBV project will complement the existing Percheron FOA project by providing better defined parameters for design and material selection for the turbine unit prior to manufacture of initial test units.

42 ENGINEERING↗
DOE OSTI2020

Hydrokinetic Power Conversion Using Vortex-Induced Oscillation with Cubic Restoring Force

A cubic-spring restoring function with high-deformation stiffening is introduced to passively improve the harnessed marine hydrokinetic power by using flow-induced oscillations/vibrations (FIO/V) of a cylinder. In these FIO/V experiments, a smooth, rigid, single-cylinder on elastic end-supports is tested at Reynolds numbers ranging from 24,000 < Re < 120,000. The parameters of the tested current energy converter (CEC) are cubic stiffness and linear damping. Using the second generation of digital virtual spring-damping (Vck) controller developed by the Marine Renewable Energy Laboratory (MRELab), the cubic modeling of the oscillator stiffness is tested. Experimental results show the influence of the parameter variation on the amplitude, frequency, energy conversion, energy efficiency, and power of the converter. All experiments are conducted in the low turbulence-free surface water (LTFSW) channel of the MRELab of the University of Michigan. The main conclusions are: (1) The nonlinearity in the cubic oscillator is an effective way to extend the vortex-induced vibration (VIV) upper branch, which results in higher harnessing power and efficiency compared to the linear stiffness cylinder converter. (2) Compared to the linear converter, the overall power increase is substantial. The nonlinear power optimum, occurring at the end of the VIV upper branch, is 63% higher than its linear counterpart. (3) The cubic stiffness converter with low harnessing damping achieves consistently good performance in all the VIV regions because of the hardening restoring force, especially at higher flow velocity.

13 HYDRO ENERGY↗
DOE OSTI2022

Coupling Two Laser-Cooled Ions via a Room-Temperature Conductor

We demonstrate coupling between the motions of two independently trapped ions with a separation distance of 620 μm. Here, the ion-ion interaction is enhanced via a room-temperature electrically floating metallic wire which connects two surface traps. Tuning the motion of both ions into resonance, we show flow of energy with a coupling rate of 11 Hz. Quantum-coherent coupling is hindered by strong surface electric-field noise in our device. Our ion-wire-ion system demonstrates that room-temperature conductors can be used to mediate and tune interactions between independently trapped charges over distances beyond those achievable with free-space dipole-dipole coupling. This technology may be used to sympathetically cool or entangle remotely trapped charges and enable coupling between disparate physical systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Identification of Brillouin Zones by In-Plane Lasing from Light-Cone Surface Lattice Resonances

Periodic optical structures can control the flow of light, which has facilitated applications in optical fibers, laser cavities, and biochemical sensors. The first Brillouin zone (BZ) in reciprocal space can describe all the electromagnetic fields localized inside a photonic lattice. However, photonic lattices also exhibit radiative losses from light scattering, but the radiated fields are not captured by the first BZ. In a two-dimensional lattice, the in-plane wavevectors of photonic modes are limited by the so-called light cone, which depicts free-photon dispersion relations in the surrounding medium. Here we show that projection of the light cone on extended BZs provides a geometric method to observe radiated electromagnetic fields of photonic lattice modes. We developed a coupled dipole radiation theory to reveal how lattice geometry and dipole orientation affect the angular distributions of the radiated fields. Using dye molecules as local dipole emitters to excite and probe the optical modes, we experimentally identified high-order BZ edges through directional, in-plane lasing emission.

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

Phases of 2D massless QCD with qubit regularization

We investigate the possibility of reproducing the continuum physics of 2D S U ( N ) gauge theory coupled to a single flavor of massless Dirac fermion using qubit regularization. The continuum theory is described by N free fermions in the ultraviolet (UV) and a coset Wess-Zumino-Witten (WZW) model in the infrared (IR). In this work, we first explore how well these features can be reproduced using the Kogut-Susskind (KS) Hamiltonian with a finite-dimensional link Hilbert space and a generalized Hubbard coupling. We do this by analyzing the renormalization group (RG) flow diagram of the continuum theory and identifying important phases of the theory. Using strong coupling expansions, we show that our lattice model exhibits a gapped dimer phase and a spin-chain phase. Furthermore, for N = 2 , using tensor network methods, we show that there is a second-order phase transition between these two phases, which we identify as the critical surface of the continuum theory that connects the IR and UV fixed points. In the IR, we identify the critical theory at the transition as the expected S U ( 2 ) 1 WZW model. Lastly, we argue that modifications of our model may allow the study of the UV physics of free fermions. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Bounds on the Rate-Dependent Plastic Flow of Tantalum up to 75 GPa

In this study we report on the continued development of thermodynamics-based analysis of shock waves propagation with the objective of extracting information related to materials strength at high strain rates and pressures. Building on previous results reported for peak stresses of 10 GPa and 25 GPa, we present a series of three-step gas-gun shock experiments designed to explore the pressure and strain rate dependence of plastic flow in polycrystalline tantalum. These experiments at nominal peak stresses of 50 GPa and 75 GPa show the irreversible deformation before pullback to be almost entirely confined to the shock loading, with negligible plastic relaxation on the post-shock plateau. We also add a reverse-ballistics shot at 25 GPa, which was designed to reveal the pullback response with negligible interference from free-surface effects. General thermodynamic considerations allow us to place bounds on the plastic behavior even for parts of the curve that change far too rapidly for the velocimetric time resolution of (conservatively) ~ 5 ns. To analyze the data, we found it necessary to substantially improve the interpolation/extrapolation scheme in order to improve its robustness, flexibility and range of applicability. We describe the new scheme based on splines, as well as an extension of free-surface corrections to the post-shock rarefaction waves. Reanalysis with the new scheme produces results essentially within the error bars previously reported, showing that the known systematic errors associated with free-surface effects are relatively inconsequential for determining thermodynamic paths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Effect of die design on microstructure and mechanical joint strength in friction self-piercing riveted AA7055-T76 and AA7055-T76

In the present study, a unique friction self-piercing riveting (F-SPR) was applied to join high-strength, low-ductility aluminum alloy (AA) 7055-T76 and AA7055-T76 to mitigate a cracking issue. Also, the effect of die design on both joint formation and the mechanical joint performance were investigated. A crack-free joint was achieved when joining AA7055-T76 and AA7055-T76 by F-SPR. As the bottom diameter of the die increased, the mechanical interlocking distance initially increased then became almost saturated. At the same time, the solid-state bonding gradually disappeared, and the lap-shear fracture changed from bottom aluminum fracture to rivet pull-out with partial bottom aluminum fracture. The average maximum lap-shear joint strength of 11.57 kN and cross tension of 5.65 kN were achieved from the D2 die design owing to the combined contributions from high mechanical interlocking distance and good solid-state bonding at the joint interface. Ultrafine grain refinement was observed at the region next to the rivet shank outer surface and along the materials flow line between the top and bottom aluminum sheet in the rivet cavity. Further, because of the same joint-process parameters, the hardness profile at the joints made by different dies did not show obvious differences. As the distance from the base metal to the rivet outer surface decreased, frictional heat caused the hardness to initially decrease from 190 to 150 HV in the heat-affected zone. Hardness increased up to 175 HV in the thermomechanical affected zone (TMAZ-I) owing to large plastic deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Reactive Transport Modeling with Physics-Informed Machine Learning for Critical Minerals Applications

This study presents a physics-informed neural network (PINN) framework for reactive transport modeling for simulating fast bimolecular reactions in porous media. Accurate characterization of cAhemical interactions and product formation in surface and subsurface environments is essential for advancing critical mineral extraction and related geoscience applications. The proposed methodology sequentially addresses the flow and diffusion–reaction subproblems. The flow field is computed using a mixed formulation, while the diffusion–reaction system is modeled via two uncoupled tensorial diffusion equations reformulated in terms of chemical invariants. PINNs are employed to solve the governing equations, enabling data-efficient, mesh-free prediction of chemical concentration fields. The framework is validated through a series of benchmark problems involving flow in heterogeneous porous media. Initial verification is conducted using patch tests for the flow field, followed by validation of the transport problem with emphasis on preserving non-negativity of concentrations. The complete fast bimolecular reaction scenario is then solved, yielding spatial distributions of reactants and product species. Results demonstrate that the PINNs-based approach effectively captures sharp, mixing-limited reaction fronts and dispersive mixing behavior, offering reliable predictions of reactive plume evolution. These capabilities are crucial for evaluating long-term subsurface behavior in applications such as fluid storage, energy extraction, and efficient extraction of critical minerals.

42 ENGINEERING↗
DOE OSTI2025

dynamics of organic-mineral interactions at the metal oxide-solution interface as studied via binding energetics (Final report)

This project focused on addressing longstanding fundamental and experimental uncertainties on how dissolved organic substances (DOS) interact with metal oxide surface under environmentally relevant conditions. By leveraging a custom-built real-time, in-tandem flow adsorption microcalorimetry-UV-Vis/fluorescence spectroscopy platform, we characterized the binding energetics, kinetics and mechanistic pathways driving DOS-metal oxide interactions at temporal resolution on the order of 1-5 seconds. We studied a diverse suite of model organic compounds/substances – including monocarboxylates (e.g. acetate and benzoate), di-carboxylates (oxalate and succinate), amino acids, amino-based nanparticles and natural organic matter – interacting at the mineral-water interface of structurally- and/or chemically distinct metal oxides (including SiO2, boehmite, ferrihydrite, and γ-Al2O3). Our results indicated that DOS-metal oxide interactions are governed by multi-step reaction pathways, often switching between distinct, resolvable enthalpy- and entropy-driven non-electrostatic or electrostatic configurations. To quantify these interactions, we developed and implemented an analytical workflow that integrates peak deconvolution and Monte-Carlo based error propagation to determine site-specific thermodynamic and kinetic parameters for individual binding/debinding events. In addition to resolving apparent first-order rate constants of each event, we were able to quantify associated apparent equilibrium constants as well as free energy, enthalpy and entropy contribution to the activation and subsequent progression of the binding/debinding process across compounds, compound class and metal oxide surfaces. The kinetic-thermodynamic data produced in this study captured how the interplay between oxide surface reactivity and DOS molecular structure jointly drives binding-debinding dynamics. Notably, that at pH below PZC of the oxide surface, neutral species were heavily involved in monocarboxylate binding, while anionic species drove dicarboxylate binding. Also, that among amino acids 1) positional isomers show distinctive binding characteristics to each other while enantiomers show no significant differences in binding characteristics, 2) molecules that bind via outer-sphere complexation show a larger entropic shift between binding and debinding with no impact on oxide surface while 3) inner-sphere interactions increased anion exchange capacity of the oxide surface. The new insights and data from this work has great potential for improving predictive modeling of carbon dynamics and specifically organic-mineral interactions in environmental and industrial systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

On heat conduction in an irregular magnetic field. Part 1

Anisotropic heat conduction in a plasma embedded in a magnetic field with irregular, possibly chaotic, field lines is discussed. If the collisional mean free path exceeds the electron gyroradius, the heat conductivity is much larger along the field lines than across them, and this enhances the transport across a domain where good flux surfaces do not exist. Recognising that anisotropic heat conduction may be cast in a variational form, and by constructing increasingly sophisticated trial functions that are based on invariant and almost-invariant structures under the magnetic field-line flow, bounds are derived on this enhancement and on the temperature variation along the magnetic field. In this way, remarkably accurate approximations for the temperature can be rapidly constructed without solving the diffusion equation, even in the small perpendicular-diffusion limit when the solution for the temperature is dominated by the fractal structure the magnetic field lines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators

Alquimia v1.0 is a generic interface to geochemical solvers that facilitates development of multiphysics simulators by enabling code coupling, prototyping and benchmarking. The interface enforces the function arguments and their types for setting up, solving, serving up output data and carrying out other common auxiliary tasks while providing a set of structures for data transfer between the multiphysics code driving the simulation and the geochemical solver. Alquimia relies on a single-cell approach that permits operator splitting coupling and parallel computation. We describe the implementation in Alquimia of two widely used open-source codes that perform geochemical calculations: PFLOTRAN and CrunchFlow. We then exemplify its use for the implementation and simulation of reactive transport in porous media by two open-source flow and transport simulators: Amanzi and ParFlow. We also demonstrate its use for the simulation of coupled processes in novel multiphysics applications including the effect of multiphase flow on reaction rates at the pore scale with OpenFOAM, the role of complex biogeochemical processes in land surface models such as the E3SM Land Model (ELM) and the impact of surface–subsurface hydrological interactions on hydrogeochemical export from watersheds with the Advanced Terrestrial Simulator (ATS). These applications make it apparent that the availability of a well-defined yet flexible interface has the potential to improve the software development workflow, freeing up resources to focus on advances in process models and mechanistic understanding of coupled problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Kinetics Modeling and Reactor Design Study of Glucose-to-Terpenes Cell-Free Conversion

Cell-free systems offer many advantages over traditional biological conversion by eliminating biological growth constraints. It also offers easy manipulation and finetuning of the reaction conditions for each individual enzyme. The conversion of cellulosic glucose to Limonene, a terpene, is a promising pathway for producing fuels and chemicals. Recent advances in developing cell-free systems focuses on bench scale optimization of terpene yield and to demonstrate its feasibility towards commercialization [1,2]. There is significant knowledge gap regarding reaction kinetics of these cell-free systems to further study how it will perform at larger scale. We present here, our studies on reaction kinetics and reactor design implications of cell-free glucose to Limonene conversion to facilitate the further development and commercialization of this process. We developed a novel kinetic model based on the metabolic-network structure of the cell-free system with multi-substrate reversible Michaelis-Menten rate law. To estimate kinetic parameters for this system of rate equations, we employed Bayesian optimization to perform global search with the assistance of gaussian processes to balance exploration and exploitation. The model parameters estimated showed good results compared with experimental data. The estimated parameters were used to perform sensitivity analysis. We found that Hexokinase is one of the most critical enzymes that affect the conversion of the glucose. We also observed that abundance of co-factors is also critical to the conversion of glucose to limonene. We investigated packed bed reactors with enzymes immobilized on the surface of particles to convert glucose stream into Limonene for larger scale production. The reactor design such as particle size, enzyme loading, and flow rate are found to be critical for improving yields. [1] Dudley, Q.M., Nash, C.J. and Jewett, M.C., 2019. Synthetic Biology, 4(1), p.ysz003. [2] Korman, T.P., Opgenorth, P.H. and Bowie, J.U., 2017. Nature communications, 8(1), p.15526.

09 BIOMASS FUELS↗
DOE OSTI2020

Transport characterization and pinning analysis of BaFe 1.9 Ni 0.1 As 2.05 thin films

In this paper, we report on the vortex-glass transition and superconducting performance of BaFe 1.9 Ni 0.1 As 2.05 thin films with T c = 17.8 K on CaF 2 (00 l ) single crystals by pulsed laser deposition. Atomic force microscopy characterization indicates the volumes of droplets appearing on the film surface increase with thickness and Magneto-optical imaging proves slight inhomogeneities in the current flow within the ab -plane of thin film. The thin films show a transport current density J c of ~1.14 MA cm –2 in self-field, and 0.34 and 0.28 MA cm –2 for H // c and H // ab up to 9 T at 4.2 K. Pinning mechanism associated with the fluctuations in the mean free path of the charge carries is found to be dominant in the thin films. The vortex-glass (VG) to vortex-liquid phase transition is identified in terms of the plots of the logarithmic derivative of the resistivity curves under different fields, allowing us to deduce the values of the VG transition temperature T g , and the critical exponent s . The ρ – T curves are well scaled by VG theory. A phase diagram combining the VG transition temperature, irreversibility field and upper critical field is constructed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Impact of Seasonal Snow-Cover Change on the Observed and Simulated State of the Atmospheric Boundary Layer in a High-Altitude Mountain Valley

The structure and evolution of the atmospheric boundary layer (ABL) under clear-sky fair weather conditions over mountainous terrain is dominated by the diurnal cycle of the surface energy balance and thus strongly depends on surface snow cover. We use data from three passive ground-based infrared spectrometers deployed in the East River Valley in Colorado's Rocky Mountains to investigate the response of the thermal ABL structure to changes in surface energy balance during the seasonal transition from low to high snow cover. Temperature profiles were retrieved from the infrared radiances using the optimal estimation physical retrieval Tropospheric Remotely Observed Profiling via Optimal Estimation. A nocturnal surface inversion formed in the valley during clear-sky days, which was subsequently mixed out during daytime with the development of a convective boundary layer when snow cover was low. Over high snow cover, a very shallow convective boundary layer formed, above which the inversion persisted through the daytime hours. We compare these observations to NOAA's operational High-Resolution-Rapid-Refresh model and find large warm biases on clear-sky days resulting from the model's inability to form strong nocturnal inversions and to maintain the stable stratification in the valley during daytime when there was snow on the ground. We suggest several factors contributing to the large model errors. These are (a) the inability of the model to represent well-developed thermally driven flows likely due to the too coarse horizontal grid spacing (3 km), (b) too much convective mixing during daytime, and (c) too strong vertical coupling between the valley atmosphere and the free troposphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Exact solution of burst pressure for thick-walled pipes using the flow theory of plasticity

This paper develops an exact solution of burst pressure for defect-free, thick-walled pipes using the flow theory of plasticity in terms of the average shear stress yield criterion (or Zhu-Leis yield criterion). The pipe steel is assumed to obey the power-law strain hardening rule, and large plastic deformation is described by the finite strain theory. On this basis, internal pressure is obtained as a power series function of the effective strains on the inside and outside surfaces of the thick-walled pipe with use of the second Bernoulli numbers. At burst failure, the Zhu-Leis flow solution of burst pressure is determined as a power series solution, and the burst effective strains, the burst effective stresses, and the burst pressure are functions of the diameter ratio (D o / D i ), strain hardening exponent (n), and ultimate tensile strength (UTS). Similarly, the Tresca and von Mises flow solutions of burst pressure are also determined as a power series solution in terms of the Tresca and von Mises yield criteria. A general closed-from exact solution of burst pressure is then proposed for the three yield criteria, and the results showed that the proposed exact solution matches well with the power series solution for each yield criterion. Moreover, the von Mises flow solution is an upper bound prediction, the Tresca flow solution is a lower bound prediction, and the Zhu-Leis flow solution is an intermediate prediction that agrees well with the finite element analysis results of burst pressure for thick-walled pipes. Furthermore, two datasets of full-scale burst tests are then utilized to evaluate and validate the proposed flow solutions of burst pressure for both thin and thick-walled pipes.

42 ENGINEERING↗
DOE OSTI2022

Atmospheric pressure plasma functionalization of polystyrene

Atmospheric pressure plasma jets (APPJs) are used to improve the adhesive and hydrophilic properties of commodity hydrocarbon polymers such as polypropylene, polyethylene, and polystyrene (PS). These improvements largely result from adding oxygen functional groups to the surface. PS functionalization is of interest to produce high value biocompatible well-plates and dishes, which require precise control over surface properties. In this paper, we discuss results from a computational investigation of APPJ functionalization of PS surfaces using He/O 2 /H 2 O gas mixtures. A newly developed surface reaction mechanism for functionalization of PS upon exposure to these plasmas is discussed. A global plasma model operated in plug-flow mode was used to predict plasma-produced species fluxes onto the PS surface. A surface site balance model was used to predict oxygen-functionalization of the PS following exposure to the plasma and ambient air. We found that O-occupancy on the surface strongly correlates with the O-atom flux to the PS, with alcohol groups and cross-linked products making the largest contributors to total oxygen fraction. Free radical sites, such as alkoxy and peroxy, are quickly consumed in the post-plasma exposure to air through passivation and cross-linking. O-atom fluences approaching 10 17 cm -2 saturate the O-occupancy on the PS surface, creating functionality that is not particularly sensitive to moderate changes in operating conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Turbulence spreading effects on the ELM size and SOL width

BOUT++ turbulence simulations were performed to investigate the impact of turbulence spreading on the edge localized mode (ELM) size and divertor heat flux width (λ q ) broadening in small ELM regimes. Here, this study is motivated by EAST experiments. BOUT++ linear simulations of a pedestal radial electric field (E r ) scan show that the dominant toroidal number mode (n) shifts from high-n to low-n, with a narrow mode spectrum, and the maximum linear growth rate increases as the pedestal E r well deepens. The nonlinear simulations show that as the net E × B pedestal flow increases, the pressure fluctuation level and its inward penetration beyond the top of the pedestal both increase. This leads to a transition from small ELMs to large ELMs. Both inward and outward turbulence spreading are sensitive to the scrape-off-layer (SOL) plasma profiles. The inward turbulence spreading increases for the steep SOL profiles, leading to increasing pedestal energy loss in the small ELM regime. The SOL width (λ q ) is significantly broadened progressing from the ELM-free to small ELM regime, due to the onset of strong radial turbulent transport. The extent of the SOL width (λ q ) broadening depends strongly on outward turbulence spreading. The fluctuation energy intensity flux Γ ε at the separatrix can be enhanced by increasing either pedestal E r flow shear or local SOL pressure gradient. The λ q is broadened as the fluctuation energy intensity flux Γ ε at the last close flux surface (LCFS) increases. Local SOL E × B flow shear will restrain outward turbulence spreading and the associated heat flux width broadening. Operating in H-mode with small ELMs has the potential to solve two critical problems: reducing the ELM size and broadening the SOL width.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Control of liquid crystals combining surface acoustic waves, nematic flows, and microfluidic confinement

The optical properties of liquid crystals serve as the basis for display, diagnostic, and sensing technologies. Such properties are generally controlled by relying on electric fields. In this work, we investigate the effects of microfluidic flows and acoustic fields on the molecular orientation and the corresponding optical response of nematic liquid crystals. Several previously unknown structures are identified, which are rationalized in terms of a state diagram as a function of the strengths of the flow and the acoustic field. The new structures are interpreted by relying on calculations with a free energy functional expressed in terms of the tensorial order parameter, using continuum theory simulations in the Landau-de Gennes framework. Taken together, the findings presented here offer promise for the development of new systems based on combinations of sound, flow, and confinement.

74 ATOMIC AND MOLECULAR PHYSICS↗