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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9

Rapid charging made practical in graphite-based lithium batteries: surface-acoustic wave turbulent electrolyte mixing to overcome diffusion limited charging rates [Final Report]

One of the key limits in rapidly recharging a lithium-ion battery is the depletion of lithium ions within the electrolyte adjacent the anode during charging and long diffusion time to overcome this depletion. It also causes dendrite formation, inefficient use of the lithium, and battery degradation over many charge-discharge cycles. Because the liquid electrolyte remains quiescent and unmixed, this depletion layer’s depth rapidly grows to match the anode-cathode separation distance at even modest charge rates. The solution proposed by PI Prof. James Friend and Co-PI Prof. Ping Liu, both from the University of California, San Diego, is to mix the electrolyte and minimize the Li+ ion concentration gradient during charging. Even in the presence of the separator, the charging rate could then be significantly increased. They propose to accomplish this using surface acoustic wave (SAW)-driven acoustic streaming, a technique employing 10-mW fingernail-sized solid-state devices from the telecommunications industry to drive turbulent mixing to submicron length scales in a manner completely compatible with the typical 20700 and 18650 cells used in electric vehicles. 0.1. Turbulent acoustic streaming mixes the electrolyte during charging—even with separator Our proposed 100-MHz SAW device used to recirculate the electrolyte is compatible with lithium- ion battery electrochemistry, as it is made in our lab of single-crystal lithium niobate. Their solution is straightforward to drive from a DC power source alongside the signal provided during battery charging. The device is only needed during charging and does not consume power dur- ing battery discharge. Uniquely, SAW generates extreme accelerations of over 1 billion meters per second squared in the fluid, driving turbulent mixing from centimeter to submicron length scales, even through the porous separator materials that tend to be used in batteries, all while avoiding interfering with the anode’s solid electrolyte interphase layer that forms during use. By employing novel fluid mechanics, the investigators are proposing a new direction for battery research away from direct use of materials science and electrochemistry. The chemistry agnostic solution may be employed in any battery chemistry that makes use of liquid electrolytes, providing a broader transformative benefit to the battery research community. They are to produce a series of prismatic and 20700-cell sized 2 Ah batteries capable of being charged and discharged at least 500 times without more than 20% loss in battery capacity, and to provide analysis tools useful to the battery research and development community for adopting this approach for other battery chemistries and configurations.

25 ENERGY STORAGE↗

On Two-Phase Pressure and Temperature Equilibration with Mie-Grüneisen Equations of State

In the course of reactive flow modeling, the phases of high explosive (HE) reactants and products introduce additional degrees of freedom to the underlying hydrodynamic equations of compressible reactive fluid mechanics. Hydrodynamic simulations track the bulk (mixture) conservation properties of mass, momentum and energy. When multiple phases are introduced, one must decide on appropriate closure rules to determine the relative phase volumes and energy distribution between the phases. One typical closure is to assume that the phases are in pressure and temperature equilibrium. Here, the requisite equations of p-T equilibration are explored for Mie-Grüneisen Equations of State (EOS). Examples with Davis reactants and Davis products EOSs will be given. The Davis forms are used in both the WSD and AWSD reactive flow models.

42 ENGINEERING↗

High-Speed Diagnostic and Simulation Capabilities for Reacting Hypersonic Reentry Flows (LDRD Final Report)

High-enthalpy hypersonic flight represents an application space of significant concern within the current national-security landscape. The hypersonic environment is characterized by high-speed compressible fluid mechanics and complex reacting flow physics, which may present both thermal and chemical nonequilibrium effects. We report on the results of a three-year LDRD effort, funded by the Engineering Sciences Research Foundation (ESRF) investment area, which has been focused on the development and deployment of new high-speed thermochemical diagnostics capabilities for measurements in the high-enthalpy hypersonic environment posed by Sandia's free-piston shock tunnel. The project has additionally sponsored model development efforts, which have added thermal nonequilibrium modeling capabilities to Sandia codes for subsequent design of many of our shock-tunnel experiments. We have cultivated high-speed, chemically specific, laser-diagnostic approaches that are uniquely co-located with Sandia's high-enthalpy hypersonic test facilities. These tools include picosecond and nanosecond coherent anti-Stokes Raman scattering at 100-kHz rates for time-resolved thermometry, including thermal nonequilibrium conditions, and 100-kHz planar laser-induced fluorescence of nitric oxide for chemically specific imaging and velocimetry. Key results from this LDRD project have been documented in a number of journal submissions and conference proceedings, which are cited here. The body of this report is, therefore, concise and summarizes the key results of the project. The reader is directed toward these reference materials and appendices for more detailed discussions of the project results and findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling of Chemical Slurry Rheology in DWPF Sludge Batch (SB) 10 Simulants

The Defense Waste Processing Facility (DWPF) treats high-activity radionuclides from sludge through a process called vitrification. This process converts radioactive liquid waste currently stored in tank farms into a solid glass form that is suitable for long-term storage and disposal. Due to the complexities involved in vitrifying this waste within each operation of the Chemical Processing Cell (CPC), waste rheology is studied to characterize the fluid-mechanical properties as it passes through the CPC and into the Melter. To better understand the waste and validate flow behavior, slurry rheology of simulants that represents the waste was studied at various acid stoichiometry percentages and solids concentrations to determine the simulant’s yield stress and viscosity. This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Office of Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the spring of 2022, a DOE Fellow intern, Brendon Cintas, spent 10 weeks doing a summer internship at Savannah River National Laboratory (SRS) under the supervision and guidance of Dan Lambert, Chemical Flowsheet Development. The intern’s project was initiated on June 6, 2022, and continued through August 11, 2022 with the objective of assisting scientists at SRNL’s Rheology and Grout Laboratory at Aiken Country Technology Lab (ACTL) better understand the sludge composition on the rheology of a simulant slurry using a HAAKE RheoStress 6000 rheometer and extrapolate the results to the real-waste data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Generative Physics-Informed Neural Network Solving Multi-Scale and Multi-Phase Plasma Chemical Flow Field

Low-temperature plasmas (LTPs) are non-equilibrium systems with near-room-temperature gas and highly energetic electrons. This makes them ideal for delicate applications in biomedicine and semiconductor manufacturing, enabling processes like wound healing, sterilization, etching, and plasma-enhanced chemical vapor deposition without thermal damage. However, LTPs involve complex chemistries, with hundreds of species and thousands of reactions, complicating their diagnosis, prediction, and control. Conventional diagnostics, such as Fourier-transform infrared spectroscopy (FTIR), laser-induced fluorescence (LIF), and optical emission spectroscopy (OES), offer limited species detection, while mass spectrometry (MS) struggles with low-sensitivity species. Additionally, LTP simulations face multi-scale challenges, as macroscopic fluid dynamics and microscopic particle collisions operate on vastly different timescales. To address these issues, we developed an artificial intelligence (AI) based diagnostic system: a generative physics-informed neural network (PINN-Gen) that can predict spatially resolved species concentrations and temperatures in LTPs by integrating experimental data from planar LIF with microscopic plasma chemical kinetics and macroscopic fluid mechanics, including plasma-liquid interactions at the interface between two phases. PINN-Gen solves no equations but checks the errors of physical laws by substituting the output from neural network, and the comparison with the experimental results. Thus, it naturally avoids the multi-scale difficulty of numerical simulations and predicts the results of conventionally unsolvable multi-scale and multi-phase problems. The real-time prediction will be robust due to the physical information used in the training of such a neural network, and only very limited input of condition required due to its generative feature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Beam Shaping and Oscillation for Metals Additive Manufacturing

Additive Manufacturing (AM) is pivotal for next-generation industrial manufacturing but is hampered by process control challenges leading to unwanted defects and sub-optimal material properties. Our research builds on prior work that utilized beam oscillation techniques to mitigate these issues (Wu et al., 2023). We focus on investigating the influence of beam oscillation frequency on melt pool dynamics, utilizing in-situ synchrotron material characterization from the ESRF (Chen et al., 2026). Preliminary findings indicated that beam oscillation results in unique fluid flow patterns and enhanced melting stability. These findings suggested the possibility of optimized AM process control, including minimized defects and tailored thermal histories. We proposed further research to explore the effects of beam oscillation frequencies comprehensively, using the in-situ characterization capabilities at the ESRF. The goal was to quantify this relationship, offering a pathway to more precise AM process control and optimization. Our research is expected to offer new scientific insights into the fluid mechanics and thermal behaviour in AM, contributing to its broader applicability and commercial viability.

36 MATERIALS SCIENCE↗

Thermal field reconstruction and compressive sensing using proper orthogonal decomposition

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

Matulis, John↗

A Novel CAE Method for Compression Molding Simulation of Carbon Fiber-Reinforced Thermoplastic Composite Sheet Materials

Its high-specific strength and stiffness with lower cost make discontinuous fiber-reinforced thermoplastic (FRT) materials an ideal choice for lightweight applications in the automotive industry. Compression molding is one of the preferred manufacturing processes for such materials as it offers the opportunity to maintain a longer fiber length and higher volume production. In the past, we have demonstrated that compression molding of FRT in bulk form can be simulated by treating melt flow as a continuum using the conservation of mass and momentum equations. However, the compression molding of such materials in sheet form using a similar approach does not work well. The assumption of melt flow as a continuum does not hold for such deformation processes. To address this challenge, we have developed a novel simulation approach. First, the draping of the sheet was simulated as a structural deformation using the explicit finite element approach. Next, the draped shape was compressed using fluid mechanics equations. The proposed method was verified by building a physical part and comparing the predicted fiber orientation and warpage measurements performed on the physical parts. The developed method and tools are expected to help in expediting the development of FRT parts, which will help achieve lightweight targets in the automotive industry.

36 MATERIALS SCIENCE↗

Gas Atomization of Molten Metal: Part I. Numerical Modeling Conception

This numerical analysis study entails creating and assessing a model that is capable of simulating molten metal droplets and the production of metal powder during the Gas Atomization (GA) method. The essential goal of this research aims to gather more information on simulating the process of creating metal powder. The model structure and perspective was built through the application of governing equations and aspects that utilized factors such as gas dynamics, droplet dynamics, energy balance, heat transfer, fluid mechanics and thermodynamics that were proposed from previous studies. The model is very simple and can be broken down into having a set of inputs to produce outputs. The inputs are the processing parameters such as the initial temperature of the metal alloy, the gas pressure and the size of the droplets. Additional inputs include the selection of the metal alloy and the atomization gas and factoring in their properties. The outputs can be designated by the velocity and thermal profiles of the droplet and gas. These profiles illustrate the speed of both as well as the rate of temperature change or cooling rate of the droplets. Here, the main focus is the temperature change and finding the right parameters to ensure that the metal powder is efficiently produced. Once the model was conceptualized and finalized, it was employed to verify the results of other previous studies.

36 MATERIALS SCIENCE↗

Gas Atomization of Molten Metal: Part II. Applications

A numerical model was derived to obtain results for two alloys during the Gas Atomization (GA) method. The model equations and governing equations were implemented through the application of part I data. Aspects such as heat transfer, fluid mechanics, thermodynamics and law of motions were taken into account for the formulation of equations that take gas dynamics, droplet dynamics and energy balance or conservation into consideration. The inputs of the model include: Processing parameters such as the size of the droplets, characteristics of the metal alloy, initial temperature of the molten metal, properties and fractions of the atomization gas and the gas pressure. The outputs include velocity and thermal profiles of the droplet and gas. Velocity profiles illustrate the velocity of both droplet and gas, while thermal profiles illustrate cooling rate and the rate of temperature change of the droplets. The alloys are gamma-Titanium Aluminide (γ-TiAl) and Al-3003-O. These alloys were selected due to the vast amount of applications both can have in several industries. Certain processing parameters were held constant, while others were altered. Furthermore, the main focus of this study was to gain insight into which optimal parameters should be utilized within the GA method for these alloys and to provide insight into the behavior of these alloys

36 MATERIALS SCIENCE↗

STATISTICAL DECOUPLING OF A LAGRANGIAN FLUID PARCEL IN NEWTONIAN COSMOLOGY

The Lagrangian dynamics of a single fluid element within a self-gravitational matter field is intrinsically non-local due to the presence of the tidal force. This complicates the theoretical investigation of the nonlinear evolution of various cosmic objects, e.g., dark matter halos, in the context of Lagrangian fluid dynamics, since fluid parcels with given initial density and shape may evolve differently depending on their environments. In this paper, we provide a statistical solution that could decouple this environmental dependence. After deriving the evolution equation for the probability distribution of the matter field, our method produces a set of closed ordinary differential equations whose solution is uniquely determined by the initial condition of the fluid element. Mathematically, it corresponds to the projected characteristic curve of the transport equation of the density-weighted probability density function (ρPDF). Consequently it is guaranteed that the one-point ρPDF would be preserved by evolving these local, yet nonlinear, curves with the same set of initial data as the real system. Physically, these trajectories describe the mean evolution averaged over all environments by substituting the tidal tensor with its conditional average. For Gaussian distributed dynamical variables, this mean tidal tensor is simply proportional to the velocity shear tensor, and the dynamical system would recover the prediction of the Zel’dovich approximation (ZA) with the further assumption of the linearized continuity equation. For a weakly non-Gaussian field, the averaged tidal tensor could be expanded perturbatively as a function of all relevant dynamical variables whose coefficients are determined by the statistics of the field.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiphysics analysis of liquid metal annular linear induction pumps: A project overview

Liquid metal-cooled fission reactors are both moderated and cooled by a liquid metal solution. These reactors are typically very compact and they can be used in regular electric power production, for naval and space propulsion systems or in fission surface power systems for planetary exploration. The coupling between the electromagnetics and thermo-fluid mechanical phenomena observed in liquid metal thermo-magnetic systems for nuclear and space applications gives rise to complex engineering magnetohydrodynamics and numerical problems. It is known that electromagnetic pumps have a number of advantages over rotating mechanisms: absence of moving parts, low noise and vibration level, simplicity of flow rate regulation, easy maintenance and so on. However, while developing annular linear induction pumps, we are faced with a significant problem of magnetohydrodynamic instability arising in the device. The complex flow behavior in this type of devices includes a time-varying Lorentz force and pressure pulsation due to the time-varying electromagnetic fields and the induced convective currents that originates from the liquid metal flow, leading to instability problems along the device geometry. The determinations of the geometry and electrical configuration of liquid metal thermo-magnetic devices give rise to a complex inverse magnetohydrodynamic field problem were techniques for global optimization should be used, magnetohydrodynamics instabilities understood –or quantified- and multiphysics models developed and analyzed. Lastly, we present a project overview as well as a few computational models developed to study liquid metal annular linear induction pumps using first principles and the a few results of our multi-physics analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fundamental Advancements in Pre-Chamber Spark Ignition and Emissions Control for Natural Gas Engines

Argonne National Laboratory, the National Renewable Energy Laboratory, Oak Ridge National Laboratory, and Sandia National Laboratories collaborated on research to address barriers for natural gas engine efficiency. This research project focuses on early stage research focusing on pre-chamber spark-ignition (PCSI) to achieve diesel-like efficiency in medium- and heavy-duty natural gas engines by extending the lean dilution limit and/or exhaust gas recirculation (EGR) dilution limit, as well as shortening burn duration, with integrated aftertreatment. This project integrates experimental and simulation based tasks to address four key barriers to market penetration of PCSI for medium- and heavy-duty natural gas engines. These include Inadequate science base and simulation tools to describe/predict the fluid-mechanical and chemical-kinetic processes governing PCSI to enable engineers in industry to optimize designs for efficiency, noise, reliability, pollutant formation, emissions control integration, and drivability; limited ability to extend EGR and/or lean dilution limits at higher loads; increased propensity for PCSI hot-spot pre-ignition at high loads relative to spark ignition; and ineffective methane catalysts for the high engine-out unburned fuel concentrations coupled with low exhaust temperatures (<<400 degrees C) of high efficiency engines.

33 ADVANCED PROPULSION SYSTEMS↗

Constructing and proving the ground state of a generalized Ising model by the cluster tree optimization algorithm

Generalized Ising models, also known as cluster expansions, are an important tool in many areas of condensed-matter physics and materials science, as they are often used in the study of lattice thermodynamics, solid-solid phase transitions, magnetic and thermal properties of solids, and fluid mechanics. However, the problem of finding the global ground state of generalized Ising model has remained unresolved, with only a limited number of results for simple systems known. We propose a method to efficiently find the periodic ground state of a generalized Ising model of arbitrary complexity by a new algorithm which we term cluster tree optimization. Importantly, we are able to show that even in the case of an aperiodic ground state, our algorithm produces a sequence of states with energy converging to the true ground state energy, with a provable bound on error. Compared to the current state-of-the-art polytope method, this algorithm eliminates the necessity of introducing an exponential number of variables to counter frustration, and thus significantly improves tractability. We believe that the cluster tree algorithm offers an intuitive and efficient approach to finding and proving ground states of generalized Ising Hamiltonians of arbitrary complexity, which will help validate assumptions regarding local vs. global optimality in lattice models, as well as offer insights into the low-energy behavior of highly frustrated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Turbulence Model Study for Pressure and Velocity Distributions for Molten Salts in a Crossflow Tube Bundle

Empirical pressure drop correlations for various compositions of molten salts in crossflow across tube bundles/banks are limited due to the scarcity of experimental data for these fluids. This lack of experimental data presents a limitation when designing heat exchangers for Molten Salt Reactors (MSRs) that utilize cross-flow configurations with turbulent molten salts flowing in the shell side. In an effort to provide a starting point for future design and experimental work, a computational fluid dynamics (CFD) campaign is being conducted to estimate pressure drops over a range of Reynolds numbers, pitch to diameter ratios, and for both staggered and in-line tube banks. In an effort to continue this work, the study of various turbulence models were conducted to determine the applicability for steady RANS simulations. An in-line tube bank with FLiBe (LiF-BeF{sub 2}), a frequently selected molten salt in MSRs, was selected for these simulations. The estimated pressure drops and pressure and velocity distributions for each turbulence model was compared to determine the applicability. The k-ε turbulence model family was found to be the most appropriate model for steady Reynolds averaged Navier Stokes within this type of domain. Difference turbulence models were investigated for simulation of molten salt experiencing crossflow within an in-line tube bundle. The flow was simulated using a steady RANS formulation with different families of turbulence models. The different turbulence models provide a view of this specific flow behavior potential requirements and applicable for steady RANS. Of particular note, the k-ε models were able to converge easily within this domain. The predicted behavior for both models were observed to be mostly similar for both velocity and pressure distributions. Whereas, k-ω SST and SA models did not converge well and had observable differences for the predictions of pressure and velocity distributions. The global behaviors were generally similar, but the variations occurring suggest k-ω SST and SA turbulence models are not useful in the steady RANS formulation of this domain. When comparing to the empirical pressure drop, each turbulence model resulted in overpredictions ranging from 8.7% and 19.75% difference. The standard low-Re k-ε model having the lowest difference is likely the better model for simplified predictions for pressure drops. Further investigations will be conducted to determine the convergence issues for the k-ω SST and SA turbulence models. These might be due to the flow geometry or potentially a revision of the meshing is needed. The flow behavior may not be resolved using these models in a steady formulation due to inherent unsteadiness of the flow. (authors)

42 ENGINEERING↗

CFD-Informed Spacer Grid Models in the Subchannel Code CTF

Data from computational fluid dynamics (CFD) simulations can be utilized to improve the predictive capabilities of the subchannel code CTF. Past work incorporating CFD results into CTF has included accounting for directed crossflow and turbulent mixing between adjacent subchannels. Spacer grids impact fluid flow in various ways, and this work focuses on four spacer grid effects, namely: 1. Directed crossflow; 2. Turbulent mixing; 3. Enhanced downstream heat transfer; 4. Pressure drop correlation. Heat transfer augmentation occurs partially due to the disturbances in the developed flow and from the additional turbulence generated by the presence of obstructions in the fluid flow's path. The boundary layer disruption is caused in part by the newly-directed flow just downstream of the spacer grid vanes. This effect lessens as the distance from the grid increases and the flow returns to its developed state, closer to what would be expected in a bare subchannel. Current plans of this work are to develop a method for incorporating the effects of spacer grids on the heat transfer calculation within CTF. Proposed techniques include the addition of an enhancement factor to the local heat transfer coefficient. The inclusion of CFD data from properly-designed simulations will allow CTF to better predict parameters such as fluid temperatures near spacer grids. Improved pressure loss coefficients for each grid can also be generated using CFD simulations. The heat transfer modification has been studied, with other authors noting correlations which are dependent on grid properties such as the blockage ratio. Parameters considered in this study are the turbulent kinetic energy (TKE) and vorticity. There are currently no models to calculate or store either of these parameters within CTF. When accounting for spacer grid effects in CTF, it is important to not double-count the effects towards two different CTF models. This requires carefully designing CFD simulations around capturing specific phenomena from the grids and being able to apply these CFD results to all appropriate flow conditions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Distributed Temperature Sensing within a 19-pin Wire-Wrapped Fuel Bundle Model

It has always been difficult to measure local temperature and flow velocity within fuel bundle geometries because of their complex and compact layouts. High-resolution mapping of the flow field is especially challenging. High-resolution data is typically obtained using optical instruments but optical access to the interior regions of a bundle is severely limited. Velocity fields within fuel bundle models have been mapped with particle image velocimetry (PIV), an optical technique that employs lasers and cameras. Optical access to the bundle interior is obtained using transparent materials and matching the refractive index of the physical structures with that of the fluid. Testing is necessarily isothermal because refractive indices vary with temperature. However, the ultimate aim of such studies is understanding fluid dynamics and heat transfer within real reactors and so flow field mapping under nonisothermal conditions is of particular interest. Temperature fields can be mapped at high-resolution using laser-induced fluorescence (LIF). However, as an optical technique it is unsuitable for nonisothermal liquid flows. This is due to the same sort of optical distortion that restricts PIV. It is also unsuitable for opaque fluids and setups with restricted optical access. Fiber optic distributed temperature sensing (DTS) offers a high-resolution alternative that does not rely upon imaging. A single sensor can map temperature fields at resolutions far exceeding that achievable with conventional sensors such as thermocouples. Though fiber optic sensors cannot match the spatial resolution and bandwidth of LIF, they are suitable for nonisothermal and opaque flows. And though fibers are physical probes that perturb the flow, they can be strung across complex geometries to provide data in regions lacking the optical access necessary for techniques like LIF. Distributed temperature sensing has the potential to provide fuel bundle temperature data of a type that cannot be obtained with optical methods or conventional sensors. This paper reports on preliminary results of efforts to use fiber optic distributed temperature sensors in a fuel bundle model. We are conducting a feasibility study exploring implementation issues such as strain control in the mounting configuration and signal noise associated with flow-induced vibration. We describe here the setup and present preliminary data from our first phase testing with stagnant flow. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗