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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 181 records · Page 10

Mechanistic understanding of carbon mineralization in fracture systems using microfluidics

Carbon mineralization in mafic and ultramafic rocks presents an opportunity for permanent carbon storage in the Earth's subsurface. However, due to their lower permeability, pre-existing fracture networks are key for mineralization to occur. Therefore, to fully develop this technology, a mechanistic understanding of the mineralization behavior in fractures with the consideration of hydrodynamic components is required. We use high-pressure microfluidics to investigate key mechanisms influencing dissolution–precipitation in a fracture network. The experiments were conducted in micromodels made of natural rocks with a comb-shaped flow channel to mimic a fracture network. This enabled studying the effect of injection rate on coupled dissolution–precipitation in advection and diffusion-dominated flow paths. We used gypsum carbonation as an analog reaction to allow for realistic experimental time frames due to its rapid reaction kinetics. The experimental work is coupled with high-fidelity numerical simulations to enhance our understanding of the parameters affecting the mineralization reaction. Our results demonstrate the importance of flow rate on the rate and nature of the gypsum carbonation reaction revealing that higher flow rates enable deeper penetration of the mineral precipitation front into the dead-end channels. This is an important finding since for sustained mineralization in a fracture network, precipitation in dead-ends while still allowing for flowing fractures is critical. Detailed characterization of the precipitates showed that lower flow rates led to porous and loose precipitates in the form of aragonite while higher flow rates mimicked supersaturation behavior leading to the formation of calcite. The reactive transport simulations further demonstrated the significance of flow velocity in advection-dominated channels to influence the efficiency of carbon mineralization in diffusion-dominated channels, potentially clogging of dead-end channels. These findings highlight the need for coupling chemical, mechanical, and hydrodynamic processes to evaluate the nature and extent of carbon mineralization in fractured media critical for permanent storage in mafic and ultramafic formations. This research further highlights the need for more investigation in potential subsurface fracture generation techniques to aid carbon mineralization.

25 ENERGY STORAGE↗

Classical dynamics of vortex solitons from perturbative scattering amplitudes

Abstract We introduce a novel point-particle effective description of ANO vortex solitons in the critical Abelian Higgs Model (AHM) ind= 2 + 1 based on the small winding expansion. Identifying the effective vortices with the elementary quanta of a complex scalar field, relativistic vortex-vortex scattering amplitudes are calculated as a diagrammatic, perturbative expansion in the winding numberN. Making use of powerful techniques recently developed for analyzing the post-Minkowskian two-body problem in general relativity, we efficiently extract the contribution to the loop integrals from the classical potential region, with the resulting velocity expansion subsequently resummed to all orders. The main result of this paper is an analytic expression for the classical, vortex-vortex potential at$$ \mathcal{O} $$ O (N 2 ), or one-loop, with exact velocity dependence. By truncating the resulting effective Hamiltonian at$$ \mathcal{O} $$ O (p 2 ) we derive an analytic, perturbative expression for the metric on the 2-vortex moduli space. Finally, the emergence of the critical AHM from the classical limit of the$$ \mathcal{N} $$ N = 2 supersymmetric AHM, and the resulting constraints on the point-particle EFT is described in detail using an on-shell superspace construction for BPS states ind= 2 + 1.

Physics↗

Interfacial Nanostructure and Hydrogen Bond Networks of Choline Chloride and Glycerol Mixtures Probed with X-ray and Vibrational Spectroscopies

The molecular distribution at the liquid-vapor interface and evolution of the hydrogen bond interactions in mixtures of glycerol and choline chloride are investigated using X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Nanoscale depth profiles of supersaturated deep eutectic solvent (DES) mixtures up to ~2 nm measured by ambient-pressure XPS show the enhancement of choline cation (Ch + ) concentration by a factor of 2 at the liquid-vapor interface compared to the bulk. In addition, Raman spectral analysis of a wide range of DES mixtures reveals the conversion of gauche-conformer Ch + into the anti-conformer in relatively lower ChCl concentrations. Finally, the depletion of Ch + from the interface (probing depth = 0.4 nm) is demonstrated by aerosol-based velocity map imaging XPS measurements of glyceline and water mixtures. The nanostructure of liquid-vapor interfaces and structural rearrangement by hydration can provide critical insight into the molecular origin of the deep eutectic behavior and gas-capturing application of DESs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Causal fermion states in magnetic field in a relativistic rotating frame and electromagnetic radiation by a rapidly rotating charge

We consider the Dirac field uniformly rotating with angular velocity Ω and also subject to the constant magnetic field B directed along the rotation axis. The causal states are constrained to the interior of the light cylinder of radius c / Ω . When this radius is smaller than the system size, as in the quark-gluon plasma, the effect of the boundary on the fermion spectrum is critical. We derive the fermion spectrum and study its properties. We compute the intensity of the electromagnetic radiation emitted due to transitions between the fermion states. We study its dependence on energy and angular momentum for different values of the angular velocity and the magnetic field. Rotation has enormous impact on the electromagnetic radiation by the quark-gluon plasma with or without the magnetic field. Published by the American Physical Society 2024

Buzzegoli, Matteo (ORCID:0000000221145431)↗

Theoretical assessment of the transition between electron emission mechanisms in a collisional crossed-field gap

Understanding the transition to the limiting current under vacuum and collisional conditions for thermal-field emission in a crossed-field gap is critical for characterizing the operating regime for numerous applications, such as high-power microwaves and Hall thrusters. By deriving the exact solution for the current density as a function of cathode temperature (and, by extension, initial velocity), cathode electric field, applied voltage, collision frequency, and magnetic field, we determine the transition from the canonical current source (thermal-field emission) to the vacuum and collisional limiting currents under different operating conditions. Here, we further show that the exact solution recovers the asymptotic solutions for the canonical and limiting currents for vacuum and collisional crossed-field gaps under appropriate limits. The exact solution demonstrates that the critical current decreases with both increasing magnetic field strength and increasing collisionality. Nexus phase space plots constructed by matching the individual asymptotic solutions provide the conditions for the transitions between mechanisms, elucidating when a single mechanistic equation would suffice and when theories combining multiple mechanisms are necessary.

Breen, Lorin I. [Purdue Univ., West Lafayette, IN ↗

Experimental and Kinetic Modeling Study of 3-Methyl-2-butenol (Prenol) Oxidation

Longer chain alcohols with 4–5 carbon atoms are attractive alternative fuels as they can be derived from biological sources and since their combustion leads to lower exhaust gas levels of NO x and soot compared to commercial fossil fuels. The auto-ignition behavior of fuels that contain both a hydroxyl group and a C=C double bond in their molecular structure is not well established in the literature. Understanding the influence of these functional groups on the ignition behavior of fuels is critical in the development of tailor-made fuels for advanced combustion engines. In this study, ignition delay times of an unsaturated alcohol, 3-methyl-2-butenol (prenol), are measured using a high-pressure shock tube and a rapid compression machine at pressures of 15 and 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 in “air” in the temperature range 600–1400 K. Furthermore, a detailed kinetic model is developed and validated using the new experimental data in this study. In addition, speciation data in a jet-stirred reactor, ignition delay times, and laminar burning velocities available in the literature were also used to validate the new kinetic model. Fuel flux and sensitivity analyses are performed using this new model to determine the important fuel consumption pathways and critical reactions that affect the reactivity of prenol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing iron in Earth’s core with molecular-spin dynamics

Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein, a machine-learned ab initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements. In addition, a unique coupling of MSD with time-dependent density functional theory enables gauging electronic transport properties, critically important for resolving geodynamo dynamics.

58 GEOSCIENCES↗

Nonlinear Hall effect in Weyl semimetals induced by chiral anomaly

In this work, we predict a nonlinear Hall effect in certain Weyl semimetals with broken inversion symmetry. When the energy dispersions about pairs of Weyl nodes are skewed-the Weyl cones are "tilted"-the concerted actions of the anomalous velocity and the chiral anomaly give rise to the nonlinear Hall effect. This Hall conductivity is linear in both electric and magnetic fields and depends critically on the tilting of the Weyl cones. We also show that this effect does not rely on a finite Berry curvature dipole, in contrast with the intrinsic quantum nonlinear Hall effect that was recently observed in type-II Weyl semimetals.

36 MATERIALS SCIENCE↗

Joint physics-based and data-driven time-lapse seismic inversion: Mitigating data scarcity

In carbon capture and sequestration (CCS), developing rapid and effective imaging techniques is crucial for real-time monitoring of the spatial and temporal dynamics of CO 2 propagation during/after injection. With continuing improvements in computational power and data storage, data-driven techniques based on machine learning (ML) have been effectively applied to seismic inverse problems. In particular, ML helps alleviate the ill-posedness and high computational cost of full-waveform inversion (FWI). However, such data-driven inversion techniques require massive high-quality training data sets to ensure prediction accuracy, which hinders their application to time-lapse monitoring of CO 2 sequestration. We propose an efficient “hybrid” time-lapse workflow that combines physics-based FWI and data-driven ML inversion. The scarcity of the available training data is addressed by developing a new data-generation technique with physics constraints. The method is vali dated on a synthetic CO 2 -sequestration model based on the Kimberlina storage reservoir in California. The proposed approach is shown to synthesize a large volume of high-quality, physically realistic training data, which is critically important in accurately characterizing the CO 2 movement in the reservoir. In conclusion, the developed hybrid methodology can also simultaneously predict the variations in velocity and saturation and achieve high spatial resolution in the presence of realistic noise in the data.

58 GEOSCIENCES↗

Anharmonic Eigenvectors and Acoustic Phonon Disappearance in Quantum Paraelectric SrTiO 3

Pronounced anomalies in the SrTiO 3 dynamical structure factor, S(Q,E), including the disappearance of acoustic phonon branches at low temperatures, were uncovered with inelastic neutron scattering (INS) and simulations. The striking effect reflects anharmonic couplings between acoustic and optic phonons and the incipient ferroelectric instability near the quantum critical point. It is rationalized using a first-principles renormalized anharmonic phonon approach, pointing to nonlinear Ti-O hybridization causing unusual changes in real-space phonon eigenvectors, frequencies, group velocities, and scattering phase space. Lastly, our method is general and establishes how T dependences beyond the harmonic regime, assessed by INS mapping of large reciprocal-space volumes, provide real-space insights into anharmonic atomic dynamics near phase transitions.

36 MATERIALS SCIENCE↗

Improving indirect-drive ablator performance through pulse shaping and material selection in double shell implosions

The double shell path to inertially confined volumetric thermonuclear burn relies on efficient kinetic energy transfer from an outer ablator shell to an inner shell containing DT fuel at implosion velocities near 250 km/s. In order to experimentally realize adequate compression, target imperfections and assembly features must be tightly controlled. Pulse shape and ablator material are critical design choices that impact all aspects of the implosion. In this article, we evaluate three designs: an Al ablator with single-shock radiation drive, a CH ablator with single-shock drive, and a CH ablator with reduced-adiabat 2-shock drive. All designs use the same W inner (pusher) shell overcoated with a glow discharge polymer tamper and filled with liquid-density DT. One-dimensional HYDRA simulations revealed that the plastic ablator design required the use of the 2-shock drive to match the performance of the Al design. Two-dimensional simulations resolving broadband surface roughness up to modes of several hundred placed only on the ablator showed plastic to greatly outperform Al. The plastic ablator designs did exhibit higher levels of inner shell instability growth when surface roughness was only placed at the pusher/tamper interface, which was mitigated with higher foam cushion densities. A unique and additional benefit of a plastic ablator is also discussed, where heating of the ablator by Au M-band radiation is predicted to rapidly expand the hemi-shell surfaces, closing the equatorial joint gap ahead of the first shock. Taken together, the properties of the plastic ablator for indirect-drive double shell implosions appear promising in removing several long-standing fabrication challenges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Skyrmionium dynamics and stability on one dimensional anisotropy patterns

We examine a skyrmionium driven over a periodic anisotropy pattern, which consists of disorder free regions and disordered regions. For small defect densities, the skyrmionium flows for an extended range of currents, and there is a critical current above which it transforms into a skyrmion. For increased amounts of quenched disorder, the current needed for the skyrmionium to transform into a skyrmion decreases, and there is a critical disorder density above which a moving skyrmionium is not stable. In the moving state, the skyrmionium to skyrmion transformation leads to a drop in the velocity and the onset of a finite skyrmion Hall angle. We also find a reentrance effect in which the pinned skyrmionium transforms into a skyrmion just above depinning, restabilizes into skyrmionium at larger drives, and becomes unstable again at large currents. In conclusion, we also show that adding a transverse shaking drive can increase the lifetime of a moving skyrmionium by reducing the effect of the pinning in the direction of the drive.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development and Use of an Ultra-High Resolution Electron Scattering Apparatus

In this LDRD project, we developed a versatile capability for high-resolution measurements of electron scattering processes in gas-phase molecules, such as ionization, dissociation, and electron attachment/detachment. This apparatus is designed to advance fundamental understanding of these processes and to inform predictions of plasmas associated with applications such as plasma-assisted combustion, neutron generation, re-entry vehicles, and arcing that are critical to national security. We use innovative coupling of electron-generation and electron-imaging techniques that leverages Sandia’s expertise in ion/electron imaging methods. Velocity map imaging provides a measure of the kinetic energies of electrons or ion products from electron scattering in an atomic or molecular beam. We designed, constructed, and tested the apparatus. Tests include dissociative electron attachment to O2 and SO2, as well as a new method for studying laser-initiated plasmas. This capability sets the stage for new studies in dynamics of electron scattering processes, including scattering from excited-state atoms and molecules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

EXPERIMENTAL INVESTIGATION OF IMPACT AND ABRASION EROSIONS AT LOW VELOCITIES AND COMPARISON TO CFD SIMULATIONS

Wear and erosion damage of materials due to interaction of the surface with solid particles is a major issue in various industries. This phenomenon is common in mining, and oil and gas production, causing damages worth millions of dollars annually. Erosion is becoming a critical issue in renewable technologies as well such as concentrated solar thermal power (CSP) systems. In some CSP systems, solid particles can be used to absorb solar energy and enhance the heat storage. However, these particles may cause significant amount of wear to system components while falling down the power tower at high temperatures. This damage can be costly, and therefore, investigating solid particle erosion in CSP systems is of utmost importance. In collaboration with Sandia National Laboratories, the erosion durability of particle-based Generation 3 (GEN3) CSP system are being investigated both experimentally and numerically. In order to develop models to predict the life time of such systems, erosion under low temperature and low particle impact velocity conditions are investigated. Impact erosion and abrasion erosion experiments are conducted for low velocity and low temperature conditions for various candidate particles and containment materials. The impact erosion testing is conducted for three different containment material including Stainless Steel 316, special refractory material, and Inconel 740H with CARBOBEAD HSP 40/70 ceramic particles and UNIWEST 430 silica quartz erodent particles. All this data will enable us to better model the erosion behavior of these materials and provides a data base to investigate erosion at high temperatures experienced in CSP systems. At low temperatures and low velocities the softer refractory material exhibited greater erosion by an order-of-magnitude when compared to the harder Inconel 740H and Stainless Steel 316 materials. The overall erosion ratio for all the candidate materials was of the order of 10 -7 kg/kg. We also investigated wear in containment materials from sliding of particles over the surfaces at very low angles, also referred to as abrasion. For the velocities expected in a typical 1MW CSP plant, visible surface wear was noted, but the overall mass loss per unit surface area was found to be dependent on the hardness of the containment material tested. In this manuscript, we also present Computational Fluid Dynamics (CFD) simulations and erosion prediction of low velocity impact erosion. These results are compared with the experimental data to evaluate the ability of available erosion models for predicting erosion under these conditions.

14 SOLAR ENERGY↗

MAGNETICALLY SUSPENDED CANNED ROTOR PUMPS FOR THE INTEGRAL MOLTEN SALT REACTOR

This project developed a molten salt pump design for small modular reactors, concentrated solar, and Gen IV nuclear reactors with a magnetically levitated rotor that can operate at temperatures of up to 700 °C. This eliminates the need for rotating seals and roller element bearings which require maintenance and are prone to failure. The pump design is also more compact than existing molten salt pump designs which require long shafts to thermally isolate the electric motor. The aims of the project are to: 1) design and test the molten salt pump, 2) develop and test a high temperature position sensor needed for magnetic bearing control, and 3) develop and test high temperature coil fabrication methods for electric motor and magnetic bearing fabrication. To develop the high temperature coils, conductor materials were analyzed for oxidation, diffusion, cladding, and resistivity. Of the candidate conductor materials that met the requirements, silver was chosen. The long-term impact of radiation on silver resistivity was analyzed by developing a model of a generic molten salt fast reactor to model the conductor irradiation in worst case scenarios. The analysis showed that increased resistivity due to transmutation of silver decreases exponentially with the reactor reflector thickness. Different electrical insulation materials were tested and the final high temperature coils developed were able to withstand conductor to ground voltages up to 1800 V before insulation breakdown. Magnetic bearings require high-precision high-speed measurements of the rotor position to operate. Current commercial position sensors can only operate up to 550 °C so a novel position sensor was developed that can operate up to 800 °C. These sensors were also designed to measure the position of the metallic rotor through a thin metallic corrosion barrier that protects that coils, insulation, and magnetic cores so that the salt containment barrier does not have any penetrations. The high-temperature sensor was tested and had comparable performance to commercially available inductive position sensors. The sensor design and signal processing has led to several invention disclosures. The magnetically levitated molten salt pump design was completed and analyzed. The chloride salt test loop at Oak Ridge National Laboratory was chosen to test the pump and the pump hydraulics and power were designed for the test loop flow and pressure requirements. Classes of motor designs that do not utilize permanent magnetic were considered for the high-temperature motor. After extensive analysis of their performance, a synchronous reluctance motor was chosen for the pump. The design was refined and analyzed to optimize performance. The magnetic bearings were designed to meet the force and frequency requirements necessary to levitate the rotor and reject disturbances from rotor imbalance, motor forces, and hydraulic forces. Compliant mounts for the position sensors were designed that would not damage the ceramic sensor components and maintain sensor alignment over a wide temperature range. A thermal hydraulic analysis of the molten salt coolant flow used to cool the rotor and stator was performed to ensure that the maximum temperature in the rotor and stator will not exceed 725 °C. The corrosion barrier and casing were designed to maintain the salt fluid boundary by using compliant features to absorb large expansion mismatches due to different coefficients of thermal expansion (CTE). Finally, the salt drain and fill systems were designed along with the pump support structure, integration with the test loop, and thermal insulation and heating. Corrosion barrier fabrication experiments were performed to assess using laser cladding to apply a sub-millimeter corrosion barrier to the surface of a Fe-Co-V magnetic core material. The cladding method showed minimal mixing between materials at their interface and withstood temperature cycling without damage to the cladding. The technology commercialization is focused on the high-temperature position sensors and there has been significant interest from the nuclear industry in utilizing these sensors along with some interest from the aerospace industry. The project also led to a research collaboration with a fusion energy industrial partner to study barriers to scaling the pump design from the kW size to the MW size. This research collaboration will also study methods to create high-temperature coils that have conductor to ground breakdown voltages above 5 kV. The successful development of high-temperature electromagnetic coils and high-temperature position sensors greatly increases the temperature limits for electromagnetic devices that don’t rely on permanent magnets. This includes electric motors, magnetic bearings, linear actuators, rotary position and velocity sensing, actuated valves, and generators to name a few. This will fill a current need in molten salt reactors, concentrated solar, and fusion energy for these critical peripheral devices needed for practical reactor designs that do not currently have commercial solutions.

Hines, J Wesley↗

Development of Thermal Scattering Law and Cross Sections of Hydrogen in Paraffin Wax

Paraffin wax is frequently used as a neutron moderator and shielding material. The main component of paraffin wax is straight-chain alkanes (n-alkanes). The deposition of paraffin wax is primarily attributed to the crystallization of n-alkanes. It is important to gain a deeper understanding of the mechanisms underlying the behavior of paraffin wax, which would impact the thermal scattering Law (TSL) and cross sections and affect the analysis of neutronic and critical systems. In this work, a classical molecular dynamics (CMD) simulation model was used in LAMMPS to create the TSL and cross sections at room temperature and pressure. To generate the required velocity autocorrelation functions (VACF), previously published data were used to validate the approach and models by comparing them with key model parameters. The phonon density of state (DOS) was calculated using Fourier transformation of the normalized VACF. This DOS was used as the primary input to estimate the TSL (S($a$, $β$)) and cross sections of hydrogen in paraffin wax. The TSL and cross sections of hydrogen were estimated using the Full Law Analysis Scattering System Hub (FLASSH) code. The cross section of hydrogen in paraffin wax is consistent with other hydrocarbon materials such as polyethylene with deviations due to structure in the lowest energy region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hydrokinetic Turbines in Yawed Conditions: Toward Synergistic Fluvial Installations

Laboratory experiments were performed in critical mobility conditions to study the effects of an in-stream horizontal axis turbine in yawed conditions. The misalignment between the rotor axis and the incoming flow velocity is observed to alter the near and far wake of the turbine, as well as the scour and deposition patterns in the proximity of the monopile support tower. Various hydraulic conditions may lead to such misalignment, e.g., as a result of complex fluvial bathymetries distorting the flow or as a strategy to steer the wake away from downstream units and maximize energy production in a turbine array. The research first investigates the simplest case of a single turbine deployed along the channel centerline and oriented at different yaw angles to study the wake deflection and the turbine performance. A second set of experiments is performed moving the turbine relatively close to a nonerodible lateral wall to explore a potential passive yaw control strategy devoted to protect the banks from erosion by steering the wake toward the channel center and favor deposition along the bank.

42 ENGINEERING↗

Real-time tracking and analysis of gas bubble dynamics in laser powder bed fusion using in-situ X-ray characterization and machine learning

Porosity defects remain a significant challenge in the laser powder bed fusion (LPBF) process, adversely affecting the mechanical properties and reliability of additively manufactured components. Here, this study investigates the real-time formation and trajectory of gas bubbles during LPBF of Al6061 alloy using advanced in-situ X-ray characterization and machine learning. The unsupervised Gaussian mixture model and particle tracking algorithm developed are able to precisely track and quantify the properties of gas bubbles and keyhole pores. Our analysis identified five distinct types of gas bubble formation and movement patterns, emphasizing the diverse origins and behaviors of these defects. It enables precise quantification of trajectories, velocities, and morphological changes of gas bubbles, offering a granular view of the subsurface dynamics within the melt pool. Additionally, we explored keyhole-induced pore dynamics, revealing the critical role of keyhole oscillation and collapse for the formation of both large and small gas pores. It defines four different regions of gas bubble movement within the melt pool, providing a clearer understanding of how local fluid dynamics affect pore behavior. The results underscore the importance of integrating in-situ experimental observation and automated machine learning to develop a more robust predictive model for defect formation in LPBF.

In-situ X-ray imaging↗