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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A hybrid-kinetic simulation tool for non-thermal warm x-ray z-pinch sources, with gas-puff and wire array exemplars

Increasing the fluence of z-pinch x-ray radiation sources above ∼ 10 keV has been a long-standing goal for scientists at Sandia National Laboratories’ Z Machine. Optimizing sources for non-thermal “cold Kα” emission in higher atomic-number materials appears to be a promising path to increase warm x-ray yield. However, this emission is generated by supra-thermal electrons, which are not treated in the magnetohydrodynamic (MHD) codes that are typically used in z-pinch source development. MHD codes do not allow for charge separation or space-charge-generated electric fields, and constrain particle kinematics to Maxwellian distributions. The kinetic codes which do accommodate discrete, non-thermal energy distributions are computationally prohibitive when modeling plasmas near solid density and when modeling/tracking higher ionization states. Thus, modeling non-thermal z-pinch sources requires a new simulation tool. In this report, we present a new hybrid modeling capability that uses the fast features of MHD-type particles to the greatest extent possible, then transitions to the slower but more complete kinetic particle treatment to correctly capture the particle energy spectra that generate non-thermal emission. This capability is founded on the fully-relativistic particle-in-cell code Chicago, which already includes fluid particle treatments. The governing equations and hybrid methodology presented here are applied in simulations of an argon gas-puff and a molybdenum wire-array to provide preliminary code validation. The argon simulation is compared to measured implosion times and yields from Jones et al., Phys. Plasmas 22, 020706 (2015). The simulated x-ray yield is within 25% of measurements and the implosion times agree within a few percent. The molybdenum wire array simulation captures the implosion timing reported in Hansen et al., Phys. Plasmas 21, 031202 (2014), but work is needed to verify the available EOS table. These exemplar simulations represents the type of non-thermal sources that will be developed using the hybrid code capability going forward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Molecular beam scattering from flat jets of liquid dodecane and water

Abstract Molecular beam experiments in which gas molecules are scattered from liquids provide detailed, microscopic perspectives on the gas–liquid interface. Extending these methods to volatile liquids while maintaining the ability to measure product energy and angular distributions presents a significant challenge. The incorporation of flat liquid jets into molecular beam scattering experiments in our laboratory has allowed us to demonstrate their utility in uncovering dynamics in this complex chemical environment. Here, we summarize recent work on the evaporation and scattering of Ne, CD 4 , ND 3 , and D 2 O from a dodecane flat liquid jet and present first results on the evaporation and scattering of Ar from a cold salty water jet. In the evaporation experiments, Maxwell–Boltzmann flux distributions with a cos θ angular distribution are observed. Scattering experiments reveal both impulsive scattering (IS) and trapping followed by thermal desorption (TD). Super‐specular scattering is observed for all four species scattered from dodecane and is attributed to anisotropic momentum transfer to the liquid surface. In the IS channel, rotational excitation of the polyatomic scatterers is a significant energy sink, and these species accommodate more readily on the dodecane surface compared to Ne. Our preliminary results on cold salty water jets suggest that Ar atoms undergo some vapor‐phase collisions when evaporating from the liquid surface. Initial scattering experiments characterize the mechanisms of Ar interacting with an aqueous jet, allowing for comparison to dodecane systems. Key Points Molecular beam scattering from flat liquid jets is a powerful technique to elucidate mechanistic detail at the gas–liquid interface. Previous dodecane scattering experiments have uncovered angularly‐resolved thermal desorption fractions and energy transfer at the interface for several small molecule scatterers. Preliminary results on scattering from cold salty water reveal mechanisms of interaction between argon and an aqueous jet.

Yang, Walt↗
DOE OSTI2024

Dissipative Dark Substructure: The Consequences of Atomic Dark Matter on Milky Way Analog Subhalos

Using cosmological hydrodynamical zoom-in simulations, we explore the properties of subhalos in Milky Way analogs that contain a subcomponent of atomic dark matter (ADM). ADM differs from cold dark matter (CDM) due to the presence of self-interactions that lead to energy dissipation, analogous to standard model baryons. This model can arise in dark sectors that are natural and theoretically motivated extensions to the standard model. The simulations used in this work were carried out using GIZMO and utilize the FIRE-2 galaxy formation physics in the standard model baryonic sector. For the parameter points we consider, the ADM gas cools efficiently, allowing it to collapse to the center of subhalos. This increases a subhalo's central density and affects its orbit, with more subhalos surviving small pericentric passages. The subset of subhalos that host satellite galaxies have cuspier density profiles and smaller stellar half-mass radii relative to CDM. The entire population of dwarf galaxies produced in the ADM simulations is more compact than those seen in CDM simulations, unable to reproduce the entire diversity of observed dwarf galaxy structures. Additionally, we also identify a population of highly compact subhalos that consist nearly entirely of ADM and form in the central region of the host, where they can leave distinctive imprints in the baryonic disk. This work presents the first detailed exploration of subhalo properties in a strongly dissipative dark matter scenario, providing intuition for how other regions of ADM parameter space, as well as other dark sector models, would impact galactic-scale observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Non-adiabatic quantum interference and complex formation in ultracold collisions of Rb with KRb

Ultracold elastic collisions of 87 Rb with 40 K 87 Rb in its ground vibrational and rotational state are investigated using a first principles based theoretical methodology. Full-dimensional ab initio computed potential energy surfaces are reported that include the two lowest-lying electronic states, their conical intersection, non-adiabatic couplings and an accurate long-range behavior. A numerically exact time-independent quantum dynamics method in hyperspherical coordinates is used to compute the elastic scattering cross sections, rate coefficients and collision lifetime spectrum. The quantum scattering calculations include all degrees of freedom and treat both electronic states and their non-adiabatic couplings using a two-state diabatic representation. The theoretically computed elastic rate coefficient is in good agreement with the recently reported experimental value. Significant non-adiabatic quantum interference effects are shown to originate from the unique properties of ultracold collisions and the geometric phase associated with the conical intersection. A high-resolution collision energy grid is used to investigate the origin of the experimentally reported long-lived 3-body collision complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Finite-Temperature Quantum Matter with Rydberg or Molecule Synthetic Dimensions

Synthetic-dimension platforms offer unique pathways for engineering quantum matter. We compute the phase diagram of a many-body system of ultracold atoms (or polar molecules) with a set of Rydberg states (or rotational states) as a synthetic dimension, where the particles are arranged in real space in optical microtrap arrays and interact via dipole-dipole exchange interaction. Using mean-field theory, we find three ordered phases—two are localized in the synthetic dimension, predicted as zero-temperature ground states, and one is a delocalized phase. We characterize them by identifying the spontaneously broken discrete symmetries of the Hamiltonian. We also compute the phase diagram as a function of temperature and interaction strength for both signs of the interaction. For system sizes with more than six synthetic sites and attractive interactions, we find that the thermal phase transitions can be first or second order, which leads to a tricritical point on the phase boundary. Furthermore, by examining the dependence of the tricritical point and other special points of the phase boundary on the synthetic dimension size, we shed light on the physics for thermodynamically large synthetic dimension.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training) v1

SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training) is a comprehensive data visualization and analysis application focused on working with COLTRIMS (COLd Target Recoil Ion Momentum Spectroscopy) data, which is used in atomic and molecular physics experiments. The application offers several powerful features: - Data uploading and processing capabilities for COLTRIMS files - Multiple visualization methods using UMAP (Uniform Manifold Approximation and Projection) for dimensionality reduction - Interactive selection of data points across multiple views - Feature engineering through various methods: - Manual feature selection from calculated physics parameters - Deep autoencoder for dimension reduction - Genetic programming for discovering meaningful features - Mutual information-based feature selection - Multiple clustering approaches (DBSCAN, KMeans, Agglomerative) - Quality metrics for evaluating clustering results - Export capabilities for selections and generated features

Daoud, Hazem [Lawrence Berkeley National Laborator↗
DOE OSTI2024

Interaction Effects on the Dynamical Anderson Metal-Insulator Transition Using Kicked Quantum Gases

Understanding the interplay of interaction and disorder in quantum transport poses long-standing scientific challenges for theory and experiment. While highly controlled ultracold atomic platforms combining atomic interactions with spatially disordered lattices have led to remarkable advances, the extension of such controlled studies to phenomena in high-dimensional disordered systems, such as the three-dimensional Anderson metal-insulator transition has been limited. Kicked quantum gases provide an alternate experimental platform that captures the Anderson model in momentum space and features dynamical localization as the analog of Anderson localization. Here, we utilize a momentum space lattice platform using quasiperiodically kicked ultracold atomic gases to experimentally investigate interaction effects on the three-dimensional dynamical Anderson metal-insulator transition. Here, we observe interaction-driven subdiffusion and a divergence of delocalization onset time on approaching the phase boundary. Mean-field numerical simulations show qualitative agreement with experimental observations, but with significant quantitative deviations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Spin Squeezing with Itinerant Magnetic Dipoles

Entanglement can improve the measurement precision of quantum sensors beyond the shot noise limit. Neutral atoms, the basis of some of the most precise and accurate optical clocks and interferometers, do not naturally exhibit the all-to-all interactions traditionally used to generate such entangled states. On the other hand, these systems exhibit exceedingly high degrees of experimental control over parameters such as temperature, spatial entropy, and itinerancy. In this work, we investigate spin squeezing in a highly coherent itinerant system of neutral atoms with magnetic dipole-dipole interactions. We achieve 7.1 dB of metrologically useful squeezing using finite-range spin-exchange interactions in an erbium quantum gas microscope, and we demonstrate that introducing atomic motion, realizing a dipolar 𝑡−𝐽 model, protects the spin sector coherence at low fillings, significantly improving the achievable spin squeezing in a 2D dipolar system. This work’s protocol can be implemented with most neutral atoms, opening the door to quantum-enhanced metrology in other itinerant dipolar systems, such as molecules or optical lattice clocks, and serves as a novel method for studying itinerant quantum magnetism with long-range interactions.

Atomic, optical & lattice clocks↗
DOE OSTI2025

Impacts of sea ice leads on sea salt aerosols and atmospheric chemistry in the Arctic

Abstract. The processes contributing to Arctic cold-season (November–April) sea salt aerosols (SSAs) remain uncertain. Observations from coastal Alaska suggest that emissions from open leads in sea ice, which are not included in climate models, may play a dominant role. Their Arctic-wide significance has not yet been quantified. Here, we create an emission parameterization of SSAs from leads by combining satellite data of lead area (the Advanced Microwave Scanning Radiometer–Earth Observation System (AMSR-E) product) and a chemical transport model (GEOS-Chem) to quantify pan-Arctic SSA emissions from leads during the cold season from 2002 to 2008 and to predict their impacts on atmospheric chemistry, evaluating the results of our simulated SSAs against in situ observations. The AMSR-E product detects large leads with certainty (> 3 km in size), and, hence, our study is limited to quantifying emissions from large leads. Lead emissions vary seasonally and interannually. Simulated total monthly SSA emissions increase by 1.1 %–1.8 % (≥60° N latitude) and 5.6 %–7.5 % (≥75° N) for the 2002–2008 cold seasons. SSA concentrations primarily increase at the location of leads, where standard model concentrations are low. GEOS-Chem overestimates SSA concentrations at Arctic sites compared to ground observations, even when lead emissions are not included, suggesting underestimation of SSA sinks and/or uncertainties in SSA emissions from blowing snow and the open ocean. Multi-year monthly mean surface bromine atom (Br) concentrations increase by 2.8 %–8.8 % due to SSAs from leads for the 2002–2008 cold seasons. Changes in ozone concentrations are negligible. While leads contribute < 10 % to Arctic-wide SSA emissions in the years 2002–2008, these emissions occur in regions of low background aerosol concentrations. Leads may increase in frequency under future climate change, which could increase SSA emissions from leads.

Emme, Erin J. (ORCID:0000000268406352)↗
DOE OSTI2024

A New Inelastic Neutron Spectrometer HODACA

In this study, a new multiplex-type inelastic neutron scattering spectrometer, HOrizontally Defocusing Analyzer Concurrent data Acquisition spectrometer (HODACA), was recently developed and built at the C1-1 cold neutron beam port in the neutron source reactor JRR-3 at Japan Atomic Energy Agency. The spectrometer is suitable for dynamics measurements in the energy range of -1 meV ≲ ℏω ≲ 7 meV, catering to a broad array of research fields in physics and material science. HODACA combines 24 detectors and 132 pieces of analyzer crystals and has an estimated measurement efficiency that is 70 times greater than the existing conventional triple-axis spectrometer at the C1-1 beam port. The concept, design, specification, and results of commissioning experiments are described.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Multi-device analysis of energy loss duration and pellet penetration with implications for shattered pellet injection in ITER

A robust disruption mitigation system (DMS) requires accurate characterization of key disruption timescales, one of the most notable being the thermal quench (TQ). Recent modeling of shattered pellet injection (SPI) into ITER plasmas, using JOREK and INDEX, suggests long TQ durations (6–10 ms) and slow cold front propagation due to the large plasma size. If validated, these predictions would have an impact on the desired pellet parameters and mitigation strategies for the ITER DMS. To resolve these questions, a database of SPI experiments from several small-to-large sized devices (J-TEXT, KSTAR, AUG, DIII-D, and JET) has been compiled under the auspices of the International Tokamak Physics Activity MHD, disruptions, and control topical group. Analysis of the energy loss duration (proxy for the TQ duration) with machine size is presented for both mixed neon/deuterium (Ne/D) SPI and pure deuterium (D) SPI. Several metrics for the energy loss onset (e.g. soft x-ray signal drop, I p dip, and radiation flash) were considered as the conventional metric, electron cyclotron emission, is often cut-off during SPI. Several scalings with different onset metrics showed an increase in energy loss duration with machine size. The energy loss duration was additionally shown to be a function of the ratio between the number of SPI neon atoms injected and the stored energy. Analysis of the pellet shard position relative to the cold front found that in larger devices, pellets are typically found inboard of the q = 2 surface at the energy loss onset. Lastly, the delay between the pellet shards hitting the q = 2 surface and the energy loss onset was additionally found to increase with machine size. This suggests that the pellet shards in large devices will penetrate faster and further than the cooling front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Aggressively Dissipative Dark Dwarfs: The Effects of Atomic Dark Matter on the Inner Densities of Isolated Dwarf Galaxies

We present the first suite of cosmological hydrodynamical zoom-in simulations of isolated dwarf galaxies for a dark sector that consists of cold dark matter and a strongly dissipative subcomponent. The simulations are implemented in GIZMO and include standard baryons following the FIRE-2 galaxy formation physics model. The dissipative dark matter is modeled as atomic dark matter (aDM), which forms a dark hydrogen gas that cools in direct analogy to the Standard Model. Our suite includes seven different simulations of ∼10 10 M ⊙ systems that vary over the aDM microphysics and the dwarf’s evolutionary history. We identify a region of aDM parameter space where the cooling rate is aggressive and the resulting halo density profile is universal. In this regime, the aDM gas cools rapidly at high redshifts, and only a small fraction survives in the form of a central dark gas disk; the majority collapses centrally into collisionless dark “clumps,” which are clusters of subresolution dark compact objects. These dark clumps rapidly equilibrate in the inner galaxy, resulting in an approximately isothermal distribution that can be modeled with a simple fitting function. Even when only a small fraction (∼5%) of the total dark matter is strongly dissipative, the central densities of classical dwarf galaxies can be enhanced by over an order of magnitude, providing a sharp prediction for observations.

cold dark matter↗
DOE OSTI2025

Collisional Excitation of HCN by CO to Refine the Modeling of Cometary Comae

Here, we present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5–50 K. It includes both state-to-state rate coefficients involving the lowest ten and nine rotational levels of HCN and CO, respectively, and the so-called “thermalized” rate coefficients over the rotational population of CO at each kinetic temperature. The derivation of these coefficients exploited the good performance of the statistical adiabatic channel model (SACM) on top of an accurate interaction potential computed at the CCSD(T)-F12b/CBS level of theory. The reliability of the SACM approach was validated by comparison with full quantum calculations restricted at the lowest total angular momentum of the system. These results provide essential input to accurately model the distribution among the rotational energy levels and the abundance of HCN in cometary atmospheres, accounting for deviations from local thermodynamic equilibrium that typically occurs in such environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Detecting rare neutral atomic-carbon absorbers with a deep neural network

ABSTRACT C i absorbers play an important role as indicators for exploring the presence of cold gas in the interstellar medium of galaxies. However, the current data base of C i absorbers is very limited due to their weak absorption feature and rarity. Here, we report results from a search of C i λλ1560, 1656 absorption lines using Mg ii absorbers as signposts with modified deep learning algorithms, which provides a very quick way to search for weak C i absorber candidates. A total of 107 C i absorbers were detected, which nearly doubles the size of previously known samples. In addition, we found 17 C i absorbers to be associated with 2175 Å dust absorbers (2DAs), i.e. about 16 per cent C i absorbers are associated with 2DAs. Comparing the average dust depletion patterns of C i absorbers with those of damped Lyman α absorbers (DLAs), Mg ii absorbers, Ca ii absorbers, and 2175 Å dust absorbers (2DAs) shows that C i absorbers generally have environments with more dust than DLAs, Mg ii, and Ca ii absorbers, but similar to dust in 2DAs. Similarity between the dust depletion pattern of C i absorbers to that of the warm disc in the Milky Way indicates that C i absorption clouds are possibly associated with disc components in distant galaxies. Therefore, C i absorbers are confirmed to be excellent probes to trace cold gas and dust in the Universe.

Ge, Jian↗
DOE OSTI2026

Westcott g factors extended to arbitrary neutron energy spectra

Westcott 𝑔 factors are used in Neutron Activation Analysis (NAA) and Prompt Gamma-ray Activation Analysis (PGAA) to evaluate the impact of non-1∕𝑣 behavior in the neutron-capture cross sections of certain nuclei on activation product yields. This non-1∕𝑣 behavior arises from the presence of neutron resonances in the neutron- capture cross sections that overlap with the source neutron spectrum at low (< 5 eV) energies. Historically, Westcott 𝑔 factors that have been cataloged for NAA and PGAA applications are the result of calculations that assume a Maxwellian neutron flux distribution with a given temperature. In this work, we use this approach with updated neutron-capture cross sections from the Evaluated Nuclear Data File, version VIII.1 (ENDF/B-VIII.1) to tabulate Westcott 𝑔 factor values for a broad range of Maxwellian distribution temperatures, comparing the results against currently-available 𝑔 factors from International Atomic Energy Agency tables and other sources. Here, it was discovered during this analysis that the use of guided thermal and cold-neutron beams at certain facilities necessitates an approach for evaluating Westcott 𝑔 factors based on arbitrary non-Maxwellian spectra. In this paper, we present an approach for calculating 𝑔 factors with user-specified neutron spectra, and we demonstrate these methods to obtain Westcott 𝑔-factors for guided- and cold-neutron beams at the Budapest Research Reactor and the Forschungsreaktor München II reactor. As part of this work, open-source software has been developed that can be used to perform these calculations for applications in PGAA and NAA experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Modeling the effect of MHD activity on runaway electron generation during SPARC disruptions

Magnetohydrodynamic (MHD) instabilities and runaway electrons (REs) interact in several ways, making it important to self-consistently model these interactions for accurate predictions of RE generation and the design of mitigation strategies, such as massive gas injection (MGI). Using M3D-C1 – an extended MHD code with a RE fluid model – we investigate the effects of 3-D nonlinear MHD activity, material injection, and 2-D axisymmetric vertical displacement events (VDEs) on RE evolution during disruptions on SPARC – a high-field, high-current tokamak designed to achieve a fusion gain Q > 1. Several cases, comprising different combinations of neon (Ne) and deuterium (D 2 ) injection, are considered. Here, our results demonstrate key effects that arise from the self-consistent RE + MHD coupling, such as an initial increase in RE generation due to MHD instability growth, decreased saturation energies of the m/n = 1/1 mode driving sawteeth-like activity, RE losses in stochastic magnetic fields, and subsequent RE confinement and plateau formation due to re-healing of flux surfaces. Large RE plateaus (>5 MA) are obtained with Ne-only injection (2-5 × 10 21 atoms), while combined D 2 + Ne injection (2 × 10 21 Ne atoms; 1.8 × 10 22 D 2 molecules) produces a lower RE current (<2 MA). With D 2 + Ne injection, a post thermal quench "cold" VDE terminates the RE beam, preventing a steady plateau. These simulations couple REs, 3-D MHD instabilities, MGI, and axisymmetric VDEs for the first time in SPARC disruption simulations and represent a crucial step in understanding RE generation and mitigation in high-current devices like SPARC.

Datta, Rishabh [Massachusetts Inst. of Technology ↗
DOE OSTI2026

Design of a shipping fixture for a compact cryomodule hermetic assembly

In support of the development of a conduction-cooled 915MHz superconducting radio frequency (SRF) cryomodule, this study highlights the design of a shipping fixture for transporting the hermetic assembly 4500 km from Jefferson Lab to General Atomics in San Diego, California. The hermetic assembly consists of a 2-cell 915 MHz SRF cavity, a coaxial fundamental power coupler and warm-to-cold transition beam tubes. The two-part shipping assembly consists of an inner frame, providing direct mounting of the components, and an outer frame mounted to the ground transport vehicle. The inner frame is then connected to the outer frame by way of wire-rope isolators. Accelerometer data from ground transportation of previous projects at Jefferson Lab provides the baseline for the expected frequency and magnitude of vibrational and shock events during transit. Modal analyses were carried out in ANSYS on the inner frame assembly and critical components to identify an appropriate wire-rope isolator configuration such that peak loads are mitigated and the incurred frequencies do not correspond with the fundamental modes of the structures.

Accelerator Physics↗
DOE OSTI2025

Facet-Dependent Cold Welding of Au Nanorods Revealed by Liquid Cell Transmission Electron Microscopy

Cold welding of metals at the nanoscale has been demonstrated to play a significant role in bottom-up manufacturing and self-healing processes of nanostructures and nanodevices. However, the welding mechanism at the nanoscale is not well understood. In this study, a comprehensive demonstration of the cold welding process of gold nanorods with different modes is presented through in situ liquid cell transmission electron microscopy. The experimental results and molecular dynamics simulations reveal that the nanorods are welded through the facet-dependent atomic surface diffusion and rearrangement along {100} facets. The density functional theory calculations indicate that the preferred coalescence of two {100} surfaces is thermodynamically favorable. Unlike the prevalent “oriented attachment” in the nanoparticle coalescence, the misalignment of nanorod orientations and local stresses can induce grain boundaries and stacking faults in the welded interface.

42 ENGINEERING↗