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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 OSTI2026

Multiple Coulomb scattering for muon energy reconstruction in SBND Monte Carlo simulations

The Short Baseline Near Detector (SBND) is a liquid argon time projection chamber (LArTPC) located 110 meters downstream of the Booster Neutrino Beam target at Fermilab \cite{SBN}. The LArTPC is a detector technology with unprecedented position and calorimetric resolution for precise neutrino studies. The most dominant neutrino interaction topology in SBND is charged-current quasi-elastic muon neutrino-argon interactions, where the final state consists of a muon and a proton. Here, muons often travel long distances, sometimes exiting the detector before stopping. This loss of information creates a challenge for accurate energy estimation. There have been efforts in the MicroBooNE and ICARUS collaborations to improve energy estimation using a phenomenon known as Multiple Coulomb Scattering (MCS), which describes the jagged path taken by muons through a detector due to continuous Coulomb interactions with argon atoms. Building on these efforts, my project aims to improve an MCS-based approach to estimating the energies of exiting muons in SBND.

Puig, Xilonem Angeles [Mt. Holyoke Coll.; Fermilab↗
DOE OSTI2024

Dynamic Behavior of Spatially Confined Sn Clusters and Its Application in Highly Efficient Sodium Storage with High Initial Coulombic Efficiency

Advanced battery electrodes require a cautious design of microscale particles with built-in nanoscale features to exploit the advantages of both micro- and nano-particles relative to their performance attributes. Herein, the dynamic behavior of nanosized Sn clusters and their host pores in carbon nanofiber) during sodiation and desodiation is revealed using a state-of-the-art 3D electron microscopic reconstruction technique. For the first time, the anomalous expansion of Sn clusters after desodiation is observed owing to the aggregation of clusters/single atoms. Pore connectivity is retained despite the anomalous expansion, suggesting inhibition of solid electrolyte interface formation in the sub-2-nm pores. Taking advantage of the built-in nanoconfinement feature, the CNF film with nanometer-sized interconnected pores hosting Sn clusters (≈2 nm) enables high utilization (95% at a high rate of 1 A g –1 ) of Sn active sites while maintaining an improved initial Coulombic efficiency of 87%. Finally, the findings provide insights into electrochemical reactions in a confined space and a guiding principle in electrode design for battery applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Long‐Range Non‐Coulombic Coupling at the LaAlO 3 /SrTiO 3 Interface

The LaAlO 3 /SrTiO 3 interface hosts a plethora of gate‐tunable electronic phases. Gating of LaAlO 3 /SrTiO 3 interfaces is usually assumed to occur electrostatically. However, increasing evidence suggests that non‐local interactions can influence and, in some cases, dominate the coupling between applied gate voltages and electronic properties. Here, quasi‐1D ballistic electron waveguides are sketched at the LaAlO 3 /SrTiO 3 interface as a probe to understand how gate tunability varies as a function of spatial separation. Gate tunability measurements reveal the scaling law to be at odds with the pure electrostatic coupling observed in traditional semiconductor systems. The non‐Coulombic gating at the interface is attributed to a long‐range nanoelectromechanical coupling between the gate and electron waveguide, possibly mediated by the ferroelastic domains in SrTiO 3 . The long‐range interactions at the LaAlO 3 /SrTiO 3 interface add unexpected richness and complexity to this correlated electron system.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Cartesian-diffusion Langevin method for hybrid kinetic-fluid Coulomb scattering in particle-in-cell plasma simulations

A novel, drag-diffusion Langevin method of hybrid, kinetic-fluid Coulomb scattering in plasmas is presented. Unlike previous methods, the frictional drag is always applied in the simulation frame of reference. The velocity-space diffusion is performed in the stationary-fluid frame of reference when anisotropic, and in the laboratory frame when isotropic. While the general method is mass-ratio independent, we focus on interactions of kinetic-ions and fluid-electrons to show first-order modifications to the electron velocity distribution function that are an important correction for the accurate calculation of electric resistivity. Inclusion of sub-cycling and a limit to the maximum collision frequency is shown to allow for arbitrarily large timesteps without numerical failure. Here the Langevin method is compared with a grid-based binary method and found to require a much less restrictive timestep in cases of ion–electron slowing and temperature equilibration; this finding differs from previous work and is dependent on the mass ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Spontaneous sodium ion storage behaviors of reduced graphene oxide anodes exceeding 100% Coulombic efficiency by modulated ion solvation

Rechargeable batteries are essential energy storage devices that power portable devices and electrical vehicles throughout the world. In general, it is thought that the electrochemical performance of rechargeable batteries is mostly determined by the electrodes within them and that the electrolyte plays a relatively passive role. However, ion transport and storage can be greatly influenced by the electrolyte solution structure, specifically, ion solvation within the bulk and ion desolvation across the electrode/electrolyte interfaces. Herein, we studied the role of the electrolyte as an active component of electrochemical energy storage devices. We found that with an appropriate electrolyte formulation, ion storage in disordered carbonaceous anode materials can occur spontaneously without externally supplied electrical energy. Reduced graphene oxide (RGO) in an ether-based electrolyte demonstrates ‘spontaneous' ion storage behaviors of adsorbing and inserting the solvated ions utilizing facilitated permeability and wettability of RGO, which results in Coulombic efficiency of ~145% due to additional charging capacity of ~180 mAh g -1 during electrochemical processes. The unexpected spontaneous ion storage behavior was extensively investigated using a combination of electrochemical analyses and diagnostics, advanced characterizations, and computational simulation. In conclusion, we believe the spontaneous ion storage behavior offers a new way to further improve the energy efficiency of practical rechargeable batteries.

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

Multiple Coulomb scattering in acrylic of a 221.3 MeV therapeutic proton beam

Measurements of multiple Coulomb scattering (MCS) distributions for 221.3 MeV therapeutic protons are presented using a novel detector system comprised of a thin scintillator, a pellicle mirror, and a digital camera. The MCS distributions were characterized for three acrylic phantoms of varying lengths and for two biological density-equivalent phantoms simulating bone and muscle. Additionally, beam profiles were measured across an energy range of 80.3–221.3 MeV in 20 MeV increments. The observed energy dependence of the photon yields is consistent with the tabulated stopping power values. Finally, the experimental results are benchmarked against Geant4 simulations, demonstrating consistent agreement and validating the capability of the detector system for radiology measurements.

Digital camera↗
DOE OSTI2023

Understanding the Influence of Li 7 La 3 Zr 2 O 12 Nanofibers on Critical Current Density and Coulombic Efficiency in Composite Polymer Electrolytes

Composite polymer electrolytes (CPEs)are attractive materials for solid-state lithium metal batteries, owing to their high ionic conductivity from ceramic ionic conductors and flexibility from polymer components. As with all lithium metal batteries, however, CPEs face the challenge of dendrite formation and propagation. Not only does this lower the critical current density (CCD) before cell shorting, but the uncontrolled growth of lithium deposits may limit Coulombic efficiency (CE) by creating dead lithium. Here, we present a fundamental study on how the ceramic components of CPEs influence these characteristics. CPE membranes based on poly-(ethylene oxide) and lithium bis-(trifluoro methane sulfonyl)-imide(PEO-LiTFSI) with Li 7 La 3 Zr 2 O 12 (LLZO) nanofibers were fabricated with industrially relevant roll-to-roll manufacturing techniques. Galvanostatic cycling with lithium symmetric cells shows that the CCD can be tripled by including 50 wt % LLZO, but half-cell cycling reveals that this comes at the cost of CE. Varying the LLZO loading shows that even a small amount of LLZO drastically lowers the CE, from 88% at 0 wt % LLZO to 77% at just 2 wt % LLZO. Mesoscale modeling reveals that the increase in CCD cannot be explained by an increase in the macroscopic or microscopic stiffness of the electrolyte; only the microstructure of the LLZO nanofibers in the PEO-LiTFSI matrix slows dendrite growth by presenting physical barriers that the dendrites must push or grow around. This tortuous lithium growth mechanism around the LLZO is corroborated with mass spectrometry imaging. In conclusion, this work highlights important elements to consider in the design of CPEs for high-efficiency lithium metal batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Breakdown of the Static Dielectric Screening Approximation of Coulomb Interactions in Atomically Thin Semiconductors

Coulomb interactions in atomically thin materials are remarkably sensitive to variations in the dielectric screening of the environment, which can be used to control exotic quantum many-body phases and engineer exciton potential landscapes. For decades, static or frequency-independent approximations of the dielectric response, where increased dielectric screening is predicted to cause an energy redshift of the exciton resonance, have been sufficient. These approximations were first applied to quantum wells and were more recently extended with initial success to layered transition metal dichalcogenides (TMDs). Here, we use charge-tunable exciton resonances to investigate screening effects in TMD monolayers embedded in materials with low-frequency dielectric constants ranging from 4 to more than 1000, a range of 2 orders of magnitude larger than in previous studies. In contrast to the redshift predicted by static models, we observe a blueshift of the exciton resonance exceeding 30 meV in higher dielectric constant environments. We explain our observations by introducing a dynamical screening model based on a solution to the Bethe-Salpeter equation (BSE). When dynamical effects are strong, we find that the exciton binding energy remains mostly controlled by the low-frequency dielectric response, while the exciton self-energy is dominated by the high-frequency one. Our results supplant the understanding of screening in layered materials and their heterostructures, introduce a knob to tune selected many-body effects, and reshape the framework for detecting and controlling correlated quantum many-body states and designing optoelectronic and quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Plasma electron contribution to beam emittance growth from Coulomb collisions in plasma-based accelerators

Coulomb collisions with background plasma can cause emittance growth in plasma accelerators. This paper extends the theory to consider collisions with not only motionless plasma ions but also plasma electrons with relativistic motion, based on the Frankel cross section. The theory is verified by particle-in-cell simulations with a Monte Carlo collision module. Further, it is shown that the electron contribution has the same amount as that of ions in linear acceleration regime and may not be negligible in nonlinear regime depending on the plasma electron density and its relativistic bulk velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Density functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C 60

Inter-Coulombic decay (ICD) resonances in the photoionization of Cl@C 60 endofullerene molecule are calculated using a perturbative density functional theory (DFT) method. This is the first ICD study of an open shell atom in a fullerene cage. Here, three classes of resonances are probed: (i) Cl inner vacancies decaying through C 60 outer continua, (ii) C 60 inner vacancies decaying through Cl outer continua, and (iii) inner vacancies of either system decaying through the continua of Cl-C 60 hybrid levels, the hybrid Auger-ICD resonances. Comparisons with Ar@C 60 results reveal that the properties of hybrid Auger-ICD resonances are affected by the extent of level hybridization.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Coulomb excitation of 80 Sr and the limits of the 𝑁 ≈ 𝑍 ≈ 40 island of deformation

The region of 𝑁 ≈ 𝑍 ≈ 40 has long been associated with strongly deformed nuclear configurations. The presence of this strong deformation was recently confirmed through lifetime measurements in 𝑁 ≈ 𝑍 Sr and Zr nuclei. Theoretically, however, these nuclei present a challenge due to the vast valence space required to incorporate all necessary orbitals. Recent state-of-the-art predictions indicate a near axial prolate deformation for 𝑁 = 𝑍 and 𝑁 = 𝑍+2 nuclei between 𝑁 = 𝑍 = 36 and 𝑁 = 𝑍 = 40. In this work we investigate the shores of this island of deformation through a sub-barrier Coulomb excitation study of the 𝑁 = 𝑍+4 nucleus, 80 Sr . Extracting a spectroscopic quadrupole moment of 𝑄 𝑠 ⁡($2^+_1$)= $0.5^{+0.8}_{−0.9}$𝑒⁢b, we find that 80 Sr is inconsistent with significant axial prolate deformation with a significance of 1.5⁢𝜎. This result, albeit with a large uncertainty, indicates that the predicted region of strong prolate deformation around 𝑁 = 𝑍 = 40 is tightly constrained to the quartet of nuclei: 76,78 Sr and 78,80 Zr .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗