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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Verification of a Monte Carlo binary collision model for simulating elastic and inelastic collisions in particle-in-cell simulations

We present the development and verification of a Monte Carlo binary collision model for simulating elastic and inelastic collisions in particle-in-cell simulations. We apply the corrected binary collision model originally developed for charged-particles collisions to all considered scattering channels, including Coulomb collisions, elastic neutral–neutral and charged–neutral collisions, ionization, excitation, and fusion. The model's implementation is described and verified through a series of simulations, including charged- and neutral-particle thermal equilibration, slowing of electrons in warm solid-density aluminum, collisional damping of a Langmuir wave, helium gas breakdown in an applied electric field, and thermonuclear and beam–target fusion. Then, we demonstrate the model within simulations of hydrogen plasma formation in the Princeton Field-Reversed Configuration as well as of the burning of aneutronic fusion fuel p-11B. The latter includes measurement of the fusion power density in a low-density plasma and fusion production due to the stopping of a proton ignitor beam in a compressed boron target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Chaotic scattering of pitch angles in the current sheet of the magnetotail

The modified Harris field model is used to investigate the process of pitch angle scattering by a current sheet. The relationship between the incoming asymptotic pitch angle alpha(in) and the outgoing asymptotic pitch angle alpha(out) is studied from first principles by numerically integrating the equation of motion. Evidence that charged particles undergo chaotic scattering by the current sheet is found. For fixed alpha(in), it is shown that alpha(out) exhibits sensitive dependence on the energy parameter in certain energy ranges. For a fixed energy parameter value in the same energy ranges, alpha(out) sensitively depends on alpha(in). For other energy values, alpha(out) does not show sensitive dependence on alpha(in) for most phase angles. A distribution of alpha(in) is mapped from the asymptotic region to the midplane, and it is found that the resulting particle distribution should have beam structures with well-collimated pitch angles near each resonance energy value. Implications for the particle distribution functions in the earth's magnetotail are discussed.

Burkhart, G. R.↗
DOE OSTI2024

Measurement of nuclear effects in neutrino-argon interactions using generalized kinematic imbalance variables with the MicroBooNE detector

We present a set of new generalized kinematic imbalance variables that can be measured in neutrino scattering. These variables extend previous measurements of kinematic imbalance on the transverse plane and are more sensitive to modeling of nuclear effects. We demonstrate the enhanced power of these variables using simulation and then use the MicroBooNE detector to measure them for the first time. We report flux-integrated single- and double-differential measurements of charged-current muon neutrino scattering on argon using a topology with one muon and one proton in the final state as a function of these novel kinematic imbalance variables. These measurements allow us to demonstrate that the treatment of charged current quasielastic interactions in genie version 2 is inadequate to describe data. As a result, they reveal tensions with more modern generator predictions particularly in regions of phase space where final state interactions are important.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Inclusive and Inelastic Scattering in Neutrino-Nucleus Interactions

Neutrino-nucleus cross section measurements can provide both insights into nuclear physics and important data that can be used to improve model predictions used for neutrino oscillation physics. Two measurements of neutrino-nucleus cross sections were performed using data from the MINERvA experiment, each probing different classes of neutrino interactions. Double and single-differential flux-integrated measurements of inclusive charged current neutrino-nucleus cross sections at a peak neutrino energy of 3.5 GeV are presented as a function of the longitudinal and transverse momentum of the muon produced in the interaction. Additionally, an analysis of charged-current deep inelastic scattering (DIS) of muon neutrinos was performed in carbon, iron, lead and hydrocarbon in a neutrino beam with a peak energy of 6 GeV. Cross sections were measured in each material, and ratios were also taken between the cross sections of each of the materials and hydrocarbon, allowing for examination of nuclear dependencies of the neutrino cross section. Absolute DIS cross sections as a function of neutrino energy and flux integrated differential cross sections as a function of the Bjorken-x scaling variable were both measured.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Characterizing Ultrafast Intersystem Crossing Pathways in Molecular Pt Dimers Using Time-Resolved Wide-Angle X-ray Scattering

Vibronic coupling between transition metal charge transfer states is a potential mechanism for enhancing the intersystem crossing (ISC) rate. Vibronic coupling-driven ISC has been observed in Pt­(II) dimer complexes, where the trajectory across excited-state pathways is tuned by atomic displacements via Pt–Pt stretching vibrations. Time-resolved wide-angle X-ray scattering (TR-WAXS) was utilized to quantify the Pt–Pt contraction following metal–metal-to-ligand charge transfer (MMLCT) excitation in Pt dimers with different bridging ligands. Both complexes exhibit Pt–Pt bond formation with a decrease in Pt–Pt distance of ∼ 0.25 Å and coherent vibrational wavepackets (CVWPs) encoded in the Pt–Pt contraction of both dimers. However, the complexes exhibit different time-dependent evolution of their CVWPs. Analysis of interference patterns between different CVWPs is used to track the trajectory across the excited-state surfaces. Furthermore, this work demonstrates that the interference between CVWPs in ultrafast TR-WAXS encodes indirect information regarding electronic excited-states to reveal the Pt dimer bridge-dependent ISC mechanism.

Computational chemistry↗
DOE OSTI2024

Muon-Neutrino Charged-Current Cross Sections from MicroBooNE: First Simultaneous Measurements of Final States with and without Protons for Muon-Neutrino Scattering on Argon

A detailed understanding of muon neutrino charged-current interactions on argon is crucial to the study of neutrino oscillations in current and future experiments using liquid argon time projection chambers. To help fill this need, MicroBooNE has produced a comprehensive set of cross section measurements which simultaneously probe the leptonic and hadronic systems by dividing the inclusive channel into final states with and without protons. Data-driven model validation utilizing the conditional constraint formalism is employed to detect mismodeling that may bias the nominal flux averaged cross section results, which are extracted with the Wiener-SVD unfolding method. The results are compared to widely used event generator predictions revealing significant mismodeling of final states without protons, possibly due to insufficient treatment of final state interactions. These are first differential muon neutrino-argon cross section measurements made simultaneously for final states with and without protons and provide novel information that will help stimulate the improvement of event generator modeling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Quantitative Infrared-to-Terahertz Nanospectroscopy of Semiconductors

Semiconductor technology now employs few-nanometer features, necessitating tools probing electronic properties on the same length scale. While the concentration of free charge carriers is routinely measured, the scattering rate remains challenging to access at the nanoscale. Here, we present ultrabroadband (5–50 THz) synchrotron infrared nanospectroscopy as a quantitative metrology tool for semiconductors. This technique can determine both the charge carrier concentration and scattering rate with percent-level accuracy, and it is inherently capable of ∼10 nm spatial resolution. We study silicon with different doping levels and confirm the method’s accuracy by statistical analysis and comparison with established far-field infrared spectroscopy. Near-field measurements systematically reveal charge-carrier concentrations ∼30% lower than far-field values, consistent with increased surface sensitivity and surface depletion. Our work establishes synchrotron infrared nanospectroscopy as a precise tool for quantitative nanoscale semiconductor characterization and paves the way toward all-optical characterization of surface depletion effects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Absence of 3$a_0$ charge density wave order in the infinite-layer nickelate NdNiO 2

A hallmark of many unconventional superconductors is the presence of many-body interactions that give rise to broken-symmetry states intertwined with superconductivity. Recent resonant soft X-ray scattering experiments report commensurate 3a0 charge density wave order in infinite-layer nickelates, which has important implications regarding the universal interplay between charge order and superconductivity in both cuprates and nickelates. Here we present X-ray scattering and spectroscopy measurements on a series of NdNiO 2+x samples, which reveal that the signatures of charge density wave order are absent in fully reduced, single-phase NdNiO 2 . The 3a 0 superlattice peak instead originates from a partially reduced impurity phase where excess apical oxygens form ordered rows with three-unit-cell periodicity. The absence of any observable charge density wave order in NdNiO 2 highlights a crucial difference between the phase diagrams of cuprate and nickelate superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Development, Implementation, and Verification of Partially-Ionized Collisional Multifluid Plasma Models in Drekar

We consider the development of multifluid models for partially ionized multispecies plasmas. The models are composed of a standard set of five-moment fluid equations for each species plus a description of electromagnetics. The most general model considered utilizes a full set of fluid equations for each charge state of each atomic species, plus a set of fluid equations for electrons. The fluid equations are coupled through source terms describing electromagnetic coupling, ionization, recombination, charge exchange, and elastic scattering collisions in the low-density coronal limit. The form of each of these source terms is described in detail, and references for required rate coefficients are identified for a diverse range of atomic species. Initial efforts have been made to extend these models to incorporate some higher-density collisional effects, including ionization potential depression and three- body recombination. Some reductions of the general multifluid model are considered. First, a reduced multifluid model is derived which averages over all of the charge states (including neutrals) of each atomic species in the general multifluid model. The resulting model maintains full consistency with the general multifluid model from which it is derived by leveraging a quasi-steady-state collisional ionization equilibrium assumption to recover the ionization fractions required to make use of the general collision models. Further reductions are briefly considered to derive certain components of a single-fluid magnetohydrodynamics (MHD) model. In this case, a generalized Ohm's law is obtained, and the standard MHD resistivity is expressed in terms of the collisional models used in the general multifluid model. A number of numerical considerations required to obtain robust implementations of these multifluid models are discussed. First, an algebraic flux correction (AFC) stabilization approach for a continuous Galerkin finite element discretization of the multifluid system is described in which the characteristic speeds used in the stabilization of the fluid systems are synchronized across all species in the model. It is demonstrated that this synchronization is crucial in order to obtain a robust discretization of the multifluid system. Additionally, several different formulations are considered for describing the electromagnetics portion of the multifluid system using nodal continuous Galerkin finite element discretizations. The formulations considered include a parabolic divergence cleaning method and an implicit projection method for the traditional curl formulation of Maxwell's equations, a purely- hyperbolic potential-based formulation of Maxwell's equations, and a mixed hyperbolic-elliptic potential-based formulation of Maxwell's equations. Some advantages and disadvantages of each formulation are explored to compare solution robustness and the ease of use of each formulation. Numerical results are presented to demonstrate the accuracy and robustness of various components of our implementation. Analytic solutions for a spatially homogeneous damped plasma oscillation are derived in order to verify the implementation of the source terms for electromagnetic coupling and elastic collisions between fluid species. Ionization balance as a function of electron temperature is evaluated for several atomic species of interest by comparing to steady-state calculations using various sets of ionization and recombination rate coefficients. Several test problems in one and two spatial dimensions are used to demonstrate the accuracy and robustness of the discretization and stabilization approach for the fluid components of the multifluid system. This includes standard test problems for electrostatic and electromagnetic shock tubes in the two-fluid and ideal shock-MHD limits, a cylindrical diocotron instability, and the GEM challenge magnetic reconnection problem. A one-dimensional simplified prototype of an argon gas puff configuration as deployed on Sandia's Z-machine is used as a demonstration to exercise the full range of capabilities associated with the general multifluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Radiative Corrections to Neutron Beta Decay and (Anti)Neutrino-Nucleon Scattering from Low-Energy Effective Field Theory

Herein we study radiative corrections to neutron beta decay and low-energy (anti)neutrino-nucleon scattering within a top-down effective field theory approach. As it was recently shown, a few electromagnetic and electroweak low-energy coupling constants in heavy-baryon chiral perturbation theory are yet to be determined. Performing matching to the four-fermion effective field theory, we relate these low-energy constants to correlation functions of vector and axial-vector currents. Such relations allow us to explicitly clarify scheme dependence for radiative corrections to neutron decay and low-energy charged-current (anti)neutrino scattering, provide a robust prediction of leading in the electromagnetic coupling constant contributions, and achieve a clear separation between short-distance and long-distance contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Proton Dynamics Scenarios in the Integrable Optics Test Accelerator (IOTA) at Fermilab

The Integrable Optics Test Accelerator (IOTA) at Fermilab provides a versatile platform for studying the interplay of space-charge, impedance, and non-linear optics in high-intensity hadron beams within synchrotrons and storage rings. This report examines the parameters and dynamics of 2.5~MeV proton beam operations in two configurations of the bare IOTA lattice: one for demonstrating Non-linear Integrable Optics with the Danilov-Nagaitsev magnet, and the other for use with electron cooling. We offer order-of-magnitude estimates of the transverse emittance growth rate as a function of beam intensity, highlighting contributions from residual gas scattering, intra-beam scattering, and space-charge effects. Under nominal conditions, the beam lifetime is projected to be less than 7~minutes at low intensity with the current vacuum quality, and fewer than 100,000~turns at high intensity due to strong space-charge effects. The calculations presented here will guide strategies to mitigate emittance growth and inform future IOTA experiments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Multiple Charge Density Waves and Superconductivity Nucleation at Antiphase Domain Walls in the Nematic Pnictide Ba 1– x Sr x Ni 2 As 2

How superconductivity interacts with charge or nematic order is one of the great unresolved issues at the center of research in quantum materials. Ba 1– x Sr x Ni 2 As 2 (BSNA) is a charge ordered pnictide superconductor recently shown to exhibit a sixfold enhancement of superconductivity due to nematic fluctuations near a quantum phase transition (at $x_c$ = 0.7). The superconductivity is, however, anomalous, with the resistive transition for $0.4 < x < x_c$ occurring at a higher temperature than the specific heat anomaly. Here, using x-ray scattering, we discovered a new charge density wave (CDW) in BSNA in this composition range. The CDWis commensurate with a period of two lattice parameters, and is distinct from the two CDWs previously reported in this material. We argue that the anomalous transport behavior arises from heterogeneous superconductivity nucleating at antiphase domain walls in this CDW. We also present new data on the incommensurate CDW, previously identified as being unidirectional, showing that it is a rotationally symmetric “4$\textit{Q}$” state with $C_4$ symmetry. Our study establishes BSNA as a rare material containing three distinct CDWs, and an exciting test bed for studying coupling between CDW, nematic, and SC orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

PyCrystalField : software for calculation, analysis and fitting of crystal electric field Hamiltonians

PyCrystalField is a Python software package for calculating single-ion crystal electric field (CEF) Hamiltonians. This software can calculate a CEF Hamiltonian ab initio from a point charge model for any transition or rare earth ion in either the J basis or the LS basis, perform symmetry analysis to identify nonzero CEF parameters, calculate the energy spectrum and observables such as neutron spectrum and magnetization, and fit CEF Hamiltonians to any experimental data. Here, the theory, implementation and examples of its use are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sensitivity of future liquid argon dark matter search experiments to core-collapse supernova neutrinos

Future liquid-argon DarkSide-20k and Argo detectors, designed for direct dark matter search, will be sensitive also to core-collapse supernova neutrinos, via coherent elastic neutrino-nucleus scattering. This interaction channel is flavor-insensitive with a high-cross section, enabling for a high-statistics neutrino detection with target masses of ~50 t and ~360 t for DarkSide-20k and Argo respectively. Thanks to the low-energy threshold of ~0.5 keVnr achievable by exploiting the ionization channel, DarkSide-20k and Argo have the potential to discover supernova bursts throughout our galaxy and up to the Small Magellanic Cloud, respectively, assuming a 11-M progenitor star. In this work, we report also on the sensitivity to the neutronization burst, whose electron neutrino flux is suppressed by oscillations when detected via charged current and elastic scattering. Finally, the accuracies in the reconstruction of the average and total neutrino energy in the different phases of the supernova burst, as well as its time profile, are also discussed, taking into account the expected background and the detector response.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Sensitivity of future liquid argon dark matter search experiments to core-collapse supernova neutrinos

Future liquid-argon DarkSide-20k and ARGO detectors, designed for direct dark matter search, will be sensitive also to core-collapse supernova neutrinos, via coherent elastic neutrino-nucleus scattering. This interaction channel is flavor-insensitive with a high-cross section, enabling for a high-statistics neutrino detection with target masses of $\sim$50~t and $\sim$360~t for DarkSide-20k and ARGO, respectively. Thanks to the low-energy threshold of $\sim$0.5~keV$_{nr}$ achievable by exploiting the ionization channel, DarkSide-20k and ARGO have the potential to discover supernova bursts throughout our galaxy and up to the Small Magellanic Cloud, respectively, assuming a 11-M$_{\odot}$ progenitor star. We report also on the sensitivity to the neutronization burst, whose electron neutrino flux is suppressed by oscillations when detected via charged current and elastic scattering. Finally, the accuracies in the reconstruction of the average and total neutrino energy in the different phases of the supernova burst, as well as its time profile, are also discussed, taking into account the expected background and the detector response.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Polaritonic Probe of an Emergent 2D Dipole Interface

The use of work-function-mediated charge transfer has recently emerged as a reliable route toward nanoscale electrostatic control of individual atomic layers. Using α-RuCl 3 as a 2D electron acceptor, we are able to induce emergent nano-optical behavior in hexagonal boron nitride (hBN) that arises due to interlayer charge polarization. Using scattering-type scanning near-field optical microscopy (s-SNOM), we find that a thin layer of α-RuCl 3 adjacent to an hBN slab reduces the propagation length of hBN phonon polaritons (PhPs) in significant excess of what can be attributed to intrinsic optical losses. Concomitant nano-optical spectroscopy experiments reveal a novel resonance that aligns energetically with the region of excess PhP losses. These experimental observations are elucidated by first-principles density-functional theory and near-field model calculations, which show that the formation of a large interfacial dipole suppresses out-of-plane PhP propagation. Finally, our results demonstrate the potential utility of charge-transfer heterostructures for tailoring optoelectronic properties of 2D insulators.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Generalized three-dimensional experimental lightning code (G3DXL) user's manual

Information concerning the programming, maintenance and operation of the G3DXL computer program is presented and the theoretical basis for the code is described. The program computes time domain scattering fields and surface currents and charges induced by a driving function on and within a complex scattering object which may be perfectly conducting or a lossy dielectric. This is accomplished by modeling the object with cells within a three-dimensional, rectangular problem space, enforcing the appropriate boundary conditions and differencing Maxwell's equations in time. In the present version of the program, the driving function can be either the field radiated by a lightning strike or a direct lightning strike. The F-106 B aircraft is used as an example scattering object.

Kunz, Karl S.↗
DOE OSTI2025

Genesis and atomic structure of the charge density wave phase of 1T-VSe 2

Using variable temperature total x-ray scattering, we study the emergence of charge density wave (CDW) order in the archetypal transition-metal dichalcogenide (TMDC) 1⁢𝑇−VSe 2 . Here, we find that a CDW precursor phase (PF) appears at 𝑇 CDW⁡(PF) of 200(5) K, where V and Se atoms experience in- and out-of-plane static displacements from their position in the undistorted lattice, respectively. The displacements increase with decreasing temperature and a little-known superstructure of V triatomic clusters emerges below 𝑇 CDW⁡(3⁢D) of 100(5) K, where three-dimensional CDW order sets in. Concurrently, Se atoms form less well-defined dimers. Thus, similarly to other TMDCs, 1⁢𝑇−VSe 2 appears to exhibit a two-step CDW transition. The finding underlines the key contribution of lattice distortions to the emergence of CDW order in 1⁢𝑇−VSe 2 and generally in TMDCs.

36 MATERIALS SCIENCE↗