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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Stability optimization of energetic particle driven modes in nuclear fusion devices: the FAR3d gyro-fluid code

The development of reduced models provide efficient methods that can be used to perform short term experimental data analysis or narrow down the parametric range of more sophisticated numerical approaches. Reduced models are derived by simplifying the physics description with the goal of retaining only the essential ingredients required to reproduce the phenomena under study. This is the role of the gyro-fluid code FAR3d, dedicated to analyze the linear and nonlinear stability of Alfvén Eigenmodes (AE), Energetic Particle Modes (EPM) and magnetic-hydrodynamic modes as pressure gradient driven mode (PGDM) and current driven modes (CDM) in nuclear fusion devices. Such analysis is valuable for improving the plasma heating efficiency and confinement; this can enhance the overall device performance. The present review is dedicated to a description of the most important contributions of the FAR3d code in the field of energetic particles (EP) and AE/EPM stability. FAR3d is used to model and characterize the AE/EPM activity measured in fusion devices as LHD, JET, DIII-D, EAST, TJ-II and Heliotron J. In addition, the computational efficiency of FAR3d facilitates performing massive parametric studies leading to the identification of optimization trends with respect to the AE/EPM stability. This can aid in identifying operational regimes where AE/EPM activity is avoided or minimized. This technique is applied to the analysis of optimized configurations with respect to the thermal plasma parameters, magnetic field configuration, external actuators and the effect of multiple EP populations. In addition, the AE/EPM saturation phase is analyzed, taking into account both steady-state phases and bursting activity observed in LHD and DIII-D devices. The nonlinear calculations provide: the induced EP transport, the generation of zonal structures as well as the energy transfer towards the thermal plasma and between different toroidal/helical families. Finally, FAR3d is used to forecast the AE/EPM stability in operational scenarios of future devices as ITER, CFETR, JT60SA and CFQS as well as possible approaches to optimization with respect to variations in the most important plasma parameters.

Alfv én Eigenmodes↗
DOE OSTI2022

Effects of Coating on the Electrochemical Performance of a Nickel-Rich Cathode Active Material

Due to their safety and high power density, one of the most promising types of all-solid-state lithium batteries is the one made with the argyrodite solid electrolyte (ASE). Although substantial efforts have been made toward the commercialization of this battery, it is still challenged by some technical issues. One of these issues is to prevent the side reactions at the interface of the ASE and the cathode active material (CAM). A solution to address this issue is to coat the CAM particles with a material that is compatible with both ASE and CAM. Prior studies show that the lithium niobate, LiNbO 3 , (LNO) is a promising material for coating CAM particles to reduce the interfacial side reactions. However, no systematic study is available in the literature to show the effect of coating LNO on CAM performance. This paper aims to quantify the effect of LNO coating on the electrochemical performance of a nickel-rich CAM. The electrochemical performance parameters that are studied are the capacity, cycling performance, and rate performance of the coated-CAM; and the effectiveness of the coating to prevent the side reactions at the ASE and CAM interface is out of the scope of this study. To eliminate the effect of side reactions at the ASE and CAM interface, we conduct all tests in the organic liquid electrolyte (OLE) cells to solely present the effect of coating on the CAM performance. For this purpose, 0.5 wt.% and 1 wt.% LNO are used to coat the LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC-60) CAM through two synthesizing methods. Consequently, the effects of the synthesizing method and the coating weight percentage on the NMC-60 performance are presented.

10 SYNTHETIC FUELS↗
DOE OSTI2021

Radiation Belt Response to Fast Reverse Shock at Geosynchronous Orbit

Fast reverse shocks (FRSs) cause the magnetosphere to expand, by contrast to the well-known compressions caused by the impact of fast forward shocks (FFS). Usually, FFSs are more geoeffective than FRSs, and consequently the inner magnetosphere dynamic responses to both shock types can be quite different. In this study, we investigate for the first time the radiation belt response to an FRS impact using multi-satellite observations and numerical simulations. Spacecraft on the dayside observed decreases in magnetic field strength and energetic (~40–475 keV) particle fluxes. Timing analysis shows that the magnetic field signature propagated from the dayside to the nightside magnetosphere. Particles with different energies vary simultaneously at each spacecraft, implying a non-dispersive particle response to the shock. Spacecraft located at lower L-shells did not record any significant signatures. The observations indicate a local time dependence of the response associated with the shock inclination, with the clearest signatures being observed in the dusk–midnight sector. Simulations underestimate the amplitude of the magnetic field variations observed on the nightside. The observed decreases in the electron intensities result from a combination of radial gradient and adiabatic effects. The radial gradients in the spectral index appear to be the dominant contributor to the observed variations of electrons seen on the dayside (near noon and dusk) and on the nightside (near midnight). This work shows that even an FRS can affect the radiation belts significantly and provides an opportunity to understand their dynamic response to a sudden expansion of the magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Modelling Tritium Production and Release at High-Energy Proton Accelerators

Tritium is a well-known byproduct of particle accelerator operations. To keep levels of tritium below regulatory limits, tritium production is actively monitored and managed at Fermilab. We plan to study tritium production in the targets, beamline components, and shielding elements of the Fermilab facilities such as NuMI, BNB, and MI-65. To facilitate the analysis, we construct a simple model and use three Monte Carlo radiation codes, FLUKA, MARS, and PHITS, to estimate the amount of tritium produced in these facilities. The analysis could also serve as an intercomparison between these code results related to tritium production. To assess the actual amounts of tritium that would be released from various materials, we employ a semi-empirical diffusion model. The results of this analysis are compared to experimental data whenever possible. This approach also helps to optimize proposed target materials with respect to the tritium production and release.

Georgobiani, Dali [Fermilab]↗
DOE OSTI2021

Catalysts, catalyst supports and methods of making the same

The present disclosure relates to a composition that includes a core in the shape of a particle having a characteristic length between about one micron and about one millimeter, an active material that includes a noble metal deposited on a surface of the core, and a coating that includes a first metal-oxide, where the active material is positioned between the core and the coating, the active material has a diameter between about one nanometer and about 20 nanometers, and the coating has a thickness between greater than zero nanometers and about 20 nanometers.

Vardon, Derek Richard↗
DOE OSTI2022

Snowmass'21 Accelerator Frontier

The Particle Physics Community Planning Exercise (a.k.a. “Snowmass”) is the form of organization of regular, every 6 to 8 years, discussions among the entire particle physics community to develop a scientifc vision for the future of particle physics in the U.S. and its international partners. The Snowmass’21 Accelerator Frontier activities include discussions on high-energy hadron and lepton colliders, high-intensity beams for neutrino research and for the “Physics Beyond Colliders”, accelerator technologies, science, education and outreach as well as the progress of core accelerator technology, including RF, magnets, targets and sources.

Gourlay, Stephen Alan↗
DOE OSTI2020

Role of fast-ion transport manipulating safety factor profile in KSTAR early diverting discharges

Magnetohydrodynamics (MHD) activity is analyzed for a particular KSTAR discharge category, the main features of which are a high-$q_\mathrm{min}$ and a broad q profile. An interesting finding in this scenario is that a steady-state high-$q_\mathrm{min}$ and broad q profile has been constructed even without a strong off-axis current drive scheme. Time traces of magnetics spectrograms and electron cyclotron emission imaging (ECEI) clearly show that Alfvénic type MHD activity appears as a high-$q_\mathrm{min}$ and broad q profile is formed. Conversely, this activity disappears as the current profiles evolve toward a low-$q_\mathrm{min}$ profile. In this study, the effect of MHD modes and accompanying fast-particle transport on the formation of various current profiles is explored. The frequency patterns of the magnetics spectrograms and ECEI coherence are compared using a NOVA analysis to determine which series of Alfvénic modes are active. Then, the kick-model is applied to potential modes, and used to estimate how much fast-ions are transported and beam driven current profiles are varied. Here, by comparing the reconstructed total current profile from the kinetic EFIT with the beam-driven current profile estimated from the kick model, it is determined how energetic particle transport is responsible for maintaining the safety factor profile and which q profile can provide high β N operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Chaotic Dynamics Driven by Particle-Core Interactions

High-intensity beams in modern linacs are frequently encircled by diffuse halos, which drive sustained particle losses and result in gradual degradation of accelerating structures. In large part, the growth of halos is facilitated by internal space-charge forces within the beams, and detailed characterization of this process constitutes an active area of ongoing research. A partial understanding of dynamics that ensue within space-charge dominated beams is presented by the particle-core interaction paradigm – a mathematical model wherein single particle dynamics, subject to the collective potential of the core, are treated as a proxy for the broader behavior of the beam. In this work, we investigate the conditions for the onset of large-scale chaos within the framework of this model, and demonstrate that the propensity towards stochastic evolution is strongly dependent upon the charge distribution of the beam. In particular, we show that while particle motion within a uniformly charged beam is dominantly regular, rapid deterministic chaos readily arises within space-charge dominated Gaussian beams. Importantly, we find that for sufficiently high values of the beam’s space charge and beam pulsation amplitude, enhanced chaotic mixing between the core and the halo can lead to an enhanced radial diffusion of charged particles. We explain our results from analytic grounds by demonstrating that chaotic motion is driven by the intersection of two principal resonances of the system, and derive the relevant overlap conditions. Additionally, our analysis illuminates a close connection between the mathematical formulation of the particle-core interaction model and the Andoyer family of integrable Hamiltonians

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Theory of In-Cloud Activation of Aerosols and Microphysical Quasi-Equilibrium in a Deep Updraft

The microphysical quasi-equilibrium in an ascending adiabatic parcel is elucidated by an analytical theory in 0D with drastic simplifications. The theory predicts how in-cloud activation is most likely to be triggered by the onset of precipitation during sufficient ascent, with the ascent only needing to approach almost twice the cloud-base updraft speed aloft. The precipitation and cloud condensate mass fields are coupled in a closed system in a simplified version of the model. The initial state of no precipitation is unstable with respect to a perturbation. In the 2D phase space of both mass fields, there is a neutral line. Unstable growth of precipitation mass drives the system to cross the line into a regime of stability. An attractor is then approached consisting of precipitation mass balanced by accretion of cloud mass and fallout. The cloud-particle number concentration also approaches a stable equilibrium governed by the balance between in-cloud activation aloft from the inexorably increasing supersaturation during vertical acceleration and accretion of cloud droplets by precipitation. Dimensionless numbers characterizing the microphysical equilibria and their stability are derived mathematically, including a condensation–precipitation efficiency and an in-cloud activation efficiency. The theory explains common observations of the orders of magnitude of liquid water content in convective and stratiform clouds. Finally, sensitivity tests of the numerically integrated theoretical equations are documented with respect to variations in cloud condensation nucleus (CCN) aerosols and updraft speed. In conclusion, it is shown that this theory of in-cloud activation, with an increasing supersaturation during ascent, applies to both ice-only and liquid-only cloud.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Entanglement rearrangement in self-consistent nuclear structure calculations

Background: Entanglement plays a central role in a diverse array of increasingly important research areas, including quantum computation, simulation, measurement, sensing, and communication. Extensive suites of investigations have been performed to better understand entanglement in atomic and molecular quantum many-body systems, while the exploration of entanglement in the structure of nuclei and their reactions is presently in its infancy. Purpose: The goal of this work is to begin investigating the entanglement properties of nuclei from first-principles nuclear many-body calculations. We attempt to identify common features and emergent structures of entanglement that could ultimately lead to new and natural many-body schemes. With an eye toward quantum accelerators in future hybrid-supercomputers, criteria for partitioning nuclear many-body calculations into quantum and classical components may provide advantages in future large-scale computations. Along the way we look for explanations of the relative success of phenomenological models such as the nuclear shell model, and for better ways to match to low-energy nuclear effective field theories and lattice QCD calculations to nuclear many-body techniques that are based upon entanglement. Method: We explore the entanglement between single-particle states in 4 He and 6 He. The patterns of entanglement emerging from different single-particle bases are compared, and possible links with the convergence of observables are explored, in particular, ground-state energies. The nuclear wave functions are obtained by performing active-space no-core configuration-interaction calculations using a two-body nucleon-nucleon interaction derived from chiral effective field theory. Entanglement measures within single-particle bases exhibiting different degrees of complexity are determined, in particular, harmonic oscillator (HO), Hartree-Fock (HF), natural (NAT) and variational natural (VNAT) bases. Specifically, single-orbital entanglement entropy, two-orbital mutual information, and negativity are studied. Results: The entanglement structures in 4 He and 6 He are found to be more localized within NAT and VNAT bases than within a HO basis for the optimal HO parameters we have worked with. In particular a core-valence structure clearly emerges from the full no-core calculation of 6 He. Here, the two-nucleon mutual information shows that the VNAT basis, which typically exhibits good convergence properties, effectively decouples the active and inactive spaces. Conclusions: Measures of one- and two-nucleon entanglement are found to be useful in analyzing the structure of nuclear wave functions, in particular the efficacy of basis states, and may provide useful metrics toward developing more efficient schemes for ab initio computations of the structure and reactions of nuclei, and quantum many-body systems more generally.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The NASA ACTIVATE Mission

The NASA Aerosol Cloud Meteorology Interactions over the Western Atlantic Experiment (ACTIVATE) conducted 162 joint flights with two aircraft over the northwest Atlantic to study aerosol–cloud interactions (ACIs), which represent the largest uncertainty in estimating total anthropogenic radiative forcing. The combination of a high-flying King Air and low-flying HU-25 Falcon, equipped with remote sensing and in situ instruments, characterized trace gases, aerosol particles, clouds, and meteorological variables with data collected nearly simultaneously below, within, and above marine boundary layer (MBL) clouds. Flights spanning warm and cold seasons across 3 years (2020–22) provided a broad range of conditions associated with aerosol particles, cloud properties (including particle size and phase), and meteorology, ideally suited for robust ACI calculations and assessing how well models simulate a wide range of MBL clouds from stratiform to cumulus. ACTIVATE data suggest that drivers of cloud droplet number concentration N d , including aerosol particles and MBL dynamics, vary between winter and summer months with a stronger potential to convert aerosol particles into cloud droplets in winter. Models of varying complexity not only highlight some skills in simulating winter and summer cloud types but also identify challenges that still need to be addressed such as treatment of turbulence, wet scavenging, and mesoscale organization. Remote sensing advances range from new retrieval methods for N d , cloud phase classification, vertically resolved aerosol and cloud condensation nuclei number concentration, and ocean surface wind speed. This work describes these scientific and technological advances along with efforts in outreach and open data science.

aerosol indirect effect↗
DOE OSTI2021

Metal Organic Frameworks for Noble Gas Management in the Liquid Fluoride Thorium Reactor (LFTR) (CRADA 459)

The purpose of this project is to demonstrate the novel class of materials known as metal organic frameworks (MOFs) to capture Xe selectively from simulated LFTR off gas. This will establish the viability of designing a dramatically improved approach to noble gas management as compared to activated carbon. However, there are significant data gaps that need to be addressed in order to deploy this technology for LFTRs that include i) converting MOF powders into engineered forms to produce mechanically robust particles, ii) the radiation stability and associated mechanism of degradation (if any) upon irradiation of these sorbent materials and iii) demonstration and comparison to activated carbon of the noble gas separation from simulated LFTR gas stream.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Constraints on metastable superheavy dark matter coupled to sterile neutrinos with the Pierre Auger Observatory

Dark matter particles could be superheavy, provided their lifetime is much longer than the age of the Universe. Using the sensitivity of the Pierre Auger Observatory to ultrahigh energy neutrinos and photons, we constrain a specific extension of the Standard Model of particle physics that meets the lifetime requirement for a superheavy particle by coupling it to a sector of ultralight sterile neutrinos. Our results show that, for a typical dark coupling constant of 0.1, the mixing angle θ m between active and sterile neutrinos must satisfy, roughly, θ m ≲ 1.5 × 10 − 6 ( M X / 10 9 GeV ) − 2 for a mass M X of the dark-matter particle between 10 8 GeV and 10 11 GeV . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Midgap state requirements for optically active quantum defects

Abstract Optically active quantum defects play an important role in quantum sensing, computing and communication. The electronic structure and the single-particle energy levels of these quantum defects in the semiconducting host have been used to understand their optoelectronic properties. Optical excitations that are central for their initialization and readout are linked to transitions between occupied and unoccupied single-particle states. It is commonly assumed that only quantum defects introducing levels well within the band gap and far from the band edges are of interest for quantum technologies as they mimic an isolated atom embedded in the host. In this perspective, we contradict this common assumption and show that optically active defects with energy levels close to the band edges can display similar properties. We highlight quantum defects that are excited through transitions to or from a band-like level (bound exciton) such as the T center and Se S i + in silicon. We also present how defects such as the silicon split-vacancy in diamond can involve transitions between localized levels that are above the conduction band or below the valence band. Loosening the commonly assumed requirement on the electronic structure of quantum defects offers opportunities in quantum defects design and discovery especially in smaller band gap hosts such as silicon. We discuss the challenges in terms of operating temperature for photoluminescence or radiative lifetime in this regime. We also highlight how these alternative type of defects bring their own needs in terms of theoretical developments and fundamental understanding. This perspective clarifies the electronic structure requirement for quantum defects and will facilitate the identification and design of new color centers for quantum applications especially driven by first principles computations.

Xiong, Yihuang (ORCID:0000000178096047)↗
DOE OSTI2026

PARP1-HPF1 structure and dynamics on nicked DNA suggest a mechanism for acute and localized ADP-ribosylation

PARP1 detection of DNA strand breaks allosterically leads to PARP1 synthesis of poly(ADP-ribose) modifications that signal DNA damage. HPF1 engages activated PARP1 to control modification site selection. Understanding of the mechanism of DNA break detection and catalytic activation is incomplete, due largely to limited structural information for full-length PARP1. Here, single-particle cryo-EM provides views of the full complement of PARP1 domains engaging a DNA single-strand break in the presence of HPF1 and a fragment of binding partner Timeless. Cryo-EM, single-molecule DNA dynamics, and small-angle X-ray scattering analysis indicate that PARP1 remains dynamic even when the multi-domain structure is organized on a DNA break, with the minimal catalytic region displaying high mobility relative to domains engaging damage. We propose that the organization of PARP1 domains on a DNA break releases a tethered, constitutively active catalytic region to modify molecules in a radius surrounding the DNA break site.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Impact of microkinetic modeling assumptions on predicted kinetics and mechanisms over undercoordinated sites

Accurate modeling of catalytic reactions on undercoordinated sites requires accounting for the structural and ensemble-specific nature of the active sites. This study examines how common microkinetic modeling (MKM) assumptions affect predicted kinetics and mechanisms on the stepped Pt(211) facet for the ethane dehydrogenation (EDH) and the ethane hydrogenolysis (EH). Six (211) MKMs were developed, differing in (i) the number of active sites represented, (ii) adsorbate site occupancy treatment, and (iii) inclusion of cross-facet interactions. These models are benchmarked against a particle-based microkinetic model (PB-MKM), which best represents step-edge behavior. MKM assumptions caused deviations in turnover frequencies exceeding ten orders of magnitude and led to contrasting mechanistic and selectivity predictions. Multi-site MKMs overestimate activity by inflating free site availability, single-site models underestimate activity, and uniform occupancy models overpredict coverage of multi-dentate intermediates, leading to reaction-specific artifacts. Overall, the Combined Site Edge Model (CSEM), a single-site MKM accounting for site occupancy and cross-facet interactions, most closely approximates PB-MKM predictions. All models predict similar kinetics when surfaces are clean or primarily occupied by monodentate species. This work provides practical guidance for selecting MKM frameworks for undercoordinated catalytic surfaces and highlights the critical role of modeling assumptions in catalytic predictions.

(211) facet↗
DOE OSTI2024

Searching for millicharged particles with 1 kg of Skipper-CCDs using the NuMI beam at Fermilab

Oscura is a planned light-dark matter search experiment using Skipper-CCDs with a total active mass of 10 kg. As part of the detector development, the collaboration plans to build the Oscura Integration Test (OIT), an engineering test with 10% of the total mass. Here we discuss the early science opportunities with the OIT to search for millicharged particles (mCPs) using the NuMI beam at Fermilab. mCPs would be produced at low energies through photon-mediated processes from decays of scalar, pseudoscalar, and vector mesons, or direct Drell-Yan productions. Estimates show that the OIT would be a world-leading probe for mCPs in the ~MeV mass range.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗