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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Characterization of dynamics and decay in the St. Benedict Paul trap

The St. Benedict experiment includes a linear Paul trap designed to measure the beta-neutrino angular correlation coefficient 𝑎 𝛽ν of mixed superallowed 𝛽-decay transitions between mirror nuclei via coincidence detection of 𝛽-particles and recoiling ions. The emitted 𝛽 particle and daughter ion are detected with plastic scintillators and micro-channel plate detectors, respectively, allowing for accurate measurements of their time-of-flights. From the shape of the coincidence time-of-flight distribution, a value of 𝑎 𝛽ν can be determined. This manuscript presents detailed simulations of the St. Benedict Paul trap, with a focus on ion cloud dynamics and recoiling daughter trajectories.

Linear Paul trap↗
DOE OSTI2025

Nonlinear evolution, propagation, electron-trapping, and damping effects of ion-acoustic solitons using fully kinetic PIC simulations

We investigate ion acoustic solitary waves (solitons) of varying amplitudes in a one-dimensional plasma using fully kinetic particle-in-cell simulations. The initial soliton conditions are based on the Korteweg–de Vries (KdV) equation, treating ions as a cold species and electrons with finite temperature. Our findings reveal that KdV solitons evolve nonlinearly to a saturated state at higher amplitude, deviating from KdV predictions for ion density and electric potential, and from the Boltzmann relation for electron density. At this saturated state, the KdV model cannot accurately describe the soliton behavior. For small amplitudes, Sagdeev's model describes the saturated state, but not the soliton width; for larger amplitudes, it models the width accurately, but not the amplitude. These discrepancies arise from assuming a Boltzmann relation for electron density, while electron trapping creates non-Boltzmann densities—a deviation that increases with soliton amplitude. Additionally, we observe that the soliton amplitude oscillates roughly at the electron bounce frequency. The soliton is better described by Schamel's electron density formulation and a modified KdV equation incorporating electron trapping. The soliton velocity matches best with predictions from Sagdeev's and Schamel's models. Moreover, the soliton speed–amplitude relationship differs from existing theoretical predictions. Finally, we find minimal ion and electron Landau damping effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Observation and characterisation of trapped electron modes in Wendelstein 7-X

In the past, quasi coherent (QC) modes were reported for nearly all tokamaks. The general definition describes modes as QC when the magnitude squared coherence is in the range of 0.3 to 0.6. QC modes are observed in the plasma core as well as in the plasma edge and can have quite different physical origins. The one in the core are observed in plasmas with low collisionality, where the electron temperature exceeds the ion temperature in the plasma core. This is the case for electron cyclotron heating in general. The origin of these modes are electrons trapped within a magnetic mirror, as reported in the past from various fusion devices. The so-called trapped-electron modes (TEMs) belong to drift wave instabilities and can be destabilized by electron-temperature gradients in the plasma core. From the diagnostic point of view, QC modes appear as fluctuations in electron density and temperature. Therefore, the microwave reflectometer is very well suited to monitor these modes. This paper describes experiments, conducted at the Wendelstein 7-X stellarator (W7-X), which aim at detecting QC modes at low wave numbers. A poloidal correlation reflectometer installed at W7-X, is able to measure low wave numbers ($k_\perp\unicode{x2A7D}{3.5}\,\textrm{cm}^{-1}$). For medium line-averaged densities ($\int n_\textrm{e}\unicode{x2A7D}{6 \times10^{19}}\,\textrm{m}^{-2}$) the plasma core is accessible for this diagnostic. For different magnetic configurations and plasma parameters, broad QC structures are observed in the coherence spectra. From the analysis of the rotation and the poloidal structure, these QC modes show the properties of electron-temperature-gradient driven TEMs. A linear relation between the mode velocity and the rotation frequency is found. The relation is uniform and confirms the nature of QC-mode observation as TEM in tokamaks, too.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Electroweak Nuclear Properties from Single Molecular Ions in a Penning Trap

Here, we present a novel technique to probe electroweak nuclear properties by measuring parity violation (PV) in single molecular ions in a Penning trap. The trap’s strong magnetic field Zeeman shifts opposite-parity rotational and hyperfine molecular states into near degeneracy. The weak interaction-induced mixing between these degenerate states can be larger than in atoms by more than 12 orders of magnitude, thereby vastly amplifying PV effects. The single molecule sensitivity would be suitable for applications to nuclei across the nuclear chart, including rare and unstable nuclei.

electronic structure of atoms & molecules↗
DOE OSTI2024

A Techno-Economic Analysis of a 50MWth Light-Trapping Cavity-Planar Solar Receiver Tower Capital Expenditures and its Cost Mitigation Strategies

To maximize thermal efficiency, the National Renewable Energy Laboratory (NREL) has proposed a light-trapping cavity-planar receiver design intended to capture energy from reradiating surfaces. This system implements a macroscale light trapping mechanism induced by panels with triangular channels, this mechanism allows for elevated temperatures on the receiver panels and in turn the temperature of the HTF; using this design coupled with the implementation of a fluidized particle flow as the HTF, it can be expected for some components to reach a peak working temperature of nearly 1000 degrees C cyclically throughout each day-night cycle. While these temperatures correlate to higher efficiency of the CSP tower they also demand intense thermomechanical properties from the materials used to make the receiver panels. In this analysis, we will list our assumptions to provide clarity on the significance of our calculation. This cost analysis will be conducted using a combination of both case study data and surveying industry to determine costs that are relevant to the current market trends. This analysis represents an early attempt to establish the Capital Expenditures required for a CSP tower of such design to determine the feasibility of implementing such a system in the industry.

concentrated solar power (CSP)↗
DOE OSTI2025

Experimental and Computational Insights into the Structural Dynamics of the Fc Fragment of IgG1 Subtype from Biosimilar VEGF‐Trap

The constant fragment (Fc) of the immunoglobulin G1 (IgG1) subtype is increasingly recognized as a crucial scaffold in the development of advanced therapeutics due to its enhanced specificity, efficacy, and extended half‐life. A prime example is VEGF‐Trap (Aflibercept), a recombinant fusion protein that merges the Fc region of the IgG1 subtype with the binding domains of vascular endothelial growth factor receptors (VEGFR)‐1 and VEGFR‐2. The Fc region's role in N‐glycosylation is particularly important, as it significantly influences protein stability. Herein, the first near‐physiological temperature structures of the N‐glycan‐bound Fc fragment of IgG1 subtype from a biosimilar VEGF‐Trap are presented, determined using the SPring‐8 Angstrom Compact free electron LAser (SACLA) and the Turkish Light Source (Turkish DeLight). Comparative analysis with cryogenic structures, including existing data, reveals alternate conformations within the glycan‐binding pocket. Furthermore, molecular dynamics simulations indicate the presence of a high degree of structural plasticity, explaining how the protein adapts its structure through conformational changes. The observed structural fluctuations/conformational changes demonstrate the effect of N‐glycans on protein stability. These findings offer new insights into the molecular basis of Fc‐mediated functions and provide valuable information for the design of next‐generation therapeutics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Ultrafast Carrier Self-Trapping Driven by Strong Exciton–Phonon Coupling in 2D MA 3 Bi 2 I 6 Cl 3 Perovskite

Two-dimensional (2D) hybrid bismuth halide perovskites have emerged as promising lead-free materials for optoelectronic applications due to their solution processability and tunable structures. Here, in this study, we investigate 2D layered hybrid perovskite MA 3 Bi 2 I 6 Cl 3 using temperature-dependent photoluminescence (PL) and femtosecond transient absorption spectroscopy. Our results reveal strong coupling between excitons and phonons, evidenced by giant Huang–Rhys factors, coherent phonon oscillations, and ultrafast carrier self-trapping into small-polaron and self-trapped exciton (STE) states. These processes appear as time-dependent ground-state bleach and photoinduced absorption features, highlighting the influence of the lattice in carrier dynamics. Wavelength- and time-resolved measurements reveal that PL emission is dominated by STEs, while free exciton emission is weak and short-lived. By comparing 2D MA 3 Bi 2 I 6 Cl 3 with 0D MA 3 Bi 2 I 9 , which contains molecularly isolated [BiI 6 ] 3− octahedra and 2D MA 3 Bi 2 Br 9 perovskites, we demonstrate how halide composition and structural dimensionality influence the balance between free exciton populations and carrier localization. These insights uncover the intrinsic kinetic landscape of photoexcited states in MA 3 Bi 2 I 6 Cl 3 . Overall, our study contributes to a mechanistic understanding of exciton–phonon interactions in lead-free 2D perovskites.

Pradeep, Kodimana Ramakrishnan [Northwestern Univ.↗
DOE OSTI2026

Collection of fluorescence from an ion using trap-integrated photonics

Spontaneously emitted photons are entangled with the electronic and nuclear degrees of freedom of the emitting atom, so interference and measurement of these photons can entangle separate matter-based quantum systems as a resource for quantum information processing. Since confinement in a single-mode facilitates the photon interference needed for generating entanglement, the dipole emission patterns relevant in spontaneous emission present a mode-matching challenge. Current demonstrations rely on bulk photon-collection and manipulation optics that suffer from large component size and system-to-system variability—factors that impede scaling to the large numbers of entangled pairs needed for quantum information processing. To address these limitations, we demonstrate a collection method that enables passive phase stability, straightforward photonic manipulation, and intrinsic reproducibility. Specifically, we engineer a waveguide-integrated grating to couple photons emitted from a trapped ion into a single optical mode within a microfabricated ion-trap chip. Using the integrated collection optic, we characterize the collection efficiency, image the ion, and detect the ion’s quantum state. The integrated optic covers 2.18% of the solid angle and collects 1.97 ± 0.3% of the spontaneously emitted light incident on the grating for a total collection efficiency of 0.043% into a single-mode waveguide. This proof-of-principle demonstration lays the foundation for leveraging the inherent stability and reproducibility of integrated photonics to create, manipulate, and measure multipartite quantum states in arrays of quantum emitters.

Optical physics↗
DOE OSTI2026

Parity-doublet coherence times in optically trapped polyatomic molecules

Polyatomic molecules provide complex internal structures that are ideal for applications in quantum information science, quantum simulation and precision searches for physics beyond the standard model. A key feature of polyatomic molecules is the presence of parity-doublet states. These structures, which generically arise from the rotational and vibrational degrees of freedom afforded by polyatomic molecules, are a powerful feature to pursue diverse quantum science applications. Linear triatomic molecules contain ℓ-type parity-doublet states in the vibrational bending mode, which are predicted to exhibit robust coherence properties. Here we report optically trapped CaOH molecules prepared in ℓ-type parity-doublet states and realize a bare qubit coherence time of $T$$^{*}_{2}$, which is longer than the 0.36 s lifetime of the bending mode. We suppress differential Stark shifts by cancelling ambient electric fields using molecular spectroscopy and characterize parity-dependent trap shifts, which are found to limit the coherence time. Furthermore, the parity-doublet coherence times achieved in this work are a defining milestone for the use of polyatomic molecules in quantum science.

Quantum information↗
DOE OSTI2025

NUB1 traps unfolded FAT10 for ubiquitin-independent degradation by the 26S proteasome

The ubiquitin-like modifier FAT10 targets hundreds of proteins in the mammalian immune system to the 26S proteasome for degradation. This degradation pathway requires the cofactor NUB1, yet the underlying mechanisms remain unknown. Here, we reconstituted a minimal in vitro system with human components and revealed that NUB1 uses the intrinsic instability of FAT10 to trap its N-terminal ubiquitin-like domain in an unfolded state and deliver it to the 26S proteasome for engagement, allowing the degradation of FAT10-ylated substrates in a ubiquitin-independent and p97-independent manner. Using hydrogen–deuterium exchange, structural modeling and site-directed mutagenesis, we identified the formation of an intricate complex with FAT10 that activates NUB1 for docking to the 26S proteasome, and our cryo-EM studies visualized the highly dynamic NUB1 complex bound to the proteasomal Rpn1 subunit during FAT10 delivery and the early stages of ATP-dependent degradation. These findings identified a previously unknown mode of cofactor-mediated, ubiquitin-independent substrate delivery to the 26S proteasome that relies on trapping partially unfolded states for engagement by the proteasomal ATPase motor.

Arkinson, Connor↗
DOE OSTI2024

A thermal evaporation–trapping strategy to synthesize flexible and robust oxygen electrocatalysts for rechargeable zinc–air batteries

Great efforts have been devoted to the development of bifunctional electrocatalysts to accelerate the sluggish kinetics of cathodic oxygen reduction/evolution reactions (ORR/OER) in zinc–air batteries (ZABs). Here we report a thermal evaporation–trapping synergistic strategy to fabricate a bifunctional electrocatalyst of flexible N-doped carbon fiber cloth loaded with both CoFe-oxide nanoparticles and single-atom Co/Fe–Nx sites, in which the thermal evaporation process functions in both downsizing CoFe-oxide nanoparticles and trapping the evaporated Co/Fe species to generate Co/Fe–Nx sites. The obtained flexible electrocatalyst, directly serving as an oxygen electrode, displays a small potential gap of 0.542 V for the OER/ORR, large peak power densities (liquid-state ZAB: 237.4 mW cm2 ; solid-state ZAB: 141.1 mW cm2 ), and excellent charge–discharge cycling stability without decay after working more than 770 hours. Furthermore, in situ Raman spectroscopy characterization and theoretical calculations reveal that CoFe2O4 species is responsible for the OER while atomic Fe/Co sites play a key role in the ORR

Zhang, Hong-Bo↗
DOE OSTI2024

Trapped flux in a small crystal of CaKFe 4 As 4 at ambient pressure and in a diamond anvil pressure cell

In an extension of our previous work, the measurements of temperature dependent magnetization associated with trapped magnetic flux in a small single crystal of CaKFe 4 As 4 , using zero - field - cooled and field - cooled protocols were performed, on the same crystal, at ambient pressure without a pressure cell and at 2.2 GPa in a commercial diamond anvil cell (DAC), showing comparable results. The data show that with a proper care and understanding, trapped flux measurements in superconductors indeed can be performed on samples in DACs under pressure, as was done on superhydrides.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Conveyor-belt magneto-optical trapping of molecules

Abstract Laser cooling is used to produce ultracold atoms and molecules for quantum science and precision measurement applications. Molecules are more challenging to cool than atoms due to their vibrational and rotational internal degrees of freedom. Molecular rotations lead to the use of type-II transitions ( F ⩾ F ′ ) for magneto-optical trapping (MOT). When typical red detuned light frequencies are applied to these transitions, sub-Doppler heating is induced, resulting in higher temperatures and larger molecular cloud sizes than realized with the type-I MOTs most often used with atoms. To improve type-II MOTs, Jarvis et al (2018 Phys. Rev. Lett. 120 083201) proposed a blue-detuned MOT to be applied after initial cooling and capture with a red-detuned MOT. This was successfully implemented (Burau et al 2023 Phys. Rev. Lett. 130 193401; Jorapur et al 2024 Phys. Rev. Lett. 132 163403; Li et al 2024 Phys. Rev. Lett. 132 233402), realizing colder and denser molecular samples. Very recently, Hallas et al (2024 arXiv:2404.03636) demonstrated a blue-detuned MOT with a ‘1+2’ configuration that resulted in even stronger compression of the molecular cloud. Here, we describe and characterize theoretically the conveyor-belt mechanism that underlies this observed enhanced compression. We perform numerical simulations of the conveyor-belt mechanism using both stochastic Schrödinger equation and optical Bloch equation approaches. We investigate the conveyor-belt MOT characteristics in relation to laser parameters, g -factors and the structure of the molecule, and find that conveyor-belt trapping should be applicable to a wide range of laser-coolable molecules.

Li, Grace K. (ORCID:0000000277223355)↗
DOE OSTI2025

Suppressing trapped-electron-mode-driven turbulence via optimization of three-dimensional shaping

Abstract Turbulent transport driven by trapped electron modes (TEMs) is believed to drive significant heat and particle transport in quasihelically symmetric stellarators. Two three-dimensionally-shaped magnetic configurations with suppressed TEM-driven turbulence were generated through optimization that targeted quasihelical symmetry and the available energy of trapped electrons. Initial equilibria have flux surface shapes with a helically rotating negative triangularity (NT) and positive triangularity (PT). In gyrokinetic simulations, TEMs are suppressed in the reduced-TEM NT and PT configurations, showing that NT does not have the same beneficial turbulence properties over PT as seen in tokamaks. Heat fluxes from TEMs are also suppressed. Without temperature gradients and with a strong density gradient, the most unstable modes at low k y were consistent with toroidal universal instabilities (UIs) in the NT case and slab UIs in the PT case. Nonlinear simulations show that UIs drive substantial heat flux in both the NT and PT configurations. A moderate increase in β halves the heat flux in the NT configuration, while suppressing the heat flux in the PT geometry. Based on the present work, future optimizations aimed at reducing electrostatic drift wave-driven turbulent transport will need to consider UIs if β is sufficiently small.

Duff, J. M. (ORCID:0000000153086694)↗
DOE OSTI2026

Quantitative analysis of zonal flow influence on turbulent plasmas driven by trapped electrons

The role of zonal flow (ZF) in the turbulence saturation of trapped electron modes (TEM) in magnetically confined plasmas is revisited. Here, in this study, we examine ZF excitation and saturation mechanisms in TEM turbulence using detailed free-energy transfer diagnostics from nonlinear gyrokinetic simulations. When the ion channel becomes subdominant, electrons shift to transferring energy to the zonal component, which results in zonal flows always playing a significant though subdominant role, in the case of the temperature gradient driven TEM. The velocity-space structure of energy transfer reveals that trapped electrons directly couple to ZF. Regarding the saturation physics, the zonal flow advection, drift-wave–drift-wave interactions, and stable modes at the pump waves are compared. When ZF saturation is weak, drift-wave–drift-wave interactions play a larger role in maintaining turbulence saturation. The findings elucidate the roles of nonzonal to zonal flow coupling, stable modes, and nonzonal wave-wave interactions, and provide a basis for improving reduced models of turbulent transport.

Song, Jiheon [Hanyang University, Seoul (Korea, Re↗
DOE OSTI2026

Improved high-gradient performance for medium-velocity superconducting half-wave resonators: Surface preparation and trapped flux mitigation

A development effort to improve the performance of superconducting radio-frequency half-wave resonators (SRF HWRs) is underway at the Facility for Rare Isotope Beams (FRIB), where 220 such resonators are in operation. Our goal was to achieve an intrinsic quality factor (𝑄 0 ) of ≥ 2 × 10 10 at an accelerating gradient (𝐸 acc ) of 12 MV/m. FRIB production resonators were prepared with buffered chemical polishing. First trials of electropolishing (EP) and post-EP low-temperature baking of FRIB HWRs allowed us to reach higher gradient (15 MV/m, limited by quench) with a higher quality factor at high gradient, but 𝑄 0 was still below our goal. Trapped magnetic flux during the Dewar test was found to be a source of 𝑄 0 reduction. Three strategies were used to reduce the trapped flux: (i) adding a local magnetic shield (LMGS) to supplement the “global” magnetic shield around the Dewar for reduction of the ambient magnetic field; (ii) performing a “uniform cooldown” (UC) to reduce the thermoelectric currents; and (iii) using a compensation coil to further reduce the ambient field with active field cancellation (AFC). The LMGS improved the 𝑄 0 , but not enough to reach our goal. With UC and AFC, we exceeded our goal, reaching 𝑄 0 = 2.8 ×10 10 at 𝐸 acc = 12 MV/m.

Cryogenics & vacuum technology↗
DOE OSTI2024

Error mitigation, optimization, and extrapolation on a trapped-ion testbed

Current noisy intermediate-scale quantum (NISQ) trapped-ion devices are subject to errors which can significantly impact the accuracy of calculations if left unchecked. A form of error mitigation called zero noise extrapolation (ZNE) can decrease an algorithm’s sensitivity to these errors without increasing the number of required qubits. Here we explore different methods for integrating this error mitigation technique into the Variational Quantum Eigensolver (VQE) algorithm for calculating the ground state of the HeH + molecule at 0.8 Å in the presence of experimental noise. Using the Quantum Scientific Computing Open User Testbed (QSCOUT) trapped-ion device, we test three methods of scaling noise for extrapolation: time stretching the two-qubit gates, scaling the sideband detuning parameter, and inserting two-qubit gate identity operations into the ansatz circuit. We find that time stretching and sideband detuning scaling fail to scale the noise on our particular hardware in a way that can be extrapolated to zero noise. Scaling our noise with global gate identity insertions and extrapolating after variational optimization, we achieve error suppression of 96.8%, resulting in an energy estimate within –0.004 ± 0.04 hartree of the ground state energy. This is an improvement, but still outside the chemical accuracy threshold of 0.0016 hartree. Furthermore, our results show that the efficacy of this error mitigation technique depends on choosing the correct implementation for a given device architecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗