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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Decoherence of V B spin defects in monoisotopic hexagonal boron nitride

Spin defects in hexagonal boron nitride (hBN) are promising quantum systems for the design of flexible two-dimensional quantum sensing platforms. Here we rely on hBN crystals isotopically enriched with either 10B or 11B to investigate the isotope-dependent properties of a spin defect featuring a broadband photoluminescence signal in the near infrared. By analyzing the hyperfine structure of the spin defect while changing the boron isotope, we first unambiguously confirm that it corresponds to the negatively-charged boron-vacancy center (V− B ). We then show that its spin coherence properties are slightly improved in 10B-enriched samples. This is supported by numerical simulations employing cluster correlation expansion methods, which reveal the importance of the hyperfine Fermi contact term for calculating the coherence time of point defects in hBN. Using crossrelaxation spectroscopy, we finally identify dark electron spin impurities as an additional source of decoherence. This work provides new insights into the properties of V− B spin defects, which are valuable for the future development of hBN-based quantum sensing foils.

Haykal, A.↗
DOE OSTI2020

High-resolution infrared spectroscopy of jet cooled CH 2 Br radicals: The symmetric CH stretch manifold and absence of nuclear spin cooling

Direct laser absorption of a slit supersonic discharge expansion provides the first high-resolution spectroscopic results on the symmetric CH stretch excitation (ν 1 ) of the bromomethyl (CH 2 Br) radical in the ground electronic state. Narrowband (<1 MHz) mid-infrared radiation is produced by difference-frequency generation of two visible laser beams, with the open shell halohydrocarbon radical generated by electron dissociative attachment of CH 2 Br 2 in a discharge and rapidly cooled to T rot = 18 ± 1 K in the subsequent slit-jet supersonic expansion. A rovibrational structure in the radical spectrum is fully resolved, as well as additional splittings due to spin-rotation effects and 79 Br/ 81 Br isotopologues in natural abundance. Spectroscopic constants and band origins are determined by fitting the transition frequencies to a non-rigid Watson Hamiltonian, yielding results consistent with a vibrationally averaged planar radical and an unpaired electron in the out-of-plane p π orbital. Additionally, extensive satellite band structure from a vibrational hot band is observed and analyzed. The hot band data is compared to CFOUR/VPT2 (CCSD(T)cc-pVQZ) ab initio anharmonic predictions of the vibration rotation alpha matrix, which permits unambiguous assignment to CH 2 symmetric-stretch excitation built on the singly excited CH 2 out-of-plane bending mode (ν 1 + ν 4 ← ν 4 ). Longitudinal cooling of the Doppler width in the slit-jet expansion geometry also reveals partially resolved hyperfine structure on transitions out of the lowest angular momentum states in excellent agreement with predictions based on microwave studies. High level ab initio MOLPRO calculations [CCSD(T)-f12b/VnZ-f12 (n = 3, 4, CBS)] are also performed with explicitly correlated f12 electron methods for the out-of-plane CH 2 bending mode over the halogen series CH 2 X (X = F, Cl, Br, I), which clearly reveals a non-planar geometry for X = F (with a ΔE ≈ 0.3 kcal/mol barrier) and yet planar equilibrium geometries for X = Cl, Br, and I. Finally, a detailed Boltzmann analysis of the transition intensities provides support for negligible collisional equilibration of the entangled H atom nuclear spin states on the few hundred microsecond time scale and high collision densities of a slit supersonic expansion.

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

Synthesis of Eu(HCOO) 3 and $\mathrm{Eu(HCOO)_3}$ • $\mathrm{(HCONH_2)_2}$ crystals and observation of their 5 D 0 → 7 F 0 transition for quantum information systems

Two stoichiometric metal-organic frameworks containing Eu 3+ cations are probed as candidates for photon-based quantum information storage. Synthesis procedures for growing 0.2 mm, rod-shaped Eu(HCOO) 3 and 1–3 mm, rhombohedral $\mathrm{Eu(HCOO)_3}$ • $\mathrm{(HCONH_2)_2}$ single crystals are presented with visible precipitation as soon as 1 h into heating for Eu(HCOO) 3 and 24 h for $\mathrm{Eu(HCOO)_3}$ • $\mathrm{(HCONH_2)_2}$. Room temperature and 1.4 K photoluminescence measurements of the 5 D 0 → 7 F J transitions of Eu 3+ are analyzed for both compounds. Comparisons of peak width and intensity are discussed along with the notable first report for both of the 5 D 0 → 7 F 0 transition, the hyperfine structure of which has potential use in quantum memory applications. Furthermore, the air instability of $\mathrm{Eu(HCOO)_3}$ • $\mathrm{(HCONH_2)_2}$ and the transformation of its photoluminescence properties are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

In-gas-jet laser spectroscopy with S 3 -LEB

The Super Separator Spectrometer-Low Energy Branch (S 3 -LEB) is a low-energy radioactive ion beam experiment under commissioning as part of the GANIL-SPIRAL2 facility. It will be used for the production and study of exotic nuclei by in-gas laser ionization and spectroscopy (IGLIS), decay spectroscopy, and mass spectrometry. Here, we report recent results from the off-line commissioning of S 3 -LEB, including first laser spectroscopy measurements in both the gas cell and the supersonic gas jet, the determination of the transport efficiency of laser ions from the gas cell through the RFQ chain, and time-of-flight measurements with the multi-reflection time-of-flight mass spectrometer PILGRIM. The measurements were performed using erbium, introduced by evaporation from a heated filament in the gas environment. The reported laser spectroscopy results include a characterization of the pressure broadening in the gas cell, proof-of-principle isotope shift measurements, and hyperfine-structure measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Voltage scanning and technical upgrades at the Collinear Resonance Ionization Spectroscopy experiment

To optimize the performance of the Collinear Resonance Ionization Spectroscopy (CRIS) experiment at CERN-ISOLDE, technical upgrades are continuously introduced, aiming to enhance its sensitivity, precision, stability, and efficiency. Recently, a voltage-scanning setup was developed and commissioned at CRIS, which improved the scanning speed by a factor of three as compared to the current laser-frequency scanning approach. This leads to faster measurements of the hyperfine structure for systems with high yields (more than a few thousand ions per second). Additionally, several beamline sections have been redesigned and manufactured, including a new field-ionization unit, an electrostatic bend with a larger deflection angle, and improved ion optics. The beamline upgrades are expected to yield an improvement of at least a factor of 5 in the signal-to-noise ratio by avoiding the use of high-power lasers (which yield non-resonantly produced ions) and providing time-of-flight separation between the resonant ions and the collisional background.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Calibration-free analysis of Li isotope ratios using laser ablation and laser absorption spectroscopy

We introduce a rapid, calibration-free, all-optical method for high-precision lithium isotope ratio measurements in solid materials using laser ablation combined with tunable laser absorption spectroscopy. A new asynchronous acquisition method is used to acquire time-resolved, high-resolution spectra of the 6Li and 7Li D1 and D2 transitions near 671 nm. Isotope ratios and atomic column densities are extracted from measured spectra via a physics-based fitting model including hyperfine structure. Under 1 Torr air, spectra recorded = 0.75 ms after plasma onset exhibit narrow linewidths corresponding to Doppler temperatures = 400 K, enabling resolution of the isotope peaks with high signal-to-noise ratios. Analysis of LiAlO2 samples with varying 6Li:7Li ratios demonstrates isotopic precisions of 0.6–1.7% for spectra acquired in 30 s. Isotope ratios determined from the spectral fits show accuracy within –0.3% to –1.7% of reference ICP-MS measurements without requiring calibration to external standards. By eliminating sample preparation and enabling spatially resolved isotopic mapping, this method offers a rapid analysis approach to lithium isotope determination in solid materials relevant to nuclear energy, safeguards, and geochemistry.

Phillips, Mark C.↗
DOE OSTI2024

Complex magnetic ordering in EuAl 4 –A 151 Eu Mössbauer study

151 Eu Mössbauer spectroscopy has been used to investigate the behaviour of EuAl 4 through the four magnetic transitions that occur below 16 K. We find clear evidence for the first transition (T N1 , the onset of order) where an incommensurate modulated magnetic structure appears, and the third (T N3 ) where the modulation disappears at the tetragonal → orthorhombic structural transition. We see no changes at the lowest transition (T N4 ) but find that the modulation amplitude passes through a maximum at T N2 . Data on the isostructural but magnetically simpler EuGa 4 are also presented for comparison.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Laser spectroscopy of metastable palladium at 340 and 363 nm

Here we report measurements of the isotope shift of the mass 104, 105, 106, 108, and 110 stable palladium isotopes for transitions from the metastable state $4d^9(^2D_{5/2})5s$, $^2[5/2]_3 → 4d^9(^2D_{5/2})5p, ^2[7/2]^o_4$ at 340 nm, and $4d^9(^2D_{5/2})5_s, ^2[5/2]_3 → 4d^9(^2D_{5/2})5p, ^2[3/2]^o_2$ at 363 nm. For 105 Pd , we determine the hyperfine structure of both transitions. The measurements were performed by saturation absorption spectroscopy in a custom-built hollow cathode lamp and will serve as a reference for collinear laser spectroscopy of short-lived neutron-rich palladium isotopes. We also report on the observation of a population inversion for the 363-nm transition under certain discharge conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Optical coherence and energy-level properties of a Tm 3+ -doped LiNbO 3 waveguide at subKelvin temperatures

We characterize the optical coherence and energy-level properties of the 795-nm 3 H 6 to 3 H 4 transition of Tm 3+ in a Ti 4+ :LiNbO 3 waveguide at temperatures as low as 0.65 K. Coherence properties are measured with varied temperature, magnetic field, optical excitation power and wavelength, and measurement timescale. We also investigate nuclear spin-induced hyperfine structure and population dynamics with varying magnetic field and laser excitation power. Except for accountable differences due to different Ti 4+ - and Tm 3+ -doping concentrations, we find that the properties of Tm 3+ :Ti 4+ :LiNbO 3 produced by indiffusion doping are consistent with those of a bulk-doped Tm 3+ :LiNbO 3 crystal measured under similar conditions. Furthermore, our results, which complement previous work in a narrower parameter space, support using rare-earth ions for integrated optical and quantum signal processing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Ramsey envelope modulation in NV diamond magnetometry

Nitrogen-vacancy (NV) spin ensembles in diamond provide an advanced magnetic sensing platform, with applications in both the physical and life sciences. The development of isotopically engineered 15 NV diamond offers advantages over naturally occurring 14 NV for magnetometry, due to its simpler hyperfine structure. However, for sensing modalities requiring a bias magnetic field not aligned with the sensing NV axis, the absence of a quadrupole moment in the 15 N nuclear spin leads to pronounced envelope modulation effects in time-dependent measurements of 15 NV spin evolution. While such behavior in spin echo experiments are well studied, analogous effects in Ramsey measurements and the implications for magnetometry remain underexplored. Here, we derive the modulated 15 NV Ramsey response to a misaligned bias field, using a simple vector description of the effective magnetic field on the nuclear spin. The predicted modulation properties are then compared to experimental results, revealing significant magnetic sensitivity loss if unaddressed. We demonstrate that double-quantum coherences of the NV S=1 electronic spin states dramatically suppress these envelope modulations, while additionally proving resilient to other parasitic effects such as strain heterogeneity and temperature shifts.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analysis of hydrogen and lithium isotopes using Laser-Induced Breakdown Spectroscopy

The detection and quantification of hydrogen (1,2,3H) and lithium (6,7Li) isotopes are critical to several energy and defense application areas, including hydrogen storage, nuclear forensics, and safeguards/non-proliferation. In this context, laser-induced breakdown spectroscopy (LIBS) is very promising and it comes with certain advantages such as rapid detection, and standoff capability. Although LIBS provides experimental simplicity and is capable of detecting all elements in the periodic table in any phase (solid, liquid, or gas), there exist certain challenges for isotopic analyses of H and Li due to spectral broadening, the presence of closely spaced fine and hyperfine structures, and line distortion effects (e.g., self-absorption and self-reversal) present in laser-produced plasmas. This article reports recent developments in H and Li isotopic analysis using LIBS, and existing challenges.

(020.3260) Isotope shifts, (140.3440) Laser-induce↗
DOE OSTI2022

One-dimensional air temperature measurements by air resonance enhanced multiphoton Ionization thermometry (ART)

In this work, a detailed calibration study is performed to establish non-intrusive one-dimensional (1D) rovibrational temperature measurements in unseeded air, based on air resonance enhanced multiphoton ionization thermometry (ART). ART is generated by REMPI (resonance enhanced multi-photon ionization) of molecular oxygen and subsequent avalanche ionization of molecular nitrogen in a single laser pulse. ART signal, the fluorescence from the first negative band of molecular nitrogen, is directly proportional to the 2-photon transition of molecular oxygen C 3 Π (v = 2) ← X 3 Σ (v’=0), which is used to determine temperature. Experimentally, hyperfine structures of the O 2 rotational branches with high temperature sensitivity are selectively excited through a frequency-doubled dye laser. Electron-avalanche ionization of N 2 results in the fluorescence emissions from the first negative bands of N 2 + near 390, 425, and 430nm, which are captured as a 1D line by a gated intensified camera. Post processing of the N 2 + fluorescence yields a 1D thermometry line that is representative of the air temperature. It is demonstrated that the technique provides ART fluorescence of ∼5cm in length in the unseeded air, presenting an attractive thermometry solution for high-speed wind tunnels and other ground test facilities.

42 ENGINEERING↗
DOE OSTI2023

Influence of ambient gas on self-reversal in Li transitions relevant to isotopic analysis

Laser induced breakdown spectroscopy is a promising, rapid analysis method for the detection and quantification of Li and its isotopes needed in geochemical, nuclear, and energy storage applications. However, spectral broadening in laser produced plasmas, presence of fine and hyperfine structures, and self-reversal effects make Li isotopic analysis via laser induced breakdown spectroscopy challenging. The present study explores the influence of Ar, N 2 , and He ambient gases over the pressure range of 0.05 - 100 Torr on line broadening and self-reversal of the Li I transition with the greatest isotopic shift in the VIS spectral region (i.e., ≈670.8 nm, ≈15.8 pm isotopic shift). We perform spatially and temporally resolved optical emission spectroscopy of plasmas produced via laser ablation of LiAlO 2 substrates. Our results show that the self-reversal and linewidth is reduced at lower pressures for all gases, and using optimized plasma conditions with chemometric methods, the 6 Li/ 7 Li isotopic ratios can be predicted.

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

Doppler-Free Saturation Spectroscopy (DFSS) for Magnetic and Electric Field Measurements in an FRC plasma

The Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and TAE Technologies (TAE) focused on a feasibility study of Doppler-free saturation spectroscopy (DFSS) as a diagnostic strategy to measure the internal magnetic and electric fields of TAE’s C-2W field-reversed configuration (FRC) fusion device. Non-perturbative measurements of magnetic and electric fields in the core of FRCs can provide critical information needed to constrain equilibrium models and for the continued advancement of the fusion research program at TAE. DFSS is a well-established, laser-based absorption spectroscopy technique used to suppress inhomogeneous (Doppler) broadening linewidths and reveal Zeeman/Stark split hyperfine structures of target emission lines. The collaboration involved the use of ORNL’s suite of experimentally validated quantum mechanical modelling codes to simulate theoretical atomic spectra for a variety of machine parameters and laser beam configurations. TAE’s expertise was heavily used to provide measurements/models of the required machine parameters needed as inputs to the simulations. Results of an all-encompassing error analysis demonstrate the favourable capabilities of the diagnostic and provided invaluable insights as to how DFSS can be best used to accurately measure internal B/E-fields in C-2W.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Relativistic Configuration-Interaction and Perturbation Theory Calculations for Heavy Atoms

Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of parameters for energy agreement. One promising approach is relativistic configuration-interaction and many-body perturbation theory (CI-MBPT) methods. We present CI-MBPT results for various atomic systems where this approach can lead to reasonable agreement: La I, La II, Th I, Th II, U I, Pu II. Among atomic properties, energies, g-factors, electric dipole moments, lifetimes, hyperfine structure constants, and isotopic shifts are discussed. While in La I and La II accuracy for transitions is better than that obtained with other methods, more work is needed for actinides.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Improved nuclear-structure corrections to the hyperfine splitting of electronic and muonic deuterium

We calculate the nuclear-structure correction to the hyperfine splitting in both electronic and muonic deuterium using interactions from chiral effective field theory. We explore the sensitivity to different parameterizations of the nucleon-nucleon force, study the convergence pattern in the order-by-order chiral expansion, and estimate remaining uncertainties. Our results are consistent with earlier calculations from pionless effective field theory, offering new insights for a robust uncertainty quantification. Thanks to the order-of-magnitude reduction in uncertainty achieved with chiral effective field theory, the two-photon exchange contribution in electronic deuterium agrees with experimental extractions within 0.5σ, in contrast to the 2.6σ discrepancy observed in muonic deuterium. This study lays the groundwork for extending TPE calculations to HFS in heavier atomic systems.

Chiral effective field theory↗
DOE OSTI2025

The nuclear charge radius of 13 C

The size is a key property of a nucleus. Accurate nuclear radii are extracted from elastic electron scattering, laser spectroscopy, and muonic atom spectroscopy. The results are not always compatible, as the proton-radius puzzle has shown most dramatically. Beyond helium, precision data from muonic and electronic sources are scarce in the light-mass region. The stable isotopes of carbon are an exception. We present a laser spectroscopic measurement of the root-mean-square (rms) charge radius of 13 C and compare this with ab initio nuclear structure calculations. Measuring all hyperfine components of the 2 3 S → 2 3 P fine-structure triplet in 13 C 4+ ions referenced to a frequency comb allows us to determine its center-of-gravity with accuracy better than 2 MHz although second-order hyperfine-structure effects shift individual lines by several GHz. We improved the uncertainty of R c ( 13 C) determined with electrons by a factor of 6 and found a 3σ discrepancy with the muonic atom result of similar accuracy.

Müller, Patrick [Technical Univ. of Darmstadt (Ger↗