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At least 919 records · Page 51

Quantum networks based on color centers in diamond

With the ability to transfer and process quantum information, large-scale quantum networks will enable a suite of fundamentally new applications, from quantum communications to distributed sensing, metrology, and computing. This Perspective reviews requirements for quantum network nodes and color centers in diamond as suitable node candidates. We give a brief overview of state-of-the-art quantum network experiments employing color centers in diamond and discuss future research directions, focusing, in particular, on the control and coherence of qubits that distribute and store entangled states, and on efficient spin–photon interfaces. We discuss a route toward large-scale integrated devices combining color centers in diamond with other photonic materials and give an outlook toward realistic future quantum network protocol implementations and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Chiral spin symmetry and the QCD phase diagram

Lattice QCD simulations with chirally symmetric quarks have recently established approximate SU(2) CS and SU(2N F ) symmetries of the quantum effective action in a temperature range above the chiral crossover T ch , in which color-electric interactions between quarks dominate the dynamics. We show that such an intermediate temperature range between the chirally broken and plasma regimes is fully consistent with published screening mass spectra, which demonstrate the breakdown of thermal perturbation theory at the crossover between the partonic and the chiral spin symmetric regime at T s ~(2–3)T ch . From the known behavior of screening masses with baryon chemical potential, we deduce qualitatively how this chiral spin symmetric band extends into the QCD phase diagram. In the cold and dense region, we propose parity doubled baryons as possible candidates for chiral spin symmetric matter. This represents a special case of quarkyonic matter with confinement and restored chiral symmetry, and can smoothly transform to quark matter at sufficiently high densities. Finally, we discuss the potential of dilepton spectra to identify such matter forms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Entanglement and seniority

In quantum mechanics entanglement is the most striking phenomenon which has no counterpart in classical systems. Although, different approaches have already been developed to study correlations in the case of indistinguishable particles, the exploration of the so-called mode entanglement is still in its initial stage in nuclear physics. Study of mode-entanglement in the seniority model, derivation of analytic formulas for the one-body reduced density matrix of states with seniority $ν$ = 0, 1, 2, and $ν$ = 3, and also determination of the particle number dependence of the one-body reduced density matrix for arbitrary seniority. In addition, comparison of the predictions of the seniority model with the results of the shell model to gain insight into the structure and correlations of the ground and lowest yrast states. In the seniority model the analytic results are calculated using the quasi-spin formalism. The numerical shell model calculations are carried out in the standard shell model framework using an inert core. The applied realistic effective interactions are derived earlier using the $G$-matrix formalism. The density matrix renormalization group method is also applied in order to directly calculate the mode entropies. In the seniority model simple analytical expressions are given for the mode entropies. The peculiar behavior of the half-filled shells and the seniority-zero states are revealed. Numerical results are presented for the lightest stable calcium isotopes and for 94 Ru nucleus. For 94 Ru, the seniority model accounts for the 0$g$ 9/2 mode entropies, but seniority mixing is important for certain yrast states. Furthermore, interaction induced quantum fluctuations decrease the occupation of the 0$f$ 5/2 , 1$p$ 3/2 and 1$p$ 1/2 shells, and amount in non-negligible mode entropies on these shells, too, clearly outside the scope of the simple (0$g$ 9/2 ) 4 seniority model. The 0$f$ 7/2 shell-based seniority model is more accurate for the Ca isotopes, but seniority mixing is substantial for some 44 Ca yrast states, too. Mode and one-body entanglement entropies are useful tools to investigate the structure of quantum correlations in nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Bonding and reactivity of isostructural uranyl and neptunyl peroxide phases

Understanding the reactivity of actinide peroxides is critical for predicting the behavior of spent nuclear fuel in radiolytic environments. Herein, we report the synthesis and characterization of a lithium neptunyl(VI) hydroxo peroxo compound (LiNp), which is isostructural to the uranyl analogue (LiU). Single-crystal X-ray diffraction reveals that LiNp contains both [NpO 2 (O 2 ) 3 ] 4- and [NpO 2 (OH) 4 ] 2- units stabilized by Li + and hydrogen bonding and Raman spectroscopy shows systematic redshifts in neptunyl vibrational modes relative to uranyl. DFT calculations highlight the importance of secondary coordination in reproducing vibrational and structural features, but challenges remain with correctly modeling strong sigma donors. Solid-state EPR spectroscopy and DFT confirm superoxide stabilization within LiU and calculations suggest favorability of the analogous radical species in LiNp. Solution state EPR spectroscopy with the radical spin trap 5-tert-butoxycarbonyl-5-methyl-1-pyrroline N-oxide (BMPO) reveal evidence of superoxide in the LiU and LiNp phases and suggests stabilization of superoxide within actinyl triperoxide complexes, forming [AnO 2 (O 2 ) 2 (O) 2 • ] 3- .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Magnetism Studies of Bis(acyl)phosphide-Supported Eu 3+ and Eu 2+ Complexes

A series of bis(acyl)phosphide-supported Eu complexes were synthesized (bis(acyl)phosphide = BAP). Here, in this study, BAP ligands proved to be excellent ligands for the synthesis of both Eu 3+ and Eu 2+ molecular complexes. Sodium bis(mesitoyl)phosphide (Na( mes BAP)) and sodium bis(2,4,6-triisopropylbenzoyl)phosphide (Na( tripp BAP)) were employed as ligand precursors for the synthesis of the Eu 3+ complexes Eu(bis(mesitoyl)phosphide) 3 (thf) 2 (Eu( mes BAP) 3 (thf) 2 ) and Eu(bis(2,4,6-triisopropylbenzoyl)phosphide) 3 (Eu( tripp BAP) 3 ), as well as the Eu 2+ complex, Eu(bis(2,4,6-triisopropylbenzoyl)phosphide) 2 (dme) 2 (Eu( tripp BAP) 2 (dme) 2 ) (thf = tetrahydrofuran, dme = 1,2-dimethoxyethane). All complexes were characterized using a combination of UV–vis–NIR–IR and NMR spectroscopies, and single-crystal X-ray diffraction (SC-XRD). The magnetic properties of these three monomeric Eu complexes were investigated by variable-temperature magnetic susceptibility. The magnetic data are typical for these ions, with Eu( tripp BAP) 2 (dme) 2 displaying Curie-type behavior. Both Eu( tripp BAP) 3 and Eu( mes BAP) 3 (thf) 2 possess similar 7 F 0 - 7 F 1 spin–orbit energy gaps and a similar zero-field splitting of the 7 F 1 state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probe Chiral Magnetic Effect with Signed Balance Function

In this paper a pair of observables are proposed as alternative ways, by examining the fluctuation of net momentum-ordering of charged pairs, to study the charge separation induced by the Chiral Magnetic Effect (CME) in relativistic heavy ion collisions. They are, the out-of-plane to in-plane ratio of fluctuation of the difference between signed balance functions measured in pair’s rest frame, and the ratio of it to similar measurement made in the laboratory frame. In this work, both observables have been studied with simulations including flow-related backgrounds, and for the first time, backgrounds that are related to resonance's global spin alignment. The two observables have similar positive responses to signal, and opposite, limited responses to identifiable backgrounds arising from resonance flow and spin alignment. Both observables have also been tested with two realistic models, namely, a multi-phase transport (AMPT) model and the anomalous-viscous fluid dynamics (AVFD) model. These two observables, when cross examined, will provide useful insights in the study of CME-induced charge separation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hydrogen and water interactions with CrMnFeCoNi alloy from density functional theory calculations

High entropy alloys (HEAs) are a promising class of materials with remarkable mechanical and catalytic properties. Among these, the quinary CrMnFeCoNi alloy (also called “Cantor alloy”) has attracted considerable attention given its thermodynamic stability and remarkable mechanical properties under different temperatures. Given that various degradation mechanisms involve multiple contaminants, such as hydrogen and water in hydrogen embrittlement and surface poisoning, respectively, understanding their interactions with the Cantor alloy is critical for its practical applications as structural, nuclear, or hydrogen storage material. In this work, we perform first-principles calculations based on Density Functional Theory (DFT) to investigate such interactions when considering various microstructures, including bulk materials and those containing certain defects, such as grain boundaries, stacking faults, and vacancies. We also employ Global Sensitivity Analysis to identify the importance of different factors in the stability of the impurities. We find that the accuracy of the H formation energy is significantly affected by spin polarization and chemical short-range order. The study also identifies a strong tendency for hydrogen interstitials to segregate to Σ5(210)/[001] symmetric tilt grain boundary, even when H concentrations are high, suggesting that a certain type of grain boundaries acts as H sinks within the alloy. Further, this result is reinforced by the low formation energy of vacancy-hydrogen complexes, which can contain multiple hydrogen atoms. Finally, the surface reactivity analysis reveals that the adsorption energy of oxygen and hydroxyl groups is highly sensitive to the specific metal atom involved in the binding, with a clear preference for chromium atoms, which could have implications for the alloy’s oxidation and corrosion behavior.

36 MATERIALS SCIENCE↗

Two-dimensional spin systems in PECVD-grown diamond with tunable density and long coherence for enhanced quantum sensing and simulation

Systems of spins engineered with tunable density and reduced dimensionality enable a number of advancements in quantum sensing and simulation. Defects in diamond, such as nitrogen-vacancy (NV) centers and substitutional nitrogen (P1 centers), are particularly promising solid-state platforms to explore. However, the ability to controllably create coherent, two-dimensional spin systems and characterize their properties, such as density, depth confinement, and coherence, is an outstanding materials challenge. We present a refined approach to engineer dense (≳1 ppm ∙ nm), 2D nitrogen, and NV layers in diamond using delta-doping during plasma-enhanced chemical vapor deposition epitaxial growth. We employ both traditional materials techniques, e.g., secondary ion mass spectrometry, alongside NV spin decoherence-based measurements to characterize the density and dimensionality of the P1 and NV layers. We find P1 densities of 5–10 ppm ∙ nm, NV densities between 1 and 3.5 ppm ∙ nm tuned via electron irradiation dosage, and depth confinement of the spin layer down to 1.6 nm. We also observe high (up to 0.74) ratios of NV to P1 centers and reproducibly long NV coherence times, dominated by dipolar interactions with the engineered P1 and NV spin baths.

36 MATERIALS SCIENCE↗

Electric Field Imaging Using Polarized Neutrons

In this paper, we experimentally demonstrate that electrically neutral particles, neutrons, can be used to directly visualize the electrostatic field inside a target volume that can be physically isolated or occupied. Electric field images are obtained using a spin-polarized neutron beam with a recently developed polarimetry method for polychromatic beams that permits detection of a small angular change in spin orientation. This work may enable a new diagnostic technique sensitive to the structure of electric potential, electric polarization, charge distribution, and dielectric constant by imaging spatially dependent electric fields in objects that cannot be accessed by other probes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Lifetime measurements probing collectivity in the ground-state band of 32 Mg

The signatures of inversion between normal and intruder configurations of particle-hole excitations across the N = 20 shell gap in the neutron-rich isotope 32 Mg have long been of keen interest. Electromagnetic transition rates in the ground-state band are key quantities that provide insights into collective properties associated with the contributions of the 2p2h and 4p4h intruder configurations. The combination of TRIPLEX, GRETINA, and the S800 spectrograph enables model-independent lifetime measurements to determine electromagnetic transition rates in rare isotopes. The reduced E2 transition rates in 32 Mg between the 2$^{+}_{1}$ and 0$^{+}_{1}$ states and between the 4$^{+}_{1}$ and 2$^{+}_{1}$ states have been measured, the latter representing the first experimental B(E2) value for this transition. Here, the B(E2) strengths indicate large collectivity and strong contributions from the 2p2h and 4p4h intruder configurations that may change with spin in the ground-state band of 32 Mg.

20 ≤ A ≤ 38↗

Quantum Instrumentation Control Kit Defect Arbitrary Waveform Generator (QICKDAWG) v.0

SAND2024-08598O The Quantum Instrumentation Control Kit Defect Arbitrary Waveform Generator (QICKDAWG) characterizes nitrogen-vacancy centers in diamond and other defects. It does this by using a radio frequency system-on-a-chip (RFSoC) field programmable gate array (FPGA). QICKDAWG synthesizes microwave pulses from the RFSoC to change the spin state of the defects. The software also allows for laser control using the RFSoC, which optically pumps defects. Ultimately, QICKDAWG supports the implementation of RFSoC FPGAs in defect characterization. This replaces the slow, expensive, traditional hardware, thus lowering the cost and time for defect characterization. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

CHESS: The future direct geometry spectrometer at the second target station

CHESS, chopper spectrometer examining small samples, is a planned direct geometry neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to small cross sections (e.g., small mass, small magnetic moments, or neutron absorbing materials) in powders, liquids, and crystals. CHESS is optimized to enable transformative investigations of quantum materials, spin liquids, thermoelectrics, battery materials, and liquids. The broad dynamic range of the instrument is also well suited to study relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of the Second Target Station at the Spallation Neutron Source enables the use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single measurement. Furthermore, the high flux grants an enhanced capability for polarization analysis. This enables the separation of nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials over a large range of energy and momentum transfer. This paper presents optimizations and technical solutions to address the key requirements envisioned in the science case and the anticipated uses of this instrument.

47 OTHER INSTRUMENTATION↗

Moments of nucleon unpolarized, polarized, and transversity parton distribution functions from lattice QCD at the physical point

The second Mellin moments ⟨ x ⟩ of the nucleon’s unpolarized, polarized, and transversity parton distribution functions are computed. Two lattice QCD ensembles at the physical pion mass are used: these were generated using a tree-level Symanzik-improved gauge action and 2 + 1 flavor tree-level improved Wilson Clover fermions coupling via 2-level HEX-smearing. The moments are extracted from forward matrix elements of local leading twist operators. We determine renomalization factors in RI-(S)MOM and match to MS ¯ at scale 2 GeV. Our findings show that operators that exhibit vanishing kinematics at zero momentum can have significantly reduced excited-state contamination. The resulting polarized moment is used to quantify the longitudinal contribution to the quark spin-orbit correlation. All our results agree within two sigma with previous lattice results. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impurity lattice Monte Carlo for hypernuclei

Abstract We consider the problem of including $$\varLambda $$ Λ hyperons into the ab initio framework of nuclear lattice effective field theory. In order to avoid large sign oscillations in Monte Carlo simulations, we make use of the fact that the number of hyperons is typically small compared to the number of nucleons in the hypernuclei of interest. This allows us to use the impurity lattice Monte Carlo method, where the minority species of fermions in the full nuclear Hamiltonian is integrated out and treated as a worldline in Euclidean projection time. The majority fermions (nucleons) are treated as explicit degrees of freedom, with their mutual interactions described by auxiliary fields. This is the first application of the impurity lattice Monte Carlo method to systems where the majority particles are interacting. Here, we show how the impurity Monte Carlo method can be applied to compute the binding energies of the light hypernuclei. In this exploratory work we use spin-independent nucleon–nucleon and hyperon–nucleon interactions to test the computational power of the method. We find that the computational effort scales approximately linearly in the number of nucleons. The results are very promising for future studies of larger hypernuclear systems using chiral effective field theory and realistic hyperon–nucleon interactions, as well as applications to other quantum many-body systems.

Frame, Dillon↗

Beam dynamics corrections to the Run-1 measurement of the muon anomaly $a_{\mu}$ at Fermilab

The Fermi National Accelerator Laboratory (FNAL) Muon $g\!-\!2$ Experiment has measured the positive muon magnetic anomaly $a_{\mu} \equiv (g_{\mu}-2)/2$ with a precision of 0.46 parts per million, with data collected during its first physics run in 2018. The experimental result combined with the measurement from the former experiment at Brookhaven National Laboratory increases the tension with the Standard Model expectation to $4.2\sigma$, thus strengthening evidence for new physics.The magnetic anomaly is determined from the precision measurements of the muon spin precession frequency, relative to the muon momentum, and the average magnetic field seen by the beam. In an ideal case with muons orbiting in a horizontal plane with a uniform vertical magnetic field, the anomalous precession frequency $\omega_a$ is given by the difference between the spin ($s$) and cyclotron ($c$) frequencies, $\omega_a = \omega_s - \omega_c$. The observable $\omega_a$ is proportional to $a_{\mu}$.This proceeding presents the beam dynamics systematic corrections that are required to adjust the measured muon precession frequency $\omega^{m}_{a}$ to its true physical value $\omega_{a}$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Spectroscopy of states in 136 Ba using the 138 Ba(p,t) reaction

Background: The 136 Ba isotope is the daughter nucleus in 136 Xe $ββ$ decay. It also lies in a shape transitional region of the nuclear chart, making it a suitable candidate to test a variety of nuclear models. Purpose: To obtain spectroscopic information on states in 136 Ba, which will allow a better understanding of its low-lying structure. These data may prove useful to constrain future 136 Xe → 136 Ba neutrinoless $ββ$ decay matrix element calculations. Methods: Here, a 138 Ba(p, t) reaction was used to populate states in 136 Ba up to approximately 4.6 MeV in excitation energy. The tritons were detected using a high-resolution Q3D magnetic spectrograph. A distorted wave Born approximation analysis was performed for the measured triton angular distributions. Results: 102 excited states in 136 Ba were observed, out of which 52 are reported for the first time. Definite spin-parity assignments are made for 26 newly observed states, while previously ambiguous assignments for ten other states are resolved. Together with other available data, the results are used to determine level densities in 136 Ba. These were compared with theory predictions, obtained using shell model calculations with Hamiltonians previously used for 136 Xe neutrinoless $ββ$ decay matrix element evaluations. Conclusions: The shell model predicted level densities agree reasonably well for the two Hamiltonians. However the results for theory and experiment are found to agree only at lower energies, diverging from one another for the higher lying states, with the discrepancy increasing with energy. This is presumably because of lower production cross sections for a majority of the higher-lying predicted states and the experimental limitations in resolving a large number of nearly degenerate states predicted by the theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Energy-dependent optimization of the prompt fission neutron spectrum with CGMF

Throughout the course of FY21, significant effort was put into investigating models within the LANL developed Hauser-Feshbach fission fragment decay code, CGMF, to understand and potentially solve the long-standing challenge of a too-soft prompt fission neutron spectrum, PFNS. Several inputs and models to CGMF were investigated, including the discrete nuclear levels, the optical model potential, level densities, and the fission fragment initial conditions. Some of the global models within CGMF led to a slight hardening of the neutron spectrum—particularly the likely incomplete discrete levels in through which γ-rays decay—but none of the changes where large enough for the tail of the PFNS to reproduce experimental data. A significant hardening of the spectrum tail was observed when the fission fragment initial conditions were optimized based on their sensitivities to the PFNS data for thermal incident neutrons. In this way, the parameters for the CGMF mass and total kinetic energy distributions, along with the spin cutoff factor were adjusted to better reproduce the experimental PFNS measurements. This optimization hardened the tail of the PFNS slightly but led to unphysical mass distributions for the fission fragments before neutron emission. It was clear from the above that we do not expect to be able to produce an evaluation-quality PFNS with CGMF in the near future. Challenges at thermal will persist–and possibly worsen–with increasing incident energy, where more models are needed to completely describe the fission. Basic-science research funding exceeding the amount available and scope of our NCSP funds would be needed to tackle this decade-long challenge impacting many fission-fragment event generator. And, in fact, Amy Lovell won LDRD ECR funding to do so over the next few years. Therefore, we focused in FY22 on extending evaluation capabilities beyond thermal incident neutrons, to take into account the incident energy dependence of the PFNS and fission fragment initial condition distributions in CGMF. We chose to set up the evaluation methodology to perform PFNS evaluations with CGMF across incident-neutron energies, in order to have it readily available for future NCSP evaluations when the PFNS from CGMF has improved. In this report, we outline the evaluation methodology, along with the results of the optimization, including full model calculations with CGMF using the evaluated parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Design and implementation of a J -coupled spectrometer for multidimensional structure and relaxation detection at low magnetic fields

In recent years, it has been realized that low and ultra-low field (mT-nT magnetic field range) nuclear magnetic resonance (NMR) spectroscopy can be used for molecular structural analysis. However, spectra are often hindered by lengthy acquisition times or require large sample volumes and high concentrations. Here, we report a low field (50 µT) instrument that employs a linear actuator to shuttle samples between a 1 T prepolarization field and a solenoid detector in a laboratory setting. The current experimental setup is benchmarked using water and 13 C-methanol with a single scan detection limit of 2x10 20 spins (3 μL, 55 M H 2 O) and detection of 2.9x10 19 (200 μL, 617 mM 13 C-methanol) spins with signal averaging. The system has a dynamic range of >3 orders of magnitude. Investigations of room-temperature relaxation dynamics of 13Cmethanol show that sample dilution can be used in lieu of sample heating to acquire spectra with linewidths comparable to high-temperature spectra. These results indicate that the T 1 and T 2 mechanisms are governed by both the proton exchange rate and the dissolved oxygen in the sample. Finally, a 2D correlation spectroscopy (COSY) experiment is reported, performed in the strong coupling regime that resolves the multiple resonances associated with the heteronuclear Jcoupling. The spectrum was collected using 10 times less sample and in less than half the time from previous reports in the strong coupling limit.

47 OTHER INSTRUMENTATION↗