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Results for “ELECTRIC DIPOLE”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Designing artificial two-dimensional landscapes via atomic-layer substitution

Significance Manipulating materials with atomic-scale precision is essential for the development of a next-generation material design toolbox. Tremendous efforts have been made to advance the compositional, structural, and spatial accuracy of material deposition and patterning. Here, we presented a new reaction pathway to implement the conversions of two-dimensional materials within the atomic-layer thickness at room temperature for electrical dipole manipulation. Not only could various Janus monolayer transition metal dichalcogenides with vertical dipole be realized, but also some heterostructures, including the dipole-nondipole heterostructures (MoS 2 -MoSSe) and multiheterostructures (MoS 2 -MoSSe-MoSeS-MoSe 2 ) within the same monolayer host structure are developed, in which the dipoles can be selectively patterned to be zero (MoS 2 , MoSe 2 ), positive (MoSSe), and negative (MoSeS).

Guo, Yunfan↗
DOE OSTI2024

Ab initio generalized Langevin equation

We introduce a machine learning–based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables (CVs) in materials and molecules. In this scheme, the parameters are learned from atomistic simulations based on ab initio quantum mechanical models. Force field, memory kernel, and noise generator are constructed in the context of the Mori–Zwanzig formalism, under the constraint of the fluctuation–dissipation theorem. Combined with deep potential molecular dynamics and electronic density functional theory, this approach opens the way to multiscale modeling in a variety of situations. Here, we demonstrate this capability with a study of two mesoscale processes in crystalline lead titanate, namely the field-driven dynamics of a planar ferroelectric domain wall, and the dynamics of an extensive lattice of coarse-grained electric dipoles. In the first case, AIGLE extends the reach of ab initio simulations to a regime of noise-driven motions not accessible to molecular dynamics. In the second case, AIGLE deals with an extensive set of CVs by adopting a local approximation for the memory kernel and retaining only short-range noise correlations. The scheme is computationally more efficient than molecular dynamics by several orders of magnitude and mimics the microscopic dynamics at low frequencies where it reproduces accurately the dominant far-infrared absorption frequency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Manipulating ultrafast even-order nonlinear chiral responses of L-tryptophan by polarization pulse shaping

Molecular chirality has long been monitored in the frequency domain in the ultraviolet, visible, and infrared regimes. Recently developed time-domain approaches can detect time-dependent chiral dynamics by enhancing intrinsically weak chiral signals. Even-order nonlinear signals in chiral molecules have gained attention thanks to their existence in the electric dipole approximation, without relying on the weaker higher-order multipole interactions. We illustrate the optimization of temporal polarization pulse-shaping in various frequency ranges (infrared/optical and optical/X ray) to enhance chiral nonlinear signals. These signals can be recast as an overlap integral of matter and field pseudoscalars which contain the relevant chiral information. Simulations are carried out for second- and fourth-order nonlinear spectroscopies in L-tryptophan.

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

Sub Coulomb barrier d+ 208 Pb scattering in the time-dependent basis function approach

We employ the non-perturbative time-dependent basis function (tBF) approach to study the scattering of the deuteron on 208 Pb below the Coulomb barrier. We obtain the bound and discretized scattering states of the projectile, which form the basis representation of the tBF approach, by diagonalizing a realistic Hamiltonian in a large harmonic oscillator basis. We find that the higher-order inelastic scattering effects are noticeable for sub barrier scatterings with the tBF method. We have successfully reproduced experimental sub Coulomb barrier elastic cross section ratios with the tBF approach by considering only the electric dipole (E1) component of the Coulomb interaction between the projectile and the target during scatterings. Here, we find that the correction of the polarization potential to the Rutherford trajectory is dominant in reproducing the data at very low bombarding energies, whereas the role of internal transitions of the deuteron projectile induced by the E1 interaction during the scattering becomes increasingly significant at higher bombarding energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The HIBEAM instrument at the European spallation source

The European spallation source (ESS) will be the world’s brightest neutron source and will open a new intensity frontier in particle physics. The HIBEAM collaboration aims to exploit the unique potential of the ESS with a dedicated ESS instrument for particle physics which offers world-leading capability in a number of areas. The HIBEAM program includes the first search in thirty years for free neutrons converting to antineutrons and searches for sterile neutrons, ultralight axion dark matter and nonzero neutron electric charge. This paper outlines the capabilities, design, infrastructure, and scientific potential of the HIBEAM program, including its dedicated beamline, neutron optical system, magnetic shielding and control, and detectors for neutrons and antineutrons. Additionally, we discuss the long-term scientific exploitation of HIBEAM, which may include measurements of the neutron electric dipole moment and precision studies of neutron decays.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Spin–orbit configuration interaction study of spectral properties of PbO

Relativistic calculations of the structural and spectral properties of the PbO molecule can provide fundamental information about the importance of a proper treatment of angular momentum coupling among electrons in order to achieve accurate computational results for spectral properties. Specifically, the nature of these couplings in PbO is expected to be intermediate between the LS- and jj-coupling limits because of its light/heavy element composition. This article reports potential energy curves, transition energies, electric dipole transition moments, permanent dipole moments and spectroscopic constants of PbO calculated using a multireference single plus double excitations spin–orbit configuration interaction approach in the context of relativistic effective core potentials and their concomitant spin–orbit coupling operators. The calculated results are in general agreement with both available experimental results as well as earlier calculations. New values for properties of excited states are also reported. It is noteworthy that certain properties show larger deviations from previous calculations. Furthermore, these deviations are attributed to direct and indirect relativistic effects resulting from diatomic electron–electron angular momentum coupling effects, which are included consistently in the calculations reported herein.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The Muon Smasher’s Guide

In this work, we lay out a comprehensive physics case for a future high-energy muon collider, exploring a range of collision energies (from 1 to 100 TeV) and luminosities. We highlight the advantages of such a collider over proposed alternatives. We show how one can leverage both the point-like nature of the muons themselves as well as the cloud of electroweak radiation that surrounds the beam to blur the dichotomy between energy and precision in the search for new physics. The physics case is buttressed by a range of studies with applications to electroweak symmetry breaking, dark matter, and the naturalness of the weak scale. Additionally, we make sharp connections with complementary experiments that are probing new physics effects using electric dipole moments, flavor violation, and gravitational waves. An extensive appendix provides cross section predictions as a function of the center-of-mass energy for many canonical simplified models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Observation of $\gamma\gamma\to\tau\tau$ in proton-proton collisions and limits on the anomalous electromagnetic moments of the $\tau$ lepton

The production of a pair of τ leptons via photon–photon fusion, ${{\unicode{x03B3}\unicode{x03B3}\to\unicode{x03C4}\unicode{x03C4}}}$, is observed for the first time in proton–proton collisions, with a significance of 5.3 standard deviations. This observation is based on a data set recorded with the CMS detector at the LHC at a center-of-mass energy of 13 TeV and corresponding to an integrated luminosity of 138 fb$^{−1}$. Events with a pair of τ leptons produced via photon–photon fusion are selected by requiring them to be back-to-back in the azimuthal direction and to have a minimum number of charged hadrons associated with their production vertex. The τ leptons are reconstructed in their leptonic and hadronic decay modes. The measured fiducial cross section of ${{\unicode{x03B3}\unicode{x03B3}\to\unicode{x03C4}\unicode{x03C4}}}$ is $\sigma^\text{fid}_\text{obs} = 12.4 ^{+3.8}_{-3.1}\,\textrm{fb}$. Constraints are set on the contributions to the anomalous magnetic moment (${a_{\unicode{x03C4}}}$) and electric dipole moments (${d_{\unicode{x03C4}}}$) of the τ lepton originating from potential effects of new physics on the $\unicode{x03B3}\unicode{x03C4}\unicode{x03C4}$ vertex: ${a_{\unicode{x03C4}}} = 0.0009_{-0.0031}^{+0.0032}$ and $|{d_{\unicode{x03C4}}}| \lt 2.9\times 10^{-17}\,{e}\,\textrm{cm}$ (95% confidence level), consistent with the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Single-hole physics in GaAs/AlGaAs double quantum dot system with strong spin–orbit interaction

There is rapidly expanding interest in exploiting the spin of valence-band holes rather than conduction-band electrons for spin qubit semiconductor circuits composed of coupled quantum dots. The hole platform offers stronger spin–orbit interaction (SOI), large difference between in-dot-plane and out-of-dot-plane g-factors, i.e. g-factor anisotropy, and a significantly reduced hyperfine coupling to nuclei in the host material. These attributes collectively can deliver fast all-electric coherent spin manipulation, efficient spin-flip inter-dot tunneling channels, a voltage tunable effective g-factor, a g-factor adjustable to nearly zero in an appropriately oriented external magnetic field, and long spin relaxation and coherence times. In this work, we review our recent work on the physics of heavy holes confined in a planar GaAs/AlGaAs double quantum dot system with strong SOI. For a single-hole, we have performed resonant tunneling magneto-spectroscopy to extract spin-flip and spin-conserving tunneling strengths, implemented spin-flip Landau–Zener–Stückelberg–Majorana (LZSM) interferometry, determined the spin relaxation time T 1 as a function of magnetic field using a fast single-shot latched charge technique, electrically tuned the effective g-factor revealed by electric dipole spin resonance, and found signatures of the hyperfine interaction and dynamic nuclear polarization with holes. For two-holes, we have measured the energy spectrum in the presence of strong SOI (and so not limited by Pauli spin blockade), quantified the heavy-hole (HH) g-factor anisotropy on tilting the magnetic field, described a scheme to employ HHs whose g-factor is tunable to nearly zero for an in-plane magnetic field for a coherent photon-to-spin interface, and observed a well-defined LZSM interference pattern at small magnetic fields on pulsing through the singlet-triplet anti-crossing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Ultracold neutron storage simulation using the Kassiopeia software package

The Kassiopeia software package was originally developed to simulate electromagnetic fields and charged particle trajectories for neutrino mass measurement experiments. Recent additions to Kassiopeia also allow it to simulate neutral particle trajectories in magnetic fields based on their magnetic moments. Two different methods were implemented: an exact method that can work for arbitrary fields and an adiabatic method that is limited to slowly-varying fields but is much faster for large precession frequencies. Additional interactions to simulate reflection of ultracold neutrons (UCNs) from material walls and to allow spin–flip pulses were also added. These tools were used to simulate neutron precession in a room temperature neutron electric dipole moment experiment and predict the values of the longitudinal and transverse relaxation times as well as the trapping lifetime. All three parameters are found to closely match the experimentally determined values when simulated with both the exact and adiabatic methods, confirming that Kassiopeia is able to accurately simulate neutral particles. This opens the door for future uses of Kassiopeia to prototype the next generation of atomic traps and UCN experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Quantum information approach to the implementation of a neutron cavity

Abstract Using the quantum information model of dynamical diffraction we consider a neutron cavity composed of two perfect crystal silicon blades capable of containing the neutron wavefunction. We show that the internal confinement of the neutrons through Bragg diffraction can be modelled by a quantum random walk. Furthermore, we introduce a toolbox for modelling crystal imperfections such as surface roughness and defects. Good agreement is found between the simulation and the experimental implementation, where leakage beams are present, modelling of which is impractical with the conventional theory of dynamical diffraction. Analysis of the standing neutron waves is presented in regards to the crystal geometry and parameters; and the conditions required for well-defined bounces are derived. The presented results enable new approaches to studying the setups utilizing neutron confinement, such as the experiments to measure neutron magnetic and electric dipole moments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Simulations of the nEDM@SNS light collection system efficiency

Here, a system for collecting the scintillation light produced by the capture of ultra-cold neutrons (UCN) on polarized 3 He is discussed and results from simulations of its performance are presented. This system will be implemented in nEDM@SNS, the experiment searching for the neutron electric dipole moment (nEDM) at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. Simulation results show that the light collection system detects on average 17 photoelectrons per UCN- 3 He capture event (sufficient to generate a robust signal), reconstructs the event location in the beam direction to approximately 3 cm accuracy, detects capture events with a high and spatially uniform efficiency (0.95 with 1% variation), and rejects greater than 50% of beta decay background events.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

MEOP based 3 He polarization and injection system for experiments below 1 K

Metastability exchange optical pumping (MEOP) is a widely used technique for producing polarized 3 He. In connection with an experiment to search for the electric dipole moment of the neutron (nEDM) we have built a MEOP based 3 He polarization and injection system to prepare 80 % polarized 3 He at room temperature which will be injected into a ∼ 400 mK measurement cell filled with superfluid 4 He. We describe the polarization and injection system, which is designed to allow for final concentrations of 10 -8 –10 -10 of 80% polarized 3 He in the superfluid filled measurement cell. Only ≈ 0.72% polarization loss due to gradients is expected during injection.

Gas systems and purification↗
DOE OSTI2025

Optimizing spin dressing sensitivity for the nEDMSF experiment

nEDMSF aims to measure the neutron electric dipole moment (d n ) with unprecedented precision. In this paper we explore the experiment's sensitivity when operating with an implementation of the critical dressing method in which the angle between the neutron and Helium-3 spins (ϕ 3n ) is subjected to a square modulation by an amount ϕ d (the “dressing angle”). Several parameters can be tuned to optimize sensitivity. We find roughly 10% improvement over a previous estimate, resulting primarily from the addition of a waiting period between the π/2 pulse that initiates d n -driven ϕ 3n growth and the start of ϕ3n modulation. We find negligible further improvement by allowing ϕ d to vary continuously over the course of a run, and no degradation resulting from the addition of an in situ background measurement into each ϕ3n modulation sequence. A complete simulation confirms a 300 live-day sensitivity ofσ = 1.45×10 -28 e ·cm. At this level of sensitivity, σ ϕ3n0 = 1 mrad precision on the initial n/ 3 He angle difference is not negligible.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Opacities of singly and doubly ionized neodymium and uranium for kilonova emission modeling

ABSTRACT Even though the electromagnetic counterpart AT2017gfo to the binary neutron star merger GW170817 is powered by the radioactive decay of r-process nuclei, only few tentative identifications of light r-process elements have been made so far. One of the major limitations for the identification of heavy nuclei is incomplete or missing atomic data. While substantial progress has been made on lanthanide atomic data over the last few years, for actinides there has been less emphasis, with the first complete set of opacity data only recently published. We perform atomic structure calculations of neodymium (Z = 60) as well as the corresponding actinide uranium (Z = 92). Using two different codes [flexible atomic code (fac) and hartree–fock-relativistic (hfr)] for the calculation of the atomic data, we investigate the accuracy of the calculated data (energy levels and electric dipole transitions) and their effect on kilonova opacities. For the fac calculations, we optimize the local central potential and the number of included configurations and use a dedicated calibration technique to improve the agreement between theoretical and available experimental atomic energy levels (AELs). For ions with vast amounts of experimental data available, the presented opacities agree quite well with previous estimations. On the other hand, the optimization and calibration method cannot be used for ions with only few available AELs. For these cases, where no experimental nor benchmarked calculations are available, a large spread in the opacities estimated from the atomic data obtained with the various atomic structure codes is observed. We find that the opacity of uranium is almost double the neodymium opacity.

Flörs, A. (ORCID:0000000320242819)↗
DOE OSTI2025

Measurement of the parity-violating asymmetry in the 𝑁 → Δ transition at low 𝑄 2

Here, we report the measurement of the parity-violating asymmetry in the 𝑁 → Δ transition via the 𝑒 − + 𝑝 → 𝑒 − + Δ + reaction at two different kinematic points with low four-momentum transfer 𝑄 2 . Measurements were made with incident electron beam energies of 0.877 and 1.16 GeV, corresponding to 𝑄 2 values of 0.0111 and 0.0208 (GeV/c) 2 , respectively. These measurements put constraints on a low-energy constant in the weak Lagrangian, 𝑑 Δ , corresponding to a parity-violating electric-dipole transition matrix element. This matrix element has been shown to be large in the strangeness-changing channel, via weak hyperon decays such as Σ + → 𝑝⁢𝛾. The measurements reported here constrain 𝑑 Δ in the strangeness-conserving channel. The final asymmetries were −0.65±1.00⁢(stat.)±1.02⁢(syst.) ppm (parts per million) for 0.877 GeV and −3.59±0.82⁢(stat.)±1.33⁢(syst.) ppm for 1.16 GeV. With these results we deduce a small value for 𝑑 Δ , consistent with zero, in the strangeness-conserving channel, in contrast to the large value for 𝑑 Δ previously reported in the strangeness-changing channel.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Low-energy 17 O(𝑛,𝛾)⁢ 18 O reaction within the microscopic potential model and its role for the weak 𝑟 process

The neutron radiative capture reaction 17 O ⁡(𝑛,𝛾) ⁢18 O plays a pivotal role in both nuclear structure studies and astrophysical nucleosynthesis, particularly in the formation of elements during hydrostatic and explosive stellar environments. We calculated the 17 O ⁡(𝑛,𝛾) ⁢18 O cross section within the Skyrme Hartree-Fock potential model and analyzed electric dipole 𝐸⁢1 transitions to both positive- and negative-parity states below the α-decay threshold in 18 O. Our cross sections are significantly different from the data available in commonly used libraries. We further investigate the impact of the new calculated cross section on weak 𝑟-process nucleosynthesis using large-scale reaction network calculations across a wide range of electron fractions and entropies. Our results show that the 17 O ⁡(𝑛,𝛾) ⁢18 O reaction rate significantly influences the production of first 𝑟-process peak elements, such as strontium, under specific astrophysical conditions. This study highlights the importance of accurate nuclear data for light isotopes in modeling heavy-element synthesis and provides updated reaction rates for future nucleosynthesis simulations.

6 ≤ A ≤ 19↗
DOE OSTI2025

High-quality composite Pati-Salam axion

We present a composite QCD axion model where the Peccei-Quinn symmetry emerges as a high-quality, accidental symmetry. The axion potential is only modified by eight-fermion, dimension-12 operators, which if present at the Planck scale, allow for axion dark matter from misalignment while solving the strong 𝐶⁢𝑃 problem. The model is an SU⁡(𝑁 𝑐 ) gauge theory with ten flavors where the Pati-Salam unified subgroup SO⁡(6) × SO⁡(4) ⊂ SU⁢(10)𝐿 and Sp⁡(10) ⊂ SU⁢(10) 𝑅 are weakly gauged. The dynamics breaks SU⁢(10) 𝐿 × SU⁢(10) 𝑅 → SU⁢(10) 𝑉 and the weakly gauged groups to U⁡(3) × U⁡(2) ⊃ SU⁢(3) 𝑐 × SU⁢(2) 𝐿 × U⁡(1) 𝑌 , with the QCD axion identified as one of the Nambu-Goldstone bosons. This axion has a relatively large coupling to photons while a residual $\bar{𝜃}$ eff may be just below the current limit on the neutron electric dipole moment. If the dimension-12 operators are present near the grand unified theory scale, they can cause domain wall networks to decay, allowing for axion dark matter even for the postinflationary scenario.

Gherghetta, Tony [University of Minnesota, Minneap↗