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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Cavity-modified molecular dipole switching dynamics

Polaritonic states, which are formed by resonances between a molecular excitation and the photonic mode of a cavity, have a number of useful properties that offer new routes to control molecular photochemistry using electric fields. To provide a theoretical description of how polaritonic states affect the real-time electron dynamics in molecules, a new method is described where the effects of strong light–molecule coupling are implemented using real-time electronic structure theory. The coupling between the molecular electronic states and the cavity is described by the Pauli–Fierz Hamiltonian, and transitions between polaritonic states are induced via an external time-dependent electric field using time-dependent configuration interaction (TDCI) theory, producing quantum electrodynamics TDCI (QED-TDCI). This method is used to study laser-induced ultrafast charge transfer and dipole-switching dynamics of the LiCN molecule inside a cavity. The increase in cavity coupling strength is found to have a significant impact on the energies and transition dipole moments of the molecule–cavity system. The convergence of the polaritonic state energies as a function of the number of included electronic and photonic basis states is discussed.

Chemistry↗
DOE OSTI2024

Shock compression experiments using the DiPOLE 100-X laser on the high energy density instrument at the European x-ray free electron laser: Quantitative structural analysis of liquid Sn

X-ray free electron laser (XFEL) sources coupled to high-power laser systems offer an avenue to study the structural dynamics of materials at extreme pressures and temperatures. The recent commissioning of the DiPOLE 100-X laser on the high energy density (HED) instrument at the European XFEL represents the state-of-the-art in combining x-ray diffraction with laser compression, allowing for compressed materials to be probed in unprecedented detail. Here, we report quantitative structural measurements of molten Sn compressed to 85(5) GPa and ~3500 K. The capabilities of the HED instrument enable liquid density measurements with an uncertainty of ~1% at conditions which are extremely challenging to reach via static compression methods. We discuss best practices for conducting liquid diffraction dynamic compression experiments and the necessary intensity corrections which allow for accurate quantitative analysis. We also provide a polyimide ablation pressure vs input laser energy for the DiPOLE 100-X drive laser which will serve future users of the HED instrument.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Spatially resolved measurements of plasma ion velocity distributions in a dipole magnetic field

The equilibrium flows of a plasma discharge in a dipole magnetic field are a topic of interest in low temperature plasma physics. Experimentalists typically rely on probe-based and line-integrated diagnostic techniques in these environments to describe plasma behavior. Presented here are measurements of argon ion dynamics with laser induced fluorescence techniques to provide insight into plasma dynamics in dipole magnetic fields with nonperturbative, spatially localized measurements. Simulation results from a Lagrangian approach to track particle orbits are compared to measured density profiles and provide evidence to support the mechanism distinguishing experimental configurations is the initial approach of particles. Applying a negative DC bias to the magnet induces strong E×B flows around the magnet, even exceeding the ion acoustic speed as measured far from the magnet. A strong enough bias also produces two distinct ion populations and provides a method for controlling the density gradient on the equator.

McLaughlin, Jacob W. (ORCID:0000000152661888)↗
DOE OSTI2020

Ferromagnetic resonance in single vertices and 2D lattices macro-dipoles of elongated nanoelements: measurements and simulations

We report broadband ferromagnetic resonance measurements of the in-plane magnetic field response of three- and four-fold symmetric vertices formed by non-contacting permalloy nano-ellipses together with extended lattices constructed from them. Complementing the experimental data with simulations, we are able to show that, as far as the most intense FMR responses are concerned, the spectra of vertices and lattices can largely be interpreted in terms of a superposition of the underlying hysteretic responses of the individual ellipses, as elemental building blocks of the system. Here, this property suggest that it is possible to understand the orientation of the individual magnetic dipole moments in a dipole network in terms of dynamic measurements alone, thereby offering a powerful tool to analyze the alignment statistics in frustrated systems that are exposed to various magnetic histories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Solid core dipoles and switching power supplies: Lower cost light sources?

As a result of improvements in power semiconductors, moderate frequency switching supplies can now provide the hundreds of amps typically required by accelerators with zero-to-peak noise in the kHz region ~ 0.06% in current or voltage mode. Modeling was undertaken using a finite electromagnetic program to determine if eddy currents induced in the solid steel of CEBAF magnets and small supplemental additions would bring the error fields down to the 5ppm level needed for beam quality. The expected maximum field of the magnet under consideration is 0.85 T and the DC current required to produce that field is used in the calculations. An additional 0.1% current ripple is added to the DC current at discrete frequencies 360 Hz, 720 Hz or 7200 Hz. Over the region of the pole within 0.5% of the central integrated BdL the resulting AC field changes can be reduced to less than 1% of the 0.1% input ripple for all frequencies, and a sixth of that at 7200 Hz. Doubling the current, providing 1.5 T central field, yielded the same fractional reduction in ripple at the beam for the cases checked. A small dipole was measured at 60, 120, 360 and 720 Hz in two conditions and the results compared to the larger model for the latter two frequencies with surprisingly good agreement. Thus, for light sources with aluminum vacuum vessels and full energy linac injection, the combination of solid core dipoles and switching power supplies may result in significant cost savings.

acceleration cavities and magnets superconducting ↗
DOE OSTI2025

Estimating an airborne dipole source using 3-D wavefield simulations and seismic receivers on the ground

Acoustic signals can couple to the ground, providing an opportunity to use seismic stations to investigate airborne sources. The study of Bishop et al. used wavefield simulations in a fluid-solid medium to quantify the role of topography on the seismic (ground) recordings of a monopole source in the air. We build upon this study by linking wavefield forward modelling with the source estimation code MTUQ, which can accommodate point forces or moment tensors in a solid medium, as well as sources in the air (or water) if they are enabled by the forward-modelling solver. We perform a series of synthetic numerical experiments to demonstrate that a dipole airborne source can be estimated using ground-based receivers, even within the presence of realistic topography. We investigate the influence of receiver coverage, topography, and assumed source location on the estimated results. The established capabilities raise the prospects for future efforts to estimate dipole sources in 3-D models that include heterogeneity in the air and the earth in addition to topography.

58 GEOSCIENCES↗
DOE OSTI2026

Fabrication and test of a 6-tesla-class high-temperature superconducting dipole magnet at 4.2 K

Superconducting magnets enable energy-frontier accelerators by generating strong magnetic fields to steer and focus the particles. Although high-temperature superconductors such as REBa 2 Cu 3 O x (, RE = rare earth) hold a strong potential for generating a higher magnetic field than Nb-Ti and Nb 3 Sn , the associated magnet and conductor technology for accelerator applications is still in its infancy. The U.S. Magnet Development Program is developing magnet technology in collaboration with industry. Here we report an experiment of making a dipole magnet called C3 using commercial high-temperature superconducting wires. The magnet, following a canted cos θ design, generated a dipole field of 5.99 T at 4.2 K in its clear aperture of 65 mm at 6.795 kA when a resistive voltage of 105 μ V appeared across one of the coils in the magnet. The stored energy was 53 kJ at the peak field. The magnet showed no degradation in the current-carrying capability at 4.2 K after the thermal cycle. We report on the detailed design, fabrication, and performance of the C3 magnet that can be of interest to potential users of this emerging technology. We also discuss issues and research needs to inform future magnet development. The experiment represented another step to addressing if the high-temperature superconducting accelerator magnet technology can increase the discovery capability of future particle accelerators.

Abraimov, Dmytro [National High Magnetic Field Lab↗
DOE OSTI2020

Retrieval of full angular- and energy-dependent complex transition dipoles in the molecular frame from laser-induced high-order harmonic signals with aligned molecules

High-order harmonic signals generated in molecules are the consequence of coherent summation of complex laser-induced transition dipoles $\textit{d}(θ, ω)$ with each fixed-in-space molecule; here $\theta$ is the angle of the molecular axis with respect to the laser polarization axis and $\omega$ is the harmonic energy. In the so-called rotational coherent spectroscopy, it is proposed to extract the fixed-in-space $\textit{d}(θ, ω)$ in the molecular frame by measuring harmonics generated by a probing laser from the rotational molecular wave packets that have been prepared by a prior pump laser. By varying the time delay between the two lasers, methods have been utilized to extract the $\theta$ dependence of both the amplitude and phase of each individual harmonic, but the relative phase between harmonics cannot be retrieved. Here we report that this limitation can be removed. It requires the additional measurement of harmonic spectra versus the pump-probe angles at one fixed time delay. The two-dimensional input harmonic data (time-delay and pump-probe angle) are then used to retrieve the full complex transition dipole $\textit{d}(θ, ω)$ using a retrieval method based on machine learning algorithms. Finally, we demonstrate this method on N 2 and CO 2 molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Direct evidence of the dominant role of multiphoton permanent-dipole transitions in strong-field dissociation of NO 2 +

We study laser-induced dissociation of a metastable NO 2+ ion-beam target into N + +O + , focusing on the prominent contribution by molecules breaking parallel to the polarization at high peak laser intensity (~10 15 W/cm 2 ). Our experimental results and time-dependent Schrödinger equation calculations show that, contrary to commonly held intuition that electronic transitions always prevail, the dominant process underlying this highly aligned dissociation is a multiphoton permanent-dipole transition involving only the electronic ground state and leading to its vibrational continuum. Strong-field permanent-dipole transitions should thus be considered generally, as they may play a significant role in other heteronuclear molecules. Moreover, their role should only grow in importance for longer wavelengths, a trending direction in ultrafast laser studies.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Fringe field maps for symplectic models of general Cartesian dipoles

We present a framework with which to analyze the effects of magnetic fringe fields. The theory defines the fringe field to be the transition between two regions of nearly constant field, and can incorporate constant multipoles in the magnet body. We then analyze Cartesian dipoles and derive symplectic fringe field maps that are applicable to longitudinal and/or transverse gradient dipoles. We verify the fringe maps with tracking, and show how we incorporated the theory into the tracking code ELEGANT. The resulting elements and several supporting scripts are now available for users, and we conclude with several predictions relevant to the APS Upgrade project.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Sr-induced dipole scatter in Ba x Sr 1– x TiO 3 : Insights from a transferable-bond valence-based interatomic potential

In order to design next-generation ferroelectrics, a microscopic understanding of their macroscopic properties is critical. One means to achieve an atomistic description of ferroelectric and dielectric phenomena is classical molecular dynamics simulations. Previously, we have shown that interatomic potentials based on the bond valence molecular dynamics method can be used to study structural phase transitions, ferroelectric domain nucleation, and domain wall migration in several perovskite oxides and fixed-composition binary and ternary alloys. Most modern devices, however, use variable-composition perovskite oxide alloys such as Ba x Sr 1– x TiO 3 (BST). Here, we extend our bond valence approach to BST solid solutions and, in so doing, show that the potential parameters for each element are transferable between materials with different x . Using this potential, we perform bond valence molecular dynamics simulations investigating the temperature and composition dependence of the lattice constants, Ti displacements, and ferroelectric polarization of BST and find that our predictions match experiments and first-principles theory. Additionally, based on a detailed analysis of local dipole distributions in rhombohedral BST, we demonstrate that substitution of Sr for Ba scrambles dipoles, reduces global polarization, and enhances the order-disorder character of the ferroelectric-paraelectric phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Point defect induced incommensurate dipole moments in the K Ca 2 Nb 3 O 10 Dion-Jacobson layered perovskite

Local structural distortions due to isolated atomic defects and defect complexes strongly affect the macroscopic properties of oxide ceramics. While the characterization of local defect structures is more common in simple AB O 3 perovskites, unambiguous determination of the same in layered perovskites is more difficult due to their complex crystal structures. In this study, we combined x-ray pair distribution function and density functional theory calculations to characterize the structure of cation-oxygen divacancy pairs in a Dion-Jacobson (D-J) layered perovskite. Our results indicate that local incommensurate dipole moments with polarization density in the range of ~ 0.1–17μC/cm 2 are created due to divacancy-induced structural distortions in the D-J phase K Ca 2 Nb 3 O 10 . This is comparable with defect dipole moments observed in well-known perovskite ferroelectrics. The current results imply that controlling the atomic defects can potentially lead to significant control of dielectric properties in D-J layered perovskites.

3-dimensional systems↗
DOE OSTI2023

Dipole condensates in tilted Bose-Hubbard chains

Here we study the quantum phase diagram of a Bose-Hubbard chain whose dynamics conserves both a boson number and boson dipole moment, a situation which can arise in strongly tilted optical lattices. The conservation of the dipole moment has a dramatic effect on the phase diagram, which we analyze by combining a field theory analysis with DMRG simulations. In the thermodynamic limit, the phase diagram is dominated by various types of incompressible dipolar condensates. In finite-sized systems, however, it may be possible to stabilize a Bose-Einstein insulator: an exotic compressible phase which is insulating, despite the absence of a charge gap. We suggest several ways by which these exotic phases can be identified in near-term cold-atom experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Magnetic dipole interactions in crystals

The influence of magnetic dipole interactions (MDIs) on the magnetic properties of local-moment Heisenberg spin systems is investigated. A general formulation is presented for calculating the eigenvalues λ and eigenvectors μ ˆ of the MDI tensor of the magnetic dipoles in a line (one dimension, 1D), within a circle (2D) or a sphere (3D) of radius r surrounding a given moment μ → i for given magnetic propagation vectors k for collinear and coplanar noncollinear magnetic structures on both Bravais and non-Bravais spin lattices. Results are calculated for collinear ordering on 1D chains, 2D square and simple-hexagonal (triangular) Bravais lattices, 2D honeycomb and kagomé non-Bravais lattices, and 3D cubic Bravais lattices. The λ and μ ˆ values are compared with previously reported results. Calculations for collinear ordering on 3D simple tetragonal, body-centered tetragonal, and stacked triangular and honeycomb lattices are presented for c/a ratios from 0.5 to 3 in both graphical and tabular form to facilitate comparison of experimentally determined easy axes of ordering on these Bravais lattices with the predictions for MDIs. Comparisons with the easy axes measured for several illustrative collinear antiferromagnets (AFMs) are given. The calculations are extended to the cycloidal noncollinear 120 ° AFM ordering on the triangular lattice where λ is found to be the same as for collinear AFM ordering with the same k. The angular orientation of the ordered moments in the noncollinear coplanar AFM structure of GdB 4 with a distorted stacked 3D Shastry-Sutherland spin-lattice geometry is calculated and found to be in disagreement with experimental observations, indicating the presence of another source of anisotropy. Similar calculations for the undistorted 2D and stacked 3D Shastry-Sutherland lattices are reported. The thermodynamics of dipolar magnets are calculated using the Weiss molecular field theory for quantum spins, including the magnetic transition temperature T m and the ordered moment, magnetic heat capacity, and anisotropic magnetic susceptibility χ versus temperature T . The anisotropic Weiss temperature θ p in the Curie-Weiss law for T>T m is calculated. A quantitative study of the competition between FM and AFM ordering on cubic Bravais lattices versus the demagnetization factor in the absence of FM domain effects is presented. The contributions of Heisenberg exchange interactions and of the MDIs to T m and to θ p are found to be additive, which simplifies analysis of experimental data. Some properties in the magnetically-ordered state versus T are presented, including the ordered moment and magnetic heat capacity and, for AFMs, the dipolar anisotropy of the free energy and the perpendicular critical field. The anisotropic χ for dipolar AFMs is calculated both above and below the Néel temperature T N and the results are illustrated for a simple tetragonal lattice with c/a>1, c/a=1 (cubic), and c/a<1 , where a change in sign of the χ anisotropy is found at c/a=1 . Finally, following the early work of Keffer [Phys. Rev. 87, 608 (1952)], the dipolar anisotropy of χ above T N =69 K of the prototype collinear Heisenberg-exchange-coupled tetragonal compound MnF 2 is calculated and found to be in excellent agreement with experimental single-crystal literature data above 130 K, where the smoothly increasing deviation of the experimental data from the theory on cooling from 130 K to T N is deduced to arise from dynamic short-range collinear c -axis AFM ordering in this temperature range driven by the exchange interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fine structure of the isovector giant dipole resonance in Nd 142 – 150 and Sm 152

Inelastic proton scattering at energies of a few hundred MeV and very-forward scattering angles including 0° has been established as a tool for the study of electric-dipole strength distributions in nuclei. The present work reports a systematic investigation of the chain of stable even-mass Nd isotopes representing a transition from spherical to quadrupole-deformed nuclei. Extraction of the equivalent photo-absorption cross sections and analysis of their fine structure in the energy region of the isovector giant dipole resonance (IVGDR). Method: Proton inelastic scattering reactions of 200 MeV protons were measured at the iThemba Laboratory for Accelerator Based Sciences in Cape Town, South Africa. The scattering products were momentum-analyzed by the K600 magnetic spectrometer positioned at θ Lab = 0°. Using dispersion-matching techniques, energy resolutions of ΔE ≈ 40–50 keV (full width at half maximum) were obtained. After subtraction of background and contributions from other multipoles, the spectra were converted to photoabsorption cross sections using the equivalent virtual-photon method. Wavelet-analysis techniques are used to extract characteristic energy scales of the fine structure of the IVGDR from the experimental data. Fine structure of the IVGDR is observed even for the most deformed nuclei studied. Comparisons between the extracted experimental energy scales and those energy scales obtained from the quasiparticle-phonon model (QPM) and Skyrme separable random phase approximation (SSRPA) predictions provide insight into the role of different giant-resonance damping mechanisms. It can be seen that the scales in the spherical and most likely also in the deformed nuclei mainly result from the fragmentation of the one-particle-one-hole (1p1h) strength into several dominant transitions serving as doorway states. In cases where calculations beyond the 1p1h level are available, some impact of the spreading due to coupling of the two-particle-two-hole (2p2h) states to the 1p1h doorway states is observed. New virtual-photon absorption data for the chain of stable Nd isotopes and 152 Sm are presented, with a focus on the phenomenon of nonstatistical cross-section fluctuations, referred to as fine structure, in the energy region of the IVGDR. The wavelet-analysis techniques used allowed for the features of the fine structure to be quantified in the form of characteristic scales. Finally, comparisons between experimental results and model predictions indicate that Landau damping seems to be the main source of the fine structure in both the spherical and deformed nuclei, but calculations including 2p2h degrees of freedom would be beneficial to confirm this for the deformed cases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Single-particle and dipole excitations in Co 62

An extensive study of the level structure of 62 Co has been performed following a complex multinucleon transfer reaction, 26 Mg( 48 Ca, 2α3npγ) 62 Co, at beam energies of 275, 290, and 320 MeV. The combination of the Gammasphere array, the fragment mass analyzer, and a focal-plane ionization chamber was used to identify and delineate excited levels in 62 Co. A considerable extension to the 62 Co level scheme is proposed with firm spin-parity values assigned on the basis of angular distribution and correlation analyses. Here, various level sequences built upon states of single-particle character have been observed, and an interpretation of these structures in the framework of the spherical shell model is presented. At moderate spins, two dipole bands have been observed and, based on their phenomenological study, a possible magnetic rotation character is suggested. However, theoretical calculations performed using the particle rotor model support magnetic rotation for only one of these dipole bands.

59 ≤ A ≤ 89↗
DOE OSTI2022

Model-independent determination of the dipole response of 66 Zn using quasimonoenergetic and linearly polarized photon beams

Background: Photon strength functions are an important ingredient in calculations relevant for the nucleosynthesis of heavy elements. The relation to the photoabsorption cross section allows to experimentally constrain photon strength functions by investigating the photoresponse of atomic nuclei. Purpose: Here, we determine the photoresponse of 66 Zn in the energy region of 5.6 MeV to 9.9 MeV and analyze the contribution of the 'elastic' decay channel back to the ground state. In addition, for the elastic channel electric and magnetic dipole transitions were separated. Methods: Nuclear resonance fluorescence experiments were performed using a linearly polarized quasi-monoenergetic photon beam at the High Intensity γ-ray Source. Photon beam energies from 5.6 to 9.9 MeV with an energy spread of about 3% were selected in steps of 200–300 keV. Two high purity germanium detectors were used for the subsequent γ-ray spectroscopy. Results: Full photoabsorption cross sections are extracted from the data making use of the monoenergetic character of the photon beam. For the ground-state decay channel, the average contribution of electric and magnetic dipole strengths is disentangled. The average branching ratio back to the ground state is determined as well. Conclusions: The new results indicate lower cross sections when compared to the values extracted from a former experiment using bremsstrahlung on 66 Zn. In the latter, the average branching ratio to the ground state is estimated from statistical-model calculations in order to analyze the data. Corresponding estimates from statistical-model calculations underestimate this branching ratio compared to the values extracted from the present analysis, which would partly explain the high cross sections determined from the bremsstrahlung data.

59 ≤ A ≤ 89↗
DOE OSTI2025

Electric dipole polarizability of 58 Ni

The electric dipole strength distribution in 58 Ni between 6 and 20 MeV has been determined from proton inelastic scattering experiments at very forward angles at RCNP, Osaka. The experimental data are rather well reproduced by quasiparticle random-phase approximation calculations including vibration coupling, despite a mild dependence on the adopted Skyrme interaction. They allow an estimate of the experimentally inaccessible high-energy contribution above 20 MeV, leading to an electric dipole polarizability α D ⁡ ( 58 Ni) = 3.48 (31)⁢ fm 3 . This serves as a test case for recent extensions of coupled-cluster calculations with chiral effective field theory interactions to nuclei with two nucleons on top of a closed-shell system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗