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DOE OSTI2023

Exact quantization and analytic continuation

In this paper we give a streamlined derivation of the exact quantization condition (EQC) on the quantum periods of the Schrödinger problem in one dimension with a general polynomial potential, based on Wronskian relations. We further generalize the EQC to potentials with a regular singularity, describing spherical symmetric quantum mechanical systems in a given angular momentum sector. We show that the thermodynamic Bethe ansatz (TBA) equations that govern the quantum periods undergo nontrivial monodromies as the angular momentum is analytically continued between integer values in the complex plane. The TBA equations together with the EQC are checked numerically against Hamiltonian truncation at real angular momenta and couplings, and are used to explore the analytic continuation of the spectrum on the complex angular momentum plane in examples.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Gauge-symmetrization method for energy-momentum tensors in high-order electromagnetic field theories

For electromagnetic field theories, canonical energy-momentum conservation laws can be derived from the underpinning spacetime translation symmetry according to the Noether procedure. However, the canonical energy-momentum tensors (EMTs) are neither symmetric nor gauge-symmetric (gauge invariant). The Belinfante-Rosenfeld (BR) method is a well-known procedure to symmetrize the EMTs, which also renders them gauge symmetric for first-order field theories. High-order electromagnetic field theories appear in the study of gyrokinetic systems for magnetized plasmas and the Podolsky system for the radiation reaction of classical charged particles. For these high-order field theories, gauge-symmetric EMTs are not necessarily symmetric and vice versa. In the present study, we develop a new gauge-symmetrization method for EMTs in high-order electromagnetic field theories. The Noether procedure is carried out using the Faraday tensor $F_{μν}$, instead of the 4-potential $A_{μ}$, to derive a canonical EMT $T^{μν}_{N}$. We show that the gauge-dependent part of $T^{μν}_{N}$ can be removed using the displacement-potential tensor $F^{σμν}$ ≡ $D^{σμ}A^{ν}/4π$, where $D^{σμ}$ is the antisymmetric electric displacement tensor. This method gauge-symmetrizes the EMT without necessarily making it symmetric, which is adequate for applications not involving general relativity. For first-order electromagnetic field theories, such as the standard Maxwell system, $F^{σμν}$ reduces to the familiar BR superpotential $S^{σμν}$, and the method developed can be used as a simpler procedure to calculate $S^{σμν}$ without employing the angular momentum tensor in 4D spacetime. When the electromagnetic system is coupled to classical charged particles, the gauge-symmetrization method for EMTs is shown to be effective as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Simulating Atomic Dark Matter in Milky Way Analogs

Dark sector theories naturally lead to multicomponent scenarios for dark matter where a subcomponent can dissipate energy through self-interactions, allowing it to efficiently cool inside galaxies. We present the first cosmological hydrodynamical simulations of Milky Way analogs where the majority of dark matter is collisionless cold dark matter (CDM) but a subcomponent (6%) is strongly dissipative minimal atomic dark matter (ADM). The simulations, implemented in GIZMO and utilizing FIRE-2 galaxy formation physics to model the standard baryonic sector, demonstrate that the addition of even a small fraction of dissipative dark matter can significantly impact galactic evolution despite being consistent with current cosmological constraints. We show that ADM gas with roughly standard model–like masses and couplings can cool to form a rotating “dark disk” with angular momentum closely aligned with the visible stellar disk. The morphology of the disk depends sensitively on the parameters of the ADM model, which affect the cooling rates in the dark sector. The majority of the ADM gas gravitationally collapses into dark “clumps” (regions of black hole or mirror star formation), which form a prominent bulge and a rotating thick disk in the central galaxy. These clumps form early and quickly sink to the inner ∼kiloparsec of the galaxy, affecting the galaxy’s star formation history and present-day baryonic and CDM distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1974

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

The photoelectron asymmetry parameter beta in LS-coupling is obtained as an expansion into contributions from alternative angular momentum transfers j sub t. The physical significance of this expansion of beta is shown to be that: (1) the electric dipole interaction transfers to the atom a charcteristic single angular momentum j sub t = sub o, where sub o is the photoelectron's initial orbital momentum; and (2) angular momentum transfers indicate the presence of anisotropic interaction of the outgoing photoelectron with the residual ion. For open shell atoms the photoelectron-ion interaction is generally anisotropic; photoelectron phase shifts and electric dipole matrix elements depend on both the multiplet term of the residual ion and the total orbital momentum of the ion-photoelectron final state channel. Consequently beta depends on the term levels of the residual ion and contains contributions from all allowed values of j sub t. Numerical calculations of the asymmetry parameters and partial cross sections for photoionization of atomic sulfur are presented.

Dill, D.↗

NASA NTRS1987

Dynamical mass transfer in cataclysmic binaries

When a binary comes into contact and mass transfer begins, orbital angular momentum is stored in the accretion disk until the disk couples tidally to the binary system. Taam and McDermott (1987) have suggested that this leads to unstable dynamical mass transfer in many cataclysmic variables in which mass transfer would otherwise be stable, and that it explains the gap between 2 and 3 h in the orbital period distribution of these systems. Here the consequences of this hypothesis for the evolution of cataclysmic binaries are explored. It is found that systems coming into contact longward of the period gap undergo one or more episodes of dynamical mass transfer.

Melia, Fulvio↗

DOE OSTI2023

A kinetic model for pure electron plasma compression via the rotating wall technique

An approximate model for pure electron plasma compression is developed for the case where the rotating wall (RW) electric field couples to the ${E}\times{B}$rotation and axial bounce motion of the electrons. The key assumption in the model is that, throughout the compression, the plasma remains in a slowly evolving thermal equilibrium defined by the plasma temperature and angular momentum. Linearized drift kinetic theory is employed to derive an expression for torque exerted by the RW field on the plasma through coupling to the resonant plasma particles, and averaging is used to find the torque that both compresses and heats the plasma. The evolution equations for the angular velocity and temperature of the plasma include the compression and heating from the torque and cooling from cyclotron radiation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Large magnon-induced anomalous Nernst conductivity in single-crystal MnBi

Thermoelectric modules are a promising approach to energy harvesting and efficient cooling. In addition to the longitudinal Seebeck effect, transverse devices utilizing the anomalous Nernst effect (ANE) have recently attracted interest. For high conversion efficiency, it is required that the material have a large ANE thermoelectric power and low electrical resistance, which lead to the conductivity of the ANE. ANE is usually explained in terms of intrinsic contributions from Berry curvature. Our observations suggest that extrinsic contributions also matter. Studying single-crystal manganese-bismuth (MnBi), we find a high ANE thermopower (~10 μV/K) under 0.6 T at 80 K, and a transverse thermoelectric conductivity of over 40 A/Km. With insight from theoretical calculations, we attribute this large ANE predominantly to a new advective magnon contribution arising from magnon-electron spin-angular momentum transfer. We propose that introducing a large spin-orbit coupling into ferromagnetic materials may enhance the ANE through the extrinsic contribution of magnons.

36 MATERIALS SCIENCE↗

NASA NTRS1976

Magnetic acceleration of winds from solar-type stars

The spin-down of solar type stars (F5 V to G3 V) is generally ascribed to the outflow of magnetized plasma in the form of a wind. Magnetically coupled stellar winds are thought to provide the dominant mechanism for angular momentum loss over the entire main-sequence lifetime of stars possessing hydrogen convective zones. The associated loss in rotational kinetic energy can strongly affect the energetics of winds emanating from such stars, for sufficiently high rotation rates and magnetic field strengths. In the present paper, an attempt is made to describe qualitatively how MHD plasma outflow from a rotating star adjusts itself to a broad range of stellar conditions, including fast, intermediate, and slow magnetic rotator configurations. Using the Weber and Davis (1967) model of MHD winds, it is shown that the magnetic deceleration of an MHD wind is of importance when the loss of rotational kinetic energy due to magnetic braking exceeds the energy flux due to thermal processes alone.

Belcher, J. W.↗

NASA NTRS2004

Long Period Variations in Tidal and Librational Forcing of Europa

The gravitational field of Jupiter exerts a profound influence on the energy balance, thermal evolution, and stress regime of Europa. It widely appreciated that dissipation associated with the spheroidal tidal deformation is a major source of heat. Another possibly important source of dissipation is the toroidal deformation field associated with forced librations. Both tidal and librational deformations depend on the distance and direction Jupiter, as seen from Europa. These quantities vary with time as a result of the finite values of orbital eccentricity and spin pole obliquity, though the obliquity effects have been ignored in most previous studies. Variations in eccentricity and obliquity of the Galilean satellites occur on a very wide range of time scales, as angular momentum is exchanged among the orbital and rotational components of the coupled system. The orbital periods are only a few days in length, and the secular changes in orbital period associated with tidal and librational dissipation have characteristic time scales of 10-9 years or longer. On intermediate time scales, the satellites perturb each other, and the Sun and Saturn make additional contributions. The present values of satellite orbital inclinations and obliquities are not particularly representative their respective longer term variations. As a result, the tidal stress and dissipation regimes at present may not provide adequate explanation of the sources of surface features seen on the satellites.

Bills, Bruce G.↗

NASA NTRS2019

Reassessment of Electromagnetic Core-Mantle Coupling and Its Implications to the Earth's Decadal Polar Motion

The observed Earth's polar motion on decadal time scales has long been conjectured to be excited by the exchange of equatorial angular momentum between the solid mantle and the fluid outer core, via the mechanism of electromagnetic (EM) core-mantle coupling. However, past estimations of the EM coupling torque from surface geomagnetic observations is too weak to account for the observed decadal polar motion. Our recent estimations from numerical geodynamo simulations have shown the opposite. In this paper, we re-examine in detail the EM coupling mechanism and the properties of the magnetic field in the electrically conducting lower mantle (characterized by a thin D″-layer at the base of the mantle). Our simulations find that the toroidal field in the D″-layer from the induction and convection of the toroidal field in the outer core could be potentially much stronger than that from the advection of the poloidal field in the outer core. The former, however, cannot be inferred from geomagnetic observations at the Earth's surface, and is missing in previous EM torque estimated from geomagnetic observations. Our deduction suggests further that this field could make the actual EM coupling torque sufficiently strong, at approximately 5 × 10(exp 19) Nm, to excite, and hence explain, the decadal polar motion to magnitude of approximately 10 mas.

Kuang, Weijia↗

NASA NTRS1978

Quantum-mechanical theory including angular momenta analysis of atom-atom collisions in a laser field

The problem of two atoms colliding in the presence of an intense radiation field, such as that of a laser, is investigated. The radiation field, which couples states of different electronic symmetry, is described by the number state representation while the electronic degrees of freedom (plus spin-orbit interaction) are discussed in terms of a diabatic representation. The total angular momentum of the field-free system and the angular momentum transferred by absorption (or emission) of a photon are explicitly considered in the derivation of the coupled scattering equations. A model calculation is discussed for the Xe + F collision system.

Devries, P. L.↗

NASA NTRS1975

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

A summary of the angular momentum transfer formulation of the differential photoionization cross section is presented and photoionization amplitudes in LS coupling are considered. The application of the theoretical concepts and relations developed is illustrated with the aid of an example involving the calculation of the angular distribution of photoelectrons ionized from atomic sulfur according to a certain reaction. The investigation shows that anisotropic electron-ion interactions in atomic sulfur lead to measurable differences between photoelectron angular distribution asymmetry parameters corresponding to alternative ionic term levels.

Dill, D.↗

DOE OSTI2020

Sneezing and asymptomatic virus transmission

The novel coronavirus disease (COVID-19) spread pattern continues to show that geographical barriers alone cannot contain a virus. Asymptomatic carriers play a critical role in the nature of this virus quickly escalating into a global pandemic. Asymptomatic carriers may transmit the virus unintentionally through sporadic sneezing. A novel Computational Fluid Dynamics (CFD) approach has been proposed with a realistic modeling of a human sneeze achieved by the combination of state-of-the-art experimental and numerical methods. This modeling approach may be suitable for future engineering analyses aimed at reshaping public spaces and common areas, with the main objective to accurately predict the spread of aerosol and droplets that may contain pathogens. This study shows that the biomechanics of a human sneeze, including complex muscle contractions and relaxations, can be accurately modeled by the angular head motion and the dynamic pressure response during sneezing. These have been considered as the human factors and were implemented in the CFD simulation by imposing a momentum source term to the coupled Eulerian–Lagrangian momentum equations. The momentum source was modeled by the measured dynamic pressure response in conjunction with the angular head motion. This approach eliminated the need to create an ad hoc set of inlet boundary conditions. With this proposed technique, it is easier to add multiple fixed and/or moving sources of sneezes in complex computational domains. Additionally, extensive sensitivity analyses based on different environmental conditions were performed, and their impact was described in terms of potential virus spread.

42 ENGINEERING↗

NASA NTRS1986

Earth rotation as a proxy for interannual variability in atmospheric circulation, 1860-present

Modern atmospheric and geodetic data sets have demonstrated that changes in the axial component of the atmosphere's angular momentum and in the rotation rate of the solid earth are closely coupled on time scales of up to several years. The feasibility of using a historical record of the earth's rotation as a proxy for year-to-year changes in the zonal wind field over the globe is examined. The bulk of the earth rotation series acquired for this purpose is based on telescopic observations of the occultation of stars by the moon; semiannual values of changes in the length of day derived from these observations have acceptably small errors from about 1860 onwards. These values are filtered to remove decade-scale fluctuations, which are driven primarily by nonatmospheric processes, and the resulting proxy series is examined to see if it contains a signal associated with one of the major modes of interannual variability in the atmosphere, namely that due to the El Nino/Southern Oscillation (ENSO). According to tests of statistical significance, such a signal is present in the historical earth rotation series, in that the day is typically longer during the year following an ENSO oceanic warm event than otherwise. Therefore other signals of interannual variability in the proxy series are considered. In particular, it is inferred that noteworthy trends in atmospheric interannual variability have occurred over the last century; for example, the decade of the 1920s was marked by much larger year-to-year changes in the zonal circulation over the globe than that of the 1940s. Based on modern atmospheric data, it is suggested that most of these circulation changes have resulted from anomalies in the region between 30 deg N and 30 deg S.

Salstein, David A.↗

DOE OSTI2020

Nature of Hyperfine Interactions in TbPc 2 Single-Molecule Magnets: Multiconfigurational Ab Initio Study

Lanthanide-based single-ion magnetic molecules can have large magnetic hyperfine interactions as well as large magnetic anisotropy. Recent experimental studies reported tunability of these properties by changes of chemical environments or by application of external stimuli for device applications. In order to provide insight onto the origin and mechanism of such tunability, here we investigate the magnetic hyperfine and nuclear quadrupole interactions for a 159 Tb nucleus in TbPc 2 (Pc = phthalocyanine) single-molecule magnets using multiconfigurational ab initio methods including spin–orbit interaction. Since the electronic ground and first-excited (quasi)doublets are well separated in energy, the microscopic Hamiltonian can be mapped onto an effective Hamiltonian with an electronic pseudospin S = 1/2. From the ab initio calculated parameters, we find that the magnetic hyperfine coupling is dominated by the interaction of the Tb nuclear spin with electronic orbital angular momentum. The asymmetric 4f-like electronic charge distribution leads to a strong nuclear quadrupole interaction with significant transverse terms for the molecule with low symmetry. The ab initio calculated electronic–nuclear spectrum including the magnetic hyperfine and quadrupole interactions is in excellent agreement with the experiment. We further find that the transverse quadrupole interactions significantly influence the avoided level crossings in magnetization dynamics and that the molecular distortions affect mostly the Fermi contact terms as well as the transverse quadrupole interactions. Synopsis Hyperfine interactions for 159 Tb nucleus in TbPc 2 single-molecule magnets are investigated from first-principles using multiconfigurational calculations. Strong nuclear quadrupole and magnetic hyperfine coupling are found, with the latter being dominated by the paramagnetic spin-orbital mechanism. Furthermore, we construct an ab initio pseudospin Hamiltonian and obtain the electronic-nuclear spectrum that is in excellent agreement with experiment. The Zeeman diagram is calculated, and the magnetization dynamics is discussed. The effects of molecular distortions are researched.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

$\testit{d}$-wave superconductivity and Bogoliubov-Fermi surfaces in Rarita-Schwinger-Weyl semimetals

In this work, we uncover the properties of complex tensor ($\textit{d}$-wave) superconducting order in three-dimensional Rarita-Schwinger-Weyl semimetals that host pseudospin-$\frac{3}{2}$ fermions at a fourfold linear band-crossing point. Although the general theory of $\textit{d}$-wave order was originally developed for materials displaying quadratic band touching, it directly applies to the case of semimetals with linear dispersion, several candidate compounds of which have been discovered experimentally very recently. The spin-$\frac{3}{2}$ nature of the fermions allows for the formation of spin-2 Cooper pairs which may be described by a complex second-rank tensor order parameter. In the case of linear dispersion, for the chemical potential at the Fermi point and at strong coupling, the energetically preferred superconducting state is the uniaxial nematic state, which preserves time-reversal symmetry and provides a full (anisotropic) gap for quasiparticle excitations. In contrast, at a finite chemical potential, we find that the usual weak-coupling instability is toward the “cyclic state,” well known from the studies of multicomponent Bose-Einstein condensates, which breaks time-reversal symmetry maximally, has vanishing average value of angular momentum, and features 16 small Bogoliubov-Fermi surfaces. The Rarita-Schwinger-Weyl semimetals provide therefore the first example of weakly coupled, three-dimensional, isotropic $\textit{d}$-wave superconductors where the $\textit{d}$-wave superconducting phase is uniquely selected by the quartic expansion of the mean-field free energy, and is not afflicted by the accidental degeneracy first noticed by Mermin over 40 years ago. We discuss the appearance and stability of the Bogoliubov-Fermi surfaces in absence of inversion symmetry in the electronic Hamiltonian, as in the case at hand.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Combining Spin-Seebeck and Nernst Effects in Aligned MnBi/Bi Composites

The spin-Seebeck effect (SSE) is an advective transport process traditionally studied in bilayers composed of a ferromagnet (FM) and a non-magnetic metal (NM) with strong spin-orbit coupling. In a temperature gradient, the flux of magnons in the FM transfers spin-angular momentum to electrons in the NM, which by the inverse spin-Hall effect generates an SSE voltage. In contrast, the Nernst effect is a bulk transport phenomenon in homogeneous NMs or FMs. These effects share the same geometry, and we show here that they can be added to each other in a new combination of FM/NM composites where synthesis via in-field annealing results in the FM material (MnBi) forming aligned needles inside an NM matrix with strong spin-orbit coupling (SOC) (Bi). Through examination of the materials’ microstructural, magnetic, and transport properties, we searched for signs of enhanced transverse thermopower facilitated by an SSE contribution from MnBi adding to the Nernst effect in Bi. Our results indicate that these two signals are additive in samples with lower MnBi concentrations, suggesting a new way forward in the study of SSE composite materials.

36 MATERIALS SCIENCE↗

NASA NTRS1997

On the Role of Resonances in Nonradial Pulsators

Resonances or near resonances are ubiquitous among the excited nonradial pulsation modes of variable stars and they must play an important role in determining their pulsational behavior. Here in a first step at nonlinear asteroseismology, we explore some of the consequences of resonances by means of the amplitude equation formalism. We show how parity and angular momentum constraints can be used to eliminate many of the possible nonlinear resonant couplings between modes (and multiplets of modes), and how the amplitude equations can thus be simplified. Even when we may not be able, nor wish, to make an ab initio computation of the values of the coupling coefficients, it is still possible to obtain constraints on the nature of the excited modes if a resonance between observed frequencies can be identified. Resonances can cause nonlinear frequency locking of modes. This means that the observed frequencies appear in exact resonance even though the linear frequencies are only approximately in resonance. The nonlinear frequency lock, when it occurs, it does so over a range of departures from linear resonance, and it is accompanied by constant pulsation amplitudes. The locked, nonlinear frequencies can differ noticeably from their nonresonant counterparts which are usually used in seismology. This is particularly true for multiplets of modes split by rotation. Beyond the regime of the frequency lock, amplitude and frequency modulations can appear in the pulsations. Far from the resonance condition one recovers the regime of steady pulsations with nonresonant frequencies for which the seismological studies, as they are presently carried out, are justified (provided furthermore, of course, that nonlinear frequency shifts are negligible). Success in identifying a resonance in an observed power spectrum depends on the quality of the data. While keeping this limitation in mind, ew discuss the possible existence of peculiar resonances the pulsations specific variable white dwarfs and delta Scuti stars.

Buchler, J. R.↗