Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “relativistic effects”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets

We present a model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracted Gaussian orbital basis set (OBS). The MADF algorithm produces DFBSs suitable for accurate robust DF approximation of 2-particle interactions in mean-field and correlated electronic structures. The algorithm is designed to (a) saturate the OBS product space by a large regularized set of primitive solid-harmonic Gaussian shells with nonuniform distribution of exponents, followed by (b) pruning of the shells according to their contributions to the 2- body energy of a correlated atomic ensemble. Building the DFBS generator model almost exclusively on mathematical and physical principles allows one to limit the number of parameters that control the density fitting error to three, with a single set of parameters sufficient for computations with all basis cardinal numbers, with and without correlation of core electrons, with and without scalar and spin-dependent relativistic effects, spanning almost all of the Periodic Table. Performance assessment included basis sets up to quadruple-ζ quality from several major basis set families, using molecules composed of main-group, d-block, and f-block elements. The resulting DF errors in Hartree−Fock and second-order MP2 energies (with relativistic all-electron treatments, when appropriate) were on the order of 20 and 10 μE h per electron, respectively.

Approximation↗
DOE OSTI2021

Physics of the Inverted Harmonic Oscillator: From the lowest Landau level to event horizons

In this work, we present the inverted harmonic oscillator (IHO) Hamiltonian as a paradigm to understand the quantum mechanics of scattering and time-decay in a diverse set of physical systems. As one of the generators of area preserving transformations, the IHO Hamiltonian can be studied as a dilatation generator, squeeze generator, a Lorentz boost generator, or a scattering potential. In establishing these different forms, we demonstrate the physics of the IHO that underlies phenomena as disparate as the Hawking–Unruh effect and scattering in the lowest Landau level (LLL) in quantum Hall systems. We derive the emergence of the IHO Hamiltonian in the LLL in a gauge invariant way and show its exact parallels with the Rindler Hamiltonian that describes quantum mechanics near event horizons. This approach of studying distinct physical systems with symmetries described by isomorphic Lie algebras through the emergent IHO Hamiltonian enables us to reinterpret geometric response in the lowest Landau level in terms of relativistic effects such as Wigner rotation. Further, the analytic scattering matrix of the IHO points to the existence of quasinormal modes (QNMs) in the spectrum, which have quantized time-decay rates. We present a way to access these QNMs through wave packet scattering, thus proposing a novel effect in quantum Hall point contact geometries that parallels those found in black holes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1985

Hydrogen-like atoms on the surface of neutron stars - Intense magnetic field effects

It is known that very strong (greater than 1-TG) magnetic fields exist on the surface of some neutron stars. The properties of atoms in fields of this nature are considerably different from those of atoms in field-free regions. Because of the mixing of spherical and cylindrical symmetries, the analytical solution to the problem of a hydrogen atom in a uniform magnetic field is impossible to obtain. In this work, a variational wave function is used to describe the properties of hydrogen like atoms in intense magnetic fields including first-order relativistic effects. Special attention is given to the transition matrix elements for the 2p(0) - 1s(0) transition in Fe XXVI.

Williams, A. C.↗
NASA NTRS1985

Electromagnetic particle simulation codes

Electromagnetic particle simulations solve the full set of Maxwell's equations. They thus include the effects of self-consistent electric and magnetic fields, magnetic induction, and electromagnetic radiation. The algorithms for an electromagnetic code which works directly with the electric and magnetic fields are described. The fields and current are separated into transverse and longitudinal components. The transverse E and B fields are integrated in time using a leapfrog scheme applied to the Fourier components. The particle pushing is performed via the relativistic Lorentz force equation for the particle momentum. As an example, simulation results are presented for the electron cyclotron maser instability which illustrate the importance of relativistic effects on the wave-particle resonance condition and on wave dispersion.

Pritchett, P. L.↗
NASA NTRS1994

Low-frequency modes and nonbarotropic effects in pseudo-Newtonian accretion disks

A recently developed formalism is used to reexamine the question of the existence of hydrodynamical modes that pulsate with very low frequencies in the inner regions of accretion disks. The formalism is valid in an exact sense for the adiabatic pulsations of rotating Newtonian fluids that are generally nonbarotropic (such as those with 'nonadiabatic temperature gradients,' for example), and hence its application in the present context represents an improvement over previous analyses that are more approximate. The formalism is applied to thin non-self-gravitating disks, with the gravitational potential of the central source modified in the usual way in order to simulate relativistic effects. In the barotropic limit, the analyses indicate that in many cases nearly Keplerian disks exhibit nonaxisymmetric modes of pulsation that are trapped in the inner disk regions, with pulsation periods much longer than the dynamical timescale. These results are similar to those of earlier calculations that assume disks pulsate without changing the temperature distribution. A method is developed for including lowest order nonbarotropic effects. Previous analyses have been incapable of accurately treating the nonbarotropic regime. The application of the present method to the low-frequency modes reveals that, due to unexpected cancellations among terms, the nonbarotropic correction to the pusation frequency omega is only of order tilde-omega(sub BV exp 2) omega, where tilde-omega(sub BV) is the appropriate dimensionless Brunt-Vaisala frequency. This correction is much smaller than the expected correction of order tilde-omega(sub BV) Omega, where Omega is the rotation angular velocity. The important conclusion drawn from this is that nonbarotropic corrections are generally small and hence that low-frequency modes persist into the nonbarotropic regime. For disk temperatures appropriate to X-ray emission, the adiabatic frequencies of trapped modes are of the same order as the frequencies associated with quasi-periodic oscillations (QPOs) of certain low-mass X-ray binaries and other X-ray sources. It is suggested that further consideration be given to the possiblity that modulation of emission processes by these modes can explain at least some of the QPO phenomena.

Ipser, James R.↗
DOE OSTI2023

Linear analysis of the Kelvin–Helmholtz instability in relativistic magnetized symmetric flows

ABSTRACT We study the linear stability of a planar interface separating two fluids in relative motion, focusing on the symmetric configuration where the two fluids have the same properties (density, temperature, magnetic field strength, and direction). We consider the most general case with arbitrary sound speed cs, Alfvén speed vA, and magnetic field orientation. For the instability associated with the fast mode, we find that the lower bound of unstable shear velocities is set by the requirement that the projection of the velocity on to the fluid-frame wavevector is larger than the projection of the Alfvén speed on to the same direction, i.e. shear should overcome the effect of magnetic tension. In the frame where the two fluids move in opposite directions with equal speed v, the upper bound of unstable velocities corresponds to an effective relativistic Mach number $M_{\rm re}\equiv v/v_{\rm {f}\perp }\sqrt{(1-v_{\rm {f}\perp }^2)/(1-v^2)} \cos \theta =\sqrt{2}$, where $v_{\rm {f}\perp }=[v_{\rm {A}}^2+c_{\rm s}^2(1-v_{\rm {A}}^2)]^{1/2}$ is the fast speed assuming a magnetic field perpendicular to the wavevector (here, all velocities are in units of the speed of light), and θ is the laboratory-frame angle between the flow velocity and the wavevector projection on to the shear interface. Our results have implications for shear flows in the magnetospheres of neutron stars and black holes – both for single objects and for merging binaries – where the Alfvén speed may approach the speed of light.

Astronomy & Astrophysics↗
DOE OSTI2021

Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures

In this paper, we report reimplementation of the core algorithms of relativistic coupled cluster theory aimed at modern heterogeneous high-performance computational infrastructures. The code is designed for parallel execution on many compute nodes with optional GPU coprocessing, accomplished via the new ExaTENSOR back end. The resulting ExaCorr module is primarily intended for calculations of molecules with one or more heavy elements, as relativistic effects on the electronic structure are included from the outset. In the current work, we thereby focus on exact two-component methods and demonstrate the accuracy and performance of the software. The module can be used as a stand-alone program requiring a set of molecular orbital coefficients as the starting point, but it is also interfaced to the DIRAC program that can be used to generate these. We therefore also briefly discuss an improvement of the parallel computing aspects of the relativistic self-consistent field algorithm of the DIRAC program.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Batse Triggered Observations of Galactic Superluminal Sources GROJ1655-40

We have analyzed multiwavelength data of galactic superluminal sources including GROJ1655-40. Currently there are thirteen X-ray binaries, in which the masses of the invisible and compact objects have been determined to be much higher than three solar masses, the well-known upper limit to the mass of a neutron star. Because no stable and compact objects are believed to exist above this limit, these compact objects are consequently considered as stellar mass black holes, though clean evidence of strong gravity effects around the assumed black holes is very rare. From optical and radio observations, their system inclination angles have been determined to range between 25 degrees and 80 degrees, but peaked between 60-70 degrees. This peak is not explained in the frame work of Newtonian gravity in these systems. However, this peak is reproduced naturally if we model the observed X-ray radiation as being produced in the accretion disks very close to the black hole horizons, where the extremely strong general and special relativistic effects, caused by the extremely strong gravity near the black hole horizons, modify the local radiation significantly as the X-rays propagate to the remote observer.

Zhang, Shuang Nan↗
DOE OSTI2024

The Uranium-Containing and Thorium-Containing Anions Studied by Photoelectron Spectroscopy

An in-depth knowledge of actinide chemistry is fundamental to many aspects of nuclear science and technology, including the synthesis and processing of materials and the remediation of waste disposal sites. Among the actinides, the chemical bonding behaviors of actinium and thorium resemble those of the transition metals; the 5f-electrons of protactinium, uranium, neptunium, and plutonium often play important roles in their bonding; and among the still heavier elements, their bonding tends to mimic the lanthanide elements in terms of electron shielding and their f-electron contributions. Bonding that involves 5f-electrons, however, is especially important, in part because of the significance of uranium and plutonium, but also because these elements are among the few where f-electron participation in bonding is relatively common. This work focused on studying uranium-containing and thorium-containing anions in the gas phase using negative ion photoelectron spectroscopy. Since this technique directly probed valence electrons, it was uniquely positioned to address open questions regarding molecular bonding and electron configurations. A particularly important issue concerned how bonding in actinide-containing molecules was affected by modifications to their actinide atoms’ environment, i.e., due to their interaction with ligands. A closely related question was how actinide atoms’ suborbitals were qualitatively reordered and their energies quantitatively shifted as a result of their ligated environments. These were especially relevant issues in regard to uranium due to it having multiple possible oxidation states (OS) and the potential for 5f electron participation in bonding. The effects of ligands on oxidation states and 5f-orbital energies in uranium bonding was expected to be pronounced. Both ligands and excess electrons were seen as probes of actinide atoms within actinide-containing molecules. Our strategy for advancing knowledge of chemical bonding in the actinide-containing species utilized the synergy between experiments and theory, where in some cases experimental results validated theory and where in others computational results assisted in interpreting experiments. Calculations on actinide systems are terrifically challenging due to large spin-orbit interactions, relativistic effects, and just the sheer number of electrons involved. Even in the simplest species, e.g., U and U2, the most sophisticated, modern calculations carried out by the most experienced theorists often only approximate experimentally-measured values, such as electron affinities. For theory to provide confident predictions that can be used to solve real problems it needed an iterative and ultimately corrective mechanism by which its methods can develop further. Experiments can be used to identify when theory has failed; whereupon the subsequent process of using the experiment-theory interplay can be used to find the cause of the failure. Upon fixing it in one case, different test species can be proposed and studied by the experiment-theory combination to determine whether the problem has been corrected. Thus, experiments not only measure the values of molecular properties, they also provide navigational 3 beacons that keep computations off the reefs in an otherwise dark sea with few reference points. Experimental measurements in the actinide field are not only important, they are in actuality essential to computational progress. While it was not always possible to compare the theoreticallydetermined quantity of interest directly with the same experimentally-measured observable, it was usually possible to compare consequential properties that are both calculable and measurable. In the work completed here electron affinities and electronic state spacings were often sensitive consequential parameters. Reasonable agreement between measured and computational values signaled that a calculation that was very likely to be on-track. We had established collaborative relationships with five computational groups, all of which have expertise in computational actinide chemistry. Their PI’s are L. Cheng, D. Dixon, L. Gagliardi, K. Peterson, and B. Vlaisavljevich. Our close interaction with our theory partners led to us suggesting systems to them and them to us. This reciprocal interaction between our experimental and their computational results was among the most important strengths of this work and was a thread woven throughout. Even though anion photoelectron spectroscopic studies are conducted on anions, much of the information that they provide, pertains to the electronic structure of the neutral counterparts of those anions; among these are electron affinities and electronically excited state spacings. Our experimental tools included several specialized ion sources for forming the anionic species of interest, a mass spectrometer for identifying and mass-selecting them, and an anion photoelectron spectrometer for determining their electron affinities (EA) and characterizing the electronic states of the selected anions’ neutral counterparts. Anion photoelectron spectroscopy is conducted by crossing a mass-selected beam of anions with a fixed-frequency laser beam and energy-analyzing the resultant photodetached electrons. The photodetachment process is governed by the energyconserving relationship: hν = EBE + EKE, where hν is the photon’s energy, EBE is the electron binding (photodetachment transition) energy, and EKE is the electron’s kinetic energy. In our apparatus mass-selection is accomplished via time-of-flight mass spectrometry (TOF-MS), electron energy analysis is achieved with either a magnetic bottle or by velocity mapped imaging. Photodetachment of electrons from anions is implemented via either Nd:YAG or excimer lasers. The photodetachment transition energy, i.e., the EBE, between the ground vibrational and electronic state of an anion and the ground vibrational and electronic state of that anion’s neutral counterpart is the adiabatic electron affinity (EA) of that neutral molecule. Likewise, photodetachment transitions between the ground vibrational and electronic state of an anion and the various electronically-excited states of that anion’s corresponding neutral map the electronic spectrum of that neutral species, i.e., the spectral spacings in the photoelectron spectrum are a mirror image of the neutral’s electronic spectrum. It was, of course, crucial to be able to form the anionic species of interest. There, we had a particularly broad field of anion sources from which to choose. These included several variants of pulsed laser vaporization (LV), laser photoemission, infrared desorption plus photoemission, pulsed arc discharge (PACIS), electrospray ionization (ESI), and Rydberg electron transfer (RET). Each of these anion sources were readily combined with, i.e., connected to, the anion photoelectron spectroscopic portion of our apparatus as described above. Among the sources that utilize lasers, visible light for LV sources as well as IR for desorption sources are provided by Nd:YAG lasers. Ultraviolet photons are provided by both Nd:YAG and excimer lasers, whereas the excitation wavelengths for RET experiments come from two Nd:YAG-pumped dye lasers.

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

Photoelectron spectroscopy of cryogenically cooled NiO 2 – via slow photoelectron velocity-map imaging

In this work, high-resolution anion photoelectron spectra of cryogenically cooled NiO 2 – anions, obtained using slow photoelectron velocity-map imaging (cryo-SEVI), are presented in tandem with coupled cluster electronic structure calculations including relativistic effects. The experimental spectra encompass the $\tilde{\text{X}}^1Σ_{\text{g}}^+ ← \tilde{\text{X}}^2Π_{\text{g}}, ã^3Π{\text{g}} ← \tilde{\text{X}}^2Π_{\text{g}}$, and $\tilde{\text{A}}^1Π_{\text{g}} ← \tilde{\text{X}}^2Π_{\text{g}}$ photodetachment transitions of linear ONiO 0/– , revealing previously unobserved vibrational structure in all three electronic bands. The high-resolution afforded by cryo-SEVI allows for the extraction of vibrational frequencies for each state, consistent with those previously measured in the ground state and in good agreement with scalar-relativistic coupled-cluster calculations. Previously unobserved vibrational structure is observed in the $ã^3Π_{\text{g}}$ and $Ã^1Π_{\text{g}}$ states and is tentatively assigned. Further, a refined electron affinity of 3.0464(7) eV for NiO 2 is obtained as well as precise term energies for the ã and à states of NiO 2 of 0.3982(7) and 0.7422(10) eV, respectively. Numerous Franck–Condon forbidden transitions involving the doubly degenerate $ν_2$ bending mode are observed and ascribed to Herzberg-Teller coupling to an excited electronic state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dark Energy Survey Year 3 results: Constraints on extensions to Λ CDM with weak lensing and galaxy clustering

We constrain six possible extensions to the Λ cold dark matter (CDM) model using measurements from the Dark Energy Survey’s first three years of observations, alone and in combination with external cosmological probes. The DES data are the two-point correlation functions of weak gravitational lensing, galaxy clustering, and their cross-correlation. We use simulated data vectors and blind analyses of real data to validate the robustness of our results to astrophysical and modeling systematic errors. In many cases, constraining power is limited by the absence of theoretical predictions beyond the linear regime that are reliable at our required precision. The Λ CDM extensions are dark energy with a time-dependent equation of state, nonzero spatial curvature, additional relativistic degrees of freedom, sterile neutrinos with eV-scale mass, modifications of gravitational physics, and a binned σ 8 ( z ) model which serves as a phenomenological probe of structure growth. For the time-varying dark energy equation of state evaluated at the pivot redshift we find ( w p , w a ) = ( - 0.9 9 - 0.17 + 0.28 , - 0.9 ± 1.2 ) at 68% confidence with z p = 0.24 from the DES measurements alone, and ( w p , w a ) = ( - 1.0 3 - 0.03 + 0.04 , - 0. 4 - 0.3 + 0.4 ) with z p = 0.21 for the combination of all data considered. Curvature constraints of Ω k = 0.0009 ± 0.0017 and effective relativistic species N eff = 3.1 0 - 0.16 + 0.15 are dominated by external data, though adding DES information to external low-redshift probes tightens the Ω k constraints that can be made without cosmic microwave background observables by 20%. For massive sterile neutrinos, DES combined with external data improves the upper bound on the mass m eff by a factor of 3 compared to previous analyses, giving 95% limits of ( Δ N eff , m eff ) ≤ ( 0.28 , 0.20 eV ) when using priors matching a comparable Planck analysis. For modified gravity, we constrain changes to the lensing and Poisson equations controlled by functions Σ ( k , z ) = Σ 0 Ω Λ ( z ) / Ω Λ , 0 and μ ( k , z ) = μ 0 Ω Λ ( z ) / Ω Λ , 0 , respectively, to Σ 0 = 0. 6 - 0.5 + 0.4 from DES alone and ( Σ 0 , μ 0 ) = ( 0.04 ± 0.05 , 0.0 8 - 0.19 + 0.21 ) for the combination of all data, both at 68% confidence. Overall, we find no significant evidence for physics beyond Λ CDM .

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1998

Helioseismic Constraints on New Solar Models from the MoSEC Code

Evolutionary solar models are computed using a new stellar evolution code, MOSEC (Modular Stellar Evolution Code). This code has been designed with carefully controlled truncation errors in order to achieve a precision which reflects the increasingly accurate determination of solar interior structure by helioseismology. A series of models is constructed to investigate the effects of the choice of equation of state (OPAL or MHD-E, the latter being a version of the MHD equation of state recalculated by the author), the inclusion of helium and heavy-element settling and diffusion, and the inclusion of a simple model of mixing associated with the solar tachocline. The neutrino flux predictions are discussed, while the sound speed of the computed models is compared to that of the sun via the latest inversion of SOI-NMI p-mode frequency data. The comparison between models calculated with the OPAL and MHD-E equations of state is particularly interesting because the MHD-E equation of state includes relativistic effects for the electrons, whereas neither MHD nor OPAL do. This has a significant effect on the sound speed of the computed model, worsening the agreement with the solar sound speed. Using the OPAL equation of state and including the settling and diffusion of helium and heavy elements produces agreement in sound speed with the helioseismic results to within about +.-0.2%; the inclusion of mixing slightly improves the agreement.

Elliott, J. R.↗
NASA NTRS2002

Computational Relativistic Astrophysics Using the Flow Field-Dependent Variation Theory

We present our method for solving general relativistic nonideal hydrodynamics. Relativistic effects become pronounced in such cases as jet formation from black hole magnetized accretion disks which may lead to the study of gamma-ray bursts. Nonideal flows are present where radiation, magnetic forces, viscosities, and turbulence play an important role. Our concern in this paper is to reexamine existing numerical simulation tools as to the accuracy and efficiency of computations and introduce a new approach known as the flow field-dependent variation (FDV) method. The main feature of the FDV method consists of accommodating discontinuities of shock waves and high gradients of flow variables such as occur in turbulence and unstable motions. In this paper, the physics involved in the solution of relativistic hydrodynamics and solution strategies of the FDV theory are elaborated. The general relativistic astrophysical flow and shock solver (GRAFSS) is introduced, and some simple example problems for computational relativistic astrophysics (CRA) are demonstrated.

Richardson, G. A.↗
NASA NTRS2000

Gravitational Physics Research

Gravitational physics research at ISPAE is connected with NASA's Relativity Mission (Gravity Probe B (GP-B)) which will perform a test of Einstein's General Relativity Theory. GP-B will measure the geodetic and motional effect predicted by General Relativity Theory with extremely stable and sensitive gyroscopes in an earth orbiting satellite. Both effects cause a very small precession of the gyroscope spin axis. The goal of the GP-B experiment is the measurement of the gyroscope precession with very high precision. GP-B is being developed by a team at Stanford University and is scheduled for launch in the year 2001. The related UAH research is a collaboration with Stanford University and MSFC. This research is focussed primarily on the error analysis and data reduction methods of the experiment but includes other topics concerned with experiment systems and their performance affecting the science measurements. The hydrogen maser is the most accurate and stable clock available. It will be used in future gravitational physics missions to measure relativistic effects such as the second order Doppler effect. The HMC experiment, currently under development at the Smithsonian Astrophysical Observatory (SAO), will test the performance and capability of the hydrogen maser clock for gravitational physics measurements. UAH in collaboration with the SAO science team will study methods to evaluate the behavior and performance of the HMC. The GP-B data analysis developed by the Stanford group involves complicated mathematical operations. This situation led to the idea to investigate alternate and possibly simpler mathematical procedures to extract the GP-B measurements form the data stream. Comparison of different methods would increase the confidence in the selected scheme.

Wu, S. T.↗
NASA NTRS2009

Misaligned Spin and Orbital Axes Cause the Anomalous Precession of DI Herculis

In this case we applied our Rossiter-McLaughlin methodology to a binary star, rather than a star-planet system. The orbits of binary stars precess as a result of general relativistic effects, forces arising from the asphericity of the stars, and forces from any additional stars or planets in the system. For most binaries, the theoretical and observed precession rates are in agreement. However, one system known as DI Herculis has resisted explanation for 30 years. The observed precession rate is a factor of four slower than the theoretical rate, a disagreement that once was interpreted as evidence for a failure of general relativity. Among the contemporary explanations are the existence of a circumbinary planet and a large tilt of the stellar spin axes with respect to the orbit. In this paper we reported that both stars of DI Herculis rotate with their spin axes nearly perpendicular to the orbital axis (contrary to the usual assumption for close binary stars). The rotationally induced stellar oblateness causes precession in the direction opposite to that of relativistic precession, thereby reconciling the theoretical and observed rates.

Albrecht, Simon↗
DOE OSTI2023

Anomalous Hall effect in conical helimagnetic crystals

Spin-spiral texture can substantially change charge transport properties in helimagnets. Here we find the anomalous Hall effect (AHE) exhibiting the dramatic behavior with respect to chemical potential μ in conical magnetic structures. The direct conductivity demonstrates kinks, and the anomalous Hall current exhibits minima and maxima changing the sign. We analytically derive the expression for energy bands and eigenstates in the most general case. Because of the conical potential, the energy bands are split into two nonparabolic bands where the lower band can have one- or two-minima shapes in the k z direction ($\hat{z}$ is a direction of the spiral axis). We prove that the origin of the anomalous Hall effect is not topological and is due to the interplay between the asymmetry of energy bands in the x and z directions and spin restrictions in the phase space due to the conical potential. We also investigate the dependence of transport properties on cone half- angle θ, and find that the effects are most pronounced at θ=π/2 (a helical state). Electric current is calculated using the Boltzmann equation where the relaxation is caused by electron-acoustic phonon interaction. The transition probability is found to be a 2×2 matrix with nonvanishing off-diagonal elements indicating the strong interband transitions. The origin of interband transitions is because of the nature of the conical potential where conduction electron spins interact with localized magnetic moments. To verify the proposed theory, we calculate the temperature dependence of resistivity for MnSi crystals and find the discontinuity at the phase transition between conical and paramagnetic phases. The calculations are in the excellent agreement with the experimental data. In addition, we predict the discontinuity behavior for the anomalous Hall resistivity at the phase transition where the resistivity exhibits the abrupt change at T=T C , (a) to zero if the relativistic effects for the conduction electrons are small or (b) to a nonzero value if Rashba/Dresselhaus effects are taken into account.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Resonant x-ray emission across the L 3 edge of uranium compounds

A narrow bandwidth x-ray beamline and a multi-crystal von Hamos spectrometer were used to record x-ray absorption and x-ray emission (XES) across the uranium L 3 edge of UO 2 , UO 3 , Cs 2 UO 2 Cl 4 , and Cs 2 UCl 6 . Measurements were made over 17150–17250 eV with an instrumental resolution of ∼2 eV. This resolution allowed the use of Lorentzian peak fits to the L 3 N 4 and L 3 N 5 characteristic x-ray fluorescence lines that have ∼12–13 eV lifetime widths. The fluorescence yields of the four compounds display strong white lines near threshold and multiple scattering features at higher energies. The XES spectra were fit with three Lorentzians, two for the L 3 N 4 and L 3 N 5 lines and one for inelastic scattering by 2p–6d excitations and 4d–6d final states. The intensities of the white lines were largely due to the inelastic scattering component. To support the measurements, relativistic equation-of-motion coupled-cluster and restricted active space configuration interaction calculations were performed for uranium core-excitation energies in Cs 2 UO 2 Cl 4 and Cs 2 UCl 6 . These calculations with rigorous treatments of relativistic effects are shown to provide accurate uranium L 3 -edge binding energies, L 3 N 5 emission energies, as well as the energy losses in the inelastic scattering process. The measured and calculated results show variations between compounds with U(IV) oxidation states that contain 6d 0 5f 2 electrons in their ground configurations (UO 2 and Cs 2 UCl 6 ) compared with U(VI) compounds (UO 3 and Cs 2 UO 2 Cl 4 ) with empty 5f and 6d configurations.

74 ATOMIC AND MOLECULAR PHYSICS↗