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All sources NASA NTRS DOE OSTI

DOE OSTI2019

Interatomic interactions and thermally induced shifts and broadenings of energy levels of atoms in circular Rydberg states

Analytical expressions are obtained for the constants determining the energy of the long-range (at large distances exceeding the LeRoy radius R{sub LR} ≈ 4n{sup 2}) polarisation interaction of the multipole electric moments of two atoms in identical Rydberg states with large principal (n) and maximum orbital (l) and magnetic (m) quantum numbers (|m| = l = n − 1). Asymptotic expansions in powers of n are found for the components of the van der Waals interaction tensor, which determine the dependence of the dispersion energy on the orientation of the interatomic axis. The spontaneous and thermally induced broadenings of the energy levels of circular states are represented analytically as functions of the principal quantum number and temperature. It is found that analytical formulae for the sum of spontaneous and thermally induced line widths in the region of high temperatures and large principal quantum numbers (assuming n{sup 3}k{sub B}T >> 1) do not contain a temperature-independent contribution of the spontaneous part of the broadening. Closed analytical expressions are also obtained for the Farley − Wing function and for the n- and T-dependent corrections to the asymptotic behaviour of the thermally induced shift. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2010

Linearized kinetic theory of spin-1/2 particles in magnetized plasmas

We have considered linear kinetic theory, including the electron-spin properties in a magnetized plasma. The starting point is a mean-field Vlasov-like equation, derived from a fully quantum-mechanical treatment, where effects from the electron-spin precession and the magnetic dipole force are taken into account. The general conductivity tensor is derived, including both the free current contribution and the magnetization current associated with the spin contribution. We conclude the paper with an extensive discussion of the quantum-mechanical boundary where we list parameter conditions that must be satisfied for various quantum effects to be influential.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Ring current Atmosphere interactions Model with Self-Consistent Magnetic field

The Ring current Atmosphere interactions Model with Self-Consistent magnetic field (B) is a unique code that combines a kinetic model of ring current plasma with a three dimensional force-balanced model of the terrestrial magnetic field. The kinetic portion, RAM, solves the kinetic equation to yield the bounce-averaged distribution function as a function of azimuth, radial distance, energy and pitch angle for three ion species (H+, He+, and O+) and, optionally, electrons. The domain is a circle in the Solar-Magnetic (SM) equatorial plane with a radial span of 2 to 6.5 RE. It has an energy range of approximately 100 eV to 500 KeV. The 3-D force balanced magnetic field model, SCB, balances the JxB force with the divergence of the general pressure tensor to calculate the magnetic field configuration within its domain. The domain ranges from near the Earth’s surface, where the field is assumed dipolar, to the shell created by field lines passing through the SM equatorial plane at a radial distance of 6.5 RE. The two codes work in tandem, with RAM providing anisotropic pressure to SCB and SCB returning the self-consistent magnetic field through which RAM plasma is advected.

Jordanova, Vania↗

DOE OSTI2016

Ring current Atmosphere interactions Model with Self-Consistent Magnetic field

Jordanova, Vania↗

DOE OSTI2019

Local resolution of the Hubble tension: The impact of screened fifth forces on the cosmic distance ladder

The discrepancy between the values of the Hubble constant H0 derived from the local distance ladder and the cosmic microwave background provides a tantalizing hint of new physics. We explore a potential resolution involving screened fifth forces in the local Universe, which alter the Cepheid calibration of supernova distances. In particular, if the Cepheids with direct distance measurements from parallax or water masers are screened but a significant fraction of those in other galaxies are not, neglecting the difference between their underlying period–luminosity relations biases the local H 0 measurement high. This difference derives from a reduction in the Cepheid pulsation period and possible increase in luminosity under a fifth force. We quantify the internal and environmental gravitational properties of the Riess et al. distance ladder galaxies to assess their degrees of screening under a range of phenomenological models, and propagate this information into the H 0 posterior as a function of fifth force strength. We consider well-studied screening models in scalar–tensor gravity theories such as chameleon, K-mouflage and Vainshtein, along with a recently-proposed mechanism based on baryon–dark matter interactions in which screening is governed by the local dark matter density. We find that a fifth force strength ~5%–30% that of gravity can alleviate the H 0 tension in many scenarios, around the sensitivity level at which tests based on other distance ladder data can constrain this strength. Here, our most successful models achieve consistency with Planck at the ~1.5σ level. Although our analysis is exploratory and based on screening models that are not necessarily realized in full theories, our results demonstrate that new physics-based local resolutions of the H 0 tension are possible, supplementing those already known in the prerecombination era.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Multiple axions save high-scale inflation

Many models of dark matter QCD axion require inflation at a scale H inf ≲ 10 6 GeV ,which precludes a detectable tensor mode fluctuation. This constraint arises because the domain wall problem forces the Peccei-Quinn symmetry to be broken during inflation and the axions to be produced by the misalignment mechanism. Here, we point out that theories with multiple axions can evade this constraint, thereby allowing high-scale inflation with detectable tensor mode. The only requirement is a condition on the anomaly coefficients that ensures a unique minimum of the axion potential without fine-tuning or the introduction of small parameters.

Kondo, Dan [University of Tokyo (Japan). Kavli Ins↗

DOE OSTI2024

Molecular transport enhancement in pure metallic carbon nanotube porins

Nanofluidic channels impose extreme confinement on water and ions, giving rise to unusual transport phenomena strongly dependent on the interactions at the channel–wall interface. Yet how the electronic properties of the nanofluidic channels influence transport efficiency remains largely unexplored. Here we measure transport through the inner pores of sub-1 nm metallic and semiconducting carbon nanotube porins. We find that water and proton transport are enhanced in metallic nanotubes over semiconducting nanotubes, whereas ion transport is largely insensitive to the nanotube bandgap value. Molecular simulations using polarizable force fields highlight the contributions of the anisotropic polarizability tensor of the carbon nanotubes to the ion–nanotube interactions and the water friction coefficient. We also describe the origin of the proton transport enhancement in metallic nanotubes using deep neural network molecular dynamics simulations. Finally, these results emphasize the complex role of the electronic properties of nanofluidic channels in modulating transport under extreme nanoscale confinement.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2013

Astrophysical tests of modified gravity: Constraints from distance indicators in the nearby universe

We use distance measurements in the nearby universe to carry out new tests of gravity, surpassing other astrophysical tests by over two orders of magnitude for chameleon theories. The three nearby distance indicators—cepheids, tip of the red giant branch (TRGB) stars, and water masers—operate in gravitational fields of widely different strengths. This enables tests of scalar-tensor gravity theories because they are screened from enhanced forces to different extents. Inferred distances from cepheids and TRGB stars are altered (in opposite directions) over a range of chameleon gravity theory parameters well below the sensitivity of cosmological probes. Using published data, we have compared cepheid and TRGB distances in a sample of unscreened dwarf galaxies within 10 Mpc. We use a comparable set of screened galaxies as a control sample. We find no evidence for the order unity force enhancements expected in these theories. Using a two-parameter description of the models (the coupling strength and background field value), we obtain constraints on both the chameleon and symmetron screening scenarios. In particular we show that f(R) models with background field values f {sub R0} above 5 × 10{sup –7} are ruled out at the 95% confidence level. We also compare TRGB and maser distances to the galaxy NGC 4258 as a second test for larger field values. While there are several approximations and caveats in our study, our analysis demonstrates the power of gravity tests in the local universe. We discuss the prospects for additional improved tests with future observations.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1994

Developments and applications of dynamic models for large eddy simulation of complex flows

The dynamic modeling procedure for large eddy simulation of turbulent flows is reviewed and recent developments in the theoretical aspects and applications are described. Methods for inclusion of backscatter of energy from small to large scale motions are presented. New formulations of the dynamic procedure are proposed which are optimized based on the subgrid scale flux vector or the energy dissipation rate instead of the subgrid scale stress tensor. Recent results from application of the model to forced isotropic turbulence with an inertial subrange, flow over a backward facing step at Reynolds number of 28000, and flow over a concave curved surface are presented.

Moin, P.↗

NASA NTRS1996

The numerical simulation of multistage turbomachinery flows

The effect of the unsteady flow field in a multistage compressor on the time-averaged performance was assessed. The energy transport by the unsteady deterministic flow field was taken into account. The magnitude of the body force resulting from the aerodynamic loading on a blade row was compared to the gradient of the stress tensor associated with the unsteady time-resolved flow field generated by the blade row. The magnitude of the work performed by these forces was compared to the divergence of the energy correlations produced by the unsteady time-resolved flow field. The stress tensor and the energy correlations are non-negligible in the end wall regions. The results suggest that the turbulence is the primary source of flow mixing in the midspan region.

Adamczyk, John J.↗

NASA NTRS2012

Simulations of Magnetic Reconnection - Kinetic Mechanisms Underlying the Fluid Description of Ions

Because of its ability to transfer the energy stored in magnetic field together with the breaking of the flux freezing constraint, magnetic reconnection is considered as one of the most important phenomena in plasma physics. When it happens in a collision less environment such as the terrestrial magnetosphere, it should a priori be modelled with in the framework of kinetic physics. The evidence of kinetic features has incidentally for a long time, been shown by researchers with the help of both numerical simulations and satellite observations. However, most of our understanding of the process comes from the more intuitive fluid interpretation with simple closure hypothesis which do not include kinetic effects. To what extent are these two separate descriptions of the same phenomenon related? What is the role of kinetic effects in the averaged/fluid dynamics of reconnection? This thesis addresses these questions for the proton population in the particular case of anti parallel merging with the help of 2D Hybrid simulations. We show that one can not assume, as is usually done, that the acceleration of the proton flow is only due to the Laplace force. Our results show, for symmetric and asymmetric connection, the importance of the pressure force, opposed to the electric one on the separatrices, in the decoupling region. In the symmetric case, we emphasize the kinetic origin of this force by analyzing the proton distribution functions and explain their structure by studying the underlying particle dynamics. Protons, as individual particles, are shown to bounce in the electric potential well created by the Hall effect. The spatial divergence of this well results in a mixing in phase space responsible for the observed structure of the pressure tensor. A detailed energy budget analysis confirms the role of the pressure force for the acceleration; but, contrary to what is sometimes assumed, it also reveals that the major part of the incoming Poynting flux is transferred to the thermal energy flux rather than to the convective kinetic energy flux, although the latter is generally supposed dominant. In the symmetric case, we propose the pressure tensor to be an additional proxy of the ion decoupling region in satellite data and verify this suggestion by studying a reconnection event encountered by the Cluster spacecrafts. Finally, the last part of this thesis is devoted to the study of the kinetic structure of asymmetric tangential current sheets where connection can develop. This theoretical part consists in finding a steady state solution to the Vlasov-Maxwell system for the protons in such a configuration. We present the theory and its first confrontation to numerical tests.

Aunai, icolas↗

DOE OSTI2010

Computation of two-dimensional electric field from the ion laser induced fluorescence measurements

This paper presents a method of computing two-dimensional electric field from ion laser induced fluorescence (LIF) measurements in a plasma flow. The expression for the field is derived by taking velocity moments of the Boltzmann equation for ions. It was found that the pressure tensor, related to the width of the ion velocity distribution, plays a critical role in the computation of the electric field. Even with the assumption of cold ion flow, the pressure tensor contribution may be significant when velocity spread is caused by other forces. Such a situation occurs in the flow of a Hall thruster, where velocity spread is caused by the ions born at different potentials. LIF measurements of the cylindrical hall thruster plume were used to demonstrate practical application of the derived method. Whenever the pressure tensor components are small as compared to the mean ion drift velocity, the electric field calculations reduce to a simple expression given in terms of mean ion drift velocity and its divergence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Validating quantum-classical programming models with tensor network simulations

The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to understanding the utility of the hybrid computational model. In this paper, we demonstrate a newly developed quantum circuit simulator based on tensor network theory that enables intermediate-scale verification and validation of hybrid quantum-classical computing frameworks and programming models. We present our tensor-network quantum virtual machine (TNQVM) simulator which stores a multi-qubit wavefunction in a compressed (factorized) form as a matrix product state, thus enabling single-node simulations of larger qubit registers, as compared to brute-force statevector simulators. Our simulator is designed to be extensible in both the tensor network form and the classical hardware used to run the simulation (multicore, GPU, distributed). The extensibility of the TNQVM simulator with respect to the simulation hardware type is achieved via a pluggable interface for different numerical backends (e.g., ITensor and ExaTENSOR numerical libraries). We demonstrate the utility of our TNQVM quantum circuit simulator through the verification of randomized quantum circuits and the variational quantum eigensolver algorithm, both expressed within the eXtreme-scale ACCelerator (XACC) programming model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH{sub 3}, CO{sub 2}, formic acid, and benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

The general theory of secondary weak gravitational lensing

Weak gravitational lensing is normally assumed to have only two principle effects: a magnification of a source and a distortion of the sources shape in the form of a shear. However, further distortions are actually present owing to changes in the gravitational field across the scale of the ray bundle of light propagating to us, resulting in the familiar arcs in lensed images. This is normally called the flexion, and is approximated by Taylor expanding the shear and magnification across the image plane. However, the physical origin of this effect arises from higher-order corrections in the geodesic deviation equation governing the gravitational force between neighbouring geodesics— so involves derivatives of the Riemann tensor. We show that integrating the second-order geodesic deviation equation results in a 'Hessian map' for gravitational lensing, which is a higher-order addition to the Jacobi map. We derive the general form of the Hessian map in an arbitrary spacetime paying particular attention to the separate effects of local Ricci versus non-local Weyl curvature. We then specialise to the case of a perturbed FLRW model, and give the general form of the Hessian for the first time. This has a host of new contributions which could in principle be used as tests for modified gravity.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1994

The Topology of Three-Dimensional Symmetric Tensor Fields

We study the topology of 3-D symmetric tensor fields. The goal is to represent their complex structure by a simple set of carefully chosen points and lines analogous to vector field topology. The basic constituents of tensor topology are the degenerate points, or points where eigenvalues are equal to each other. First, we introduce a new method for locating 3-D degenerate points. We then extract the topological skeletons of the eigenvector fields and use them for a compact, comprehensive description of the tensor field. Finally, we demonstrate the use of tensor field topology for the interpretation of the two-force Boussinesq problem.

Lavin, Yingmei↗

DOE OSTI2016

Hybrid simulations of magnetic reconnection with kinetic ions and fluid electron pressure anisotropy

We present the first hybrid simulations with kinetic ions and recently developed equations of state for the electron fluid appropriate for reconnection with a guide field. The equations of state account for the main anisotropy of the electron pressure tensor.Magnetic reconnection is studied in two systems, an initially force-free current sheet and a Harris sheet. The hybrid model with the equations of state is compared to two other models, hybrid simulations with isothermal electrons and fully kinetic simulations. Including the anisotropicequations of state in the hybrid model provides a better match to the fully kinetic model. In agreement with fully kinetic results, the main feature captured is the formation of an electron current sheet that extends several ion inertial lengths. This electron current sheet modifies the Hall magnetic field structure near the X-line, and it is not observed in the standard hybrid model with isotropic electrons. The saturated reconnection rate in this regime nevertheless remains similar in all three models. Here, implications for global modeling are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2012

Shining light on modifications of gravity

Many modifications of gravity introduce new scalar degrees of freedom, and in such theories matter fields typically couple to an effective metric that depends on both the true metric of spacetime and on the scalar field and its derivatives. Scalar field contributions to the effective metric can be classified as conformal and disformal. Disformal terms introduce gradient couplings between scalar fields and the energy momentum tensor of other matter fields, and cannot be constrained by fifth force experiments because the effects of these terms are trivial around static non-relativistic sources. The use of high-precision, low-energy photon experiments to search for conformally coupled scalar fields, called axion-like particles, is well known. In this article we show that these experiments are also constraining for disformal scalar field theories, and are particularly important because of the difficulty of constraining these couplings with other laboratory experiments.

79 ASTRONOMY AND ASTROPHYSICS↗