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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

A Compact Instrument for Remote Raman and Fluorescence Measurements to a Radial Distance of 100 m

Compact remote spectroscopic instruments that could provide detailed information about mineralogy, organic and biomaterials on a planetary surface over a relatively large area are desirable for NASA s planetary exploration program. Ability to explore a large area on the planetary surfaces as well as in impact craters from a fixed location of a rover or lander will enhance the probability of selecting target rocks of high scientific contents as well as desirable sites in search of organic compounds and biomarkers on Mars and other planetary bodies. We have developed a combined remote inelastic scattering (Raman) and laser-induced fluorescence emission (LIFE) compact instrument capable of providing accurate information about minerals, organic and biogenic materials to a radial distance of 100 m. Here we present the Raman and LIFE (R-LIFE) data set.

Sharma, S. K.↗
NASA NTRS1992

Equations of motion of slung-load systems, including multilift systems

General simulation equations are derived for the rigid body motion of slung-load systems. This work is motivated by an interest in trajectory control for slung loads carried by two or more helicopters. An approximation of these systems consists of several rigid bodies connected by straight-line cables or links. The suspension can be assumed elastic or inelastic. Equations for the general system are obtained from the Newton-Euler rigid-body equations with the introduction of generalized velocity coordinates. Three forms are obtained: two generalize previous case-specific results for single-helicopter systems with elastic and inelastic suspensions, respectively; and the third is a new formulation for inelastic suspensions. The latter is derived from the elastic suspension equations by choosing the generalized coordinates so that motion induced by cable stretching is separated from motion with invariant cable lengths, and by then nulling the stretching coordinates to get a relation for the suspension forces. The result is computationally more efficient than the conventional formulation, is readily integrated with the elastic suspension formulation, and is easily applied to the complex dual-lift and multilift systems. Results are given for two-helicopter systems; three configurations are included and these can be integrated in a single simulation. Equations are also given for some single-helicopter systems, for comparison with the previous literature, and for a multilift system. Equations for degenerate-body approximations (point masses, rigid rods) are also formulated and results are given for dual-lift and multilift systems. Finally, linearlized equations of motion are given for general slung-load systems are presented along with results for the two-helicopter system with a spreader bar.

Cicolani, Luigi S.↗
DOE OSTI2022

Charge ordering in Ir dimers in the ground state of Ba 5 AlIr 2 O 11

It has been well established experimentally that the interplay of electronic correlations and spin-orbit interactions in Ir 4+ and Ir 5+ oxides results in insulating J eff = 1/2 and J eff = 0 ground states, respectively. However, in compounds where the structural dimerization of iridium ions is favorable, the direct Ir d-d hybridization can be significant and takes a key role. Here, in this study, we investigate the effects of direct Ir d-d hybridization in comparison with electronic correlations and spin-orbit coupling in Ba 5 AlIr 2 O 11 , a compound with Ir dimers. Using a combination of ab initio many-body wave-function quantum chemistry calculations and resonant inelastic x-ray scattering experiments, we elucidate the electronic structure of Ba 5 AlIr 2 O 11 . We find excellent agreement between the calculated and the measured spin-orbit excitations. Contrary to expectations, the analysis of the many-body wave function shows that the two Ir (Ir 4+ and Ir 5+ ) ions in the Ir 2 O 9 dimer unit in this compound preserve their local J eff character close to 1/2 and 0, respectively. The local point group symmetry at each of the Ir ions plays an important role, significantly limiting the direct d-d hybridization. Our results emphasize that minute details in the local crystal field environment can lead to dramatic differences in the electronic states in iridates and 5d oxides in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Advanced development of the boundary element method for elastic and inelastic thermal stress analysis

The focus of this dissertation is on advanced development of the boundary element method for elastic and inelastic thermal stress analysis. New formulations for the treatment of body forces and nonlinear effects are derived. These formulations, which are based on particular integral theory, eliminate the need for volume integrals or extra surface integrals to account for these effects. The formulations are presented for axisymmetric, two and three dimensional analysis. Also in this dissertation, two dimensional and axisymmetric formulations for elastic and inelastic, inhomogeneous stress analysis are introduced. The derivatives account for inhomogeneities due to spatially dependent material parameters, and thermally induced inhomogeneities. The nonlinear formulation of the present work are based on an incremental initial stress approach. Two inelastic solutions algorithms are implemented: an iterative; and a variable stiffness type approach. The Von Mises yield criterion with variable hardening and the associated flow rules are adopted in these algorithms. All formulations are implemented in a general purpose, multi-region computer code with the capability of local definition of boundary conditions. Quadratic, isoparametric shape functions are used to model the geometry and field variables of the boundary (and domain) of the problem. The multi-region implementation permits a body to be modeled in substructured parts, thus dramatically reducing the cost of analysis. Furthermore, it allows a body consisting of regions of different (homogeneous) material to be studied. To test the program, results obtained for simple test cases are checked against their analytic solutions. Thereafter, a range of problems of practical interest are analyzed. In addition to displacement and traction loads, problems with body forces due to self-weight, centrifugal, and thermal loads are considered.

Henry, Donald P., Jr.↗
DOE OSTI2025

EMC Effect of Tritium and Helium-3 from the JLab MARATHON Experiment

Measurements of the EMC effect in the tritium and helium-3 mirror nuclei are reported. The data were obtained by the MARATHON Jefferson Lab experiment, which performed deep inelastic electron scattering from deuterium and the three-body nuclei, using a cryogenic gas target system and the high resolution spectrometers of the Hall A Facility of the Lab. The data cover the Bjorken 𝑥 range from 0.20 to 0.83, corresponding to a squared four-momentum transfer 𝑄 2 range from 2.7 to 11.9 (GeV/𝑐) 2 , and to an invariant mass 𝑊 of the final hadronic state greater than 1.84 GeV/𝑐 2 . The tritium EMC effect measurement is the first of its kind. The MARATHON experimental results are compared to results from previous measurements by DESY-HERMES and JLab–Hall C experiments, as well as with few-body theoretical predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Excitons in two-dimensional metal-halide perovskites

Georgia Tech School of Chemistry and Biochemistry Special Summer Seminar Series, Prof Carlos Silva; While polarons --- charges bound to a lattice deformation induced by electron-phonon coupling --- are primary photoexcitations at room temperature in bulk metal-halide hybrid organic-inorganic perovskites (HOIP), excitons --- Coulomb-bound electron-hole pairs --- are the stable quasi-particles in their two-dimensional (2D) analogues. Here we address the fundamental question: are polaronic effects consequential for excitons in 2D-HIOPs? Based on our recent work, we argue that polaronic effects are manifested intrinsically in the exciton spectral structure, which is comprised of multiple non-degenerate resonances with constant inter-peak energy spacing. We highlight measurements of population and dephasing dynamics that point to the apparently deterministic role of polaronic effects in excitonic properties. We contend that an interplay of long-range and short-range exciton-lattice couplings give rise to exciton polarons, a character that fundamentally establishes their effective mass and radius, and consequently, their quantum dynamics. Given this complexity, a fundamentally far-reaching issue is how Coulomb-mediated many-body interactions---elastic scattering such as excitation-induced dephasing, inelastic exciton bimolecular scattering, and multi-exciton binding---depend upon the specific exciton-lattice coupling within the structured excitation lineshape. We measure the intrinsic and density-dependent exciton dephasing rates of the multiple excitons and their dependence on temperature by means of two-dimensional coherent excitation spectroscopy. We find that diverse excitons display distinct intrinsic dephasing rates mediated by phonon scattering involving different effective phonons, and contrasting rates of exciton-exciton elastic scattering. These findings establish specifically the consequence of distinct lattice dressing on exciton many-body quantum dynamics, which critically define fundamental optical properties that underpin photonics and quantum optoelectronics.

solar cells, metal-halide perovskites, excitons, p↗
DOE OSTI2020

Anharmonic Origin of the Giant Thermal Expansion of NaBr

ll phonons in a single crystal of NaBr are measured by inelastic neutron scattering at temperatures of 10, 300, and 700 K. Even at 300 K, the phonons, especially the longitudinal-optical phonons, show large shifts in frequencies and show large broadenings in energy owing to anharmonicity. Ab initio computations are first performed with the quasiharmonic approximation (QHA) in which the phonon frequencies depend only on V and on T only insofar as it alters V by thermal expansion. This QHA is an unqualified failure for predicting the temperature dependence of phonon frequencies, even 300 K, and the thermal expansion is in error by a factor of 4. Ab initio computations that include both anharmonicity and quasiharmonicity successfully predict both the temperature dependence of phonons and the large thermal expansion of NaBr. The frequencies of longitudinal-optical phonon modes decrease significantly with temperature owing to the real part of the phonon self-energy from explicit anharmonicity originating from the cubic anharmonicity of nearest-neighbor NaBr bonds. Anharmonicity is not a correction to the QHA predictions of thermal expansion and thermal phonon shifts but dominates the behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Time-dependent approach to inelastic scattering spectroscopies in and away from equilibrium: Beyond perturbation theory

We propose a nonperturbative numerical approach to calculate the spectrum of a many-body Hamiltonian with time and momentum resolution by exactly recreating a scattering event using the time-dependent Schrödinger equation. Akin to an actual inelastic scattering experiment, we explicitly account for the incident and scattered particles (e.g., photons, neutrons, electrons, etc.) in the Hamiltonian and obtain the spectrum by measuring the energy and momentum lost by the particle after interacting with the sample. We illustrate the method by calculating the spin excitations of a Mott-insulating Hubbard chain after a sudden quench with the aid of the time-dependent density matrix renormalization group method. Our formalism can be applied to different forms of spectroscopies, such as neutron and Compton scattering and electron-energy-loss spectroscopy, as an example.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Back-to-back inclusive dijets in DIS at small x : Sudakov suppression and gluon saturation at NLO

Back-to-back dijet cross-sections in deeply inelastic scattering (DIS) at small xBj are suppressed by many-body multiple scattering and screening effects arising from gluon saturation at high parton densities. They are similarly sensitive in these kinematics to large Sudakov logarithms from soft gluon radiation. Uncovering novel physics in this DIS channel therefore requires understanding the interplay of the two phenomena. In this work, we compute the small $x_\text{Bj}$ inclusive dijet DIS cross-section in back-to-back kinematics at next-to-leading order (NLO) in the Color Glass Condensate effective field theory (CGC EFT). Our result includes, for the first time, all real and virtual NLO contributions to the impact factor. These include all Sudakov double and single logarithm contributions, as well as all other finite $\mathcal{O}(α_s)$ terms that contribute at this order. We demonstrate explicitly that resummations of small x and Sudakov logarithms can be performed simultaneously in the CGC EFT. This requires that the JIMWLK kernel for small x evolution of the Weizsäcker-Williams (WW) gluon distribution satisfies a kinematic constraint imposed by lifetime ordering of successive gluon emissions; the corresponding modifications to the kernel, corresponding to resummations of large double transverse logarithms, are precisely of the type required to stabilize JIMWLK evolution beyond leading logarithmicaccuracy. We compute the azimuthal harmonics of the NLO back-to-back distributions and show their sensitivity to both the unpolarized and linearly polarized WW gluon distributions. Finally, we discuss how TMD factorization is broken by an emergent saturation scale at small $x$.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Quantum wake dynamics in Heisenberg antiferromagnetic chains

Traditional spectroscopy, by its very nature, characterizes physical system properties in the momentum and frequency domains. However, the most interesting and potentially practically useful quantum many-body effects emerge from local, short-time correlations. Here, using inelastic neutron scattering and methods of integrability, we experimentally observe and theoretically describe a local, coherent, long-lived, quasiperiodically oscillating magnetic state emerging out of the distillation of propagating excitations following a local quantum quench in a Heisenberg antiferromagnetic chain. This “quantum wake” displays similarities to Floquet states, discrete time crystals and nonlinear Luttinger liquids. We also show how this technique reveals the non-commutativity of spin operators, and is thus a model-agnostic measure of a magnetic system’s “quantumness.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Nonharmonic contributions to the high-temperature phonon thermodynamics of Cr

Here, phonon densities of states (DOSs) of body-centered cubic chromium were measured by time-of-flight inelastic neutron scattering at temperatures up to 1493 K. Density functional theory calculations with both quasiharmonic (QH) and anharmonic (AH) methods were performed at temperatures above the Néel temperature. Features in the phonon DOSs decrease in energy (soften) substantially with temperature. A Born–von Kármán analysis using fits to the experimental DOSs reveals a softening of almost 17% of the high-transverse phonon branch between 330 and 1493 K. The low-transverse branch changes by approximately half this amount. The AH calculations capture the observed behavior of the two transverse phonon branches, but the QH calculations give some inverted trends. Vibrational entropies from phonons and electrons are obtained, and their sum is in excellent agreement with the entropy of chromium obtained by calorimetry, indicating that above 330 K, no explicit temperature-dependent magnetic contributions are necessary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2011

A Collisional Algorithm for Modeling Circumstellar Debris Disks

Many planetary systems harbor circumstellar disks of dust and planetesimals thought to be debris left over from planet formation. These debris disks exhibit a range of morphological features which can arise from the gravitational perturbations of planets. Accurate models of these features, accounting for the interactions of the particles in a disk with each other and with whatever planets they contain, can act as signposts for planets in debris disks that otherwise could not be detected. Such models can also constrain the planet's mass and orbital parameters. Current models for many disks consider the gravitational and radiative effects of the star and planets on the disk, but neglect the morphological consequences of collisional interactions between the planetesimals. Many observed disk features are not satisfactorily explained by the current generation of models. I am developing a new kind of debris disk model that considers both the gravitational shaping of the disk by planets and the inelastic collisions between particles. I will use a hybrid N-body integrator to numerically solve the equations of motion for the particles and planets in the disk. To include the collisional effects, I begin with an algorithm that tests for collisions at each step of the orbit integration and readjusts the velocities of colliding particles. I am adapting this algorithm to the problem at hand by allowing each particle to represent a "swarm" of planetesimals with a range of masses. When the algorithm detects an encounter between swarms, two or three swarms are produced to approximate the range of possible trajectories of the daughter planetesimals. Here I present preliminary results from my collisional algorithm.

Nesvold, Erika↗
DOE OSTI2023

A time-dependent momentum-resolved scattering approach to core-level spectroscopies

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Witnessing Spin-Orbital Entanglement Using Resonant Inelastic X-Ray Scattering

Entanglement plays a central role in quantum technologies, yet its characterization and control in materials remain challenging. Recent developments in spectrum-based entanglement witnesses have enabled new strategies for quantifying many-body entanglement in macroscopic materials. Here, in this work, we develop a protocol for detecting spin-orbital entanglement using experiment-accessible resonant inelastic x-ray scattering. Central to our approach is the construction of a Hermitian generator from measurable spectra, which allows us to compute the quantum Fisher information (QFI) available in spin-orbital systems. The resulting QFI provides upper bounds for 𝑘-producible states and thus serves as a robust witness of spin-orbital entanglement. To account for realistic experimental limitations, we further extend our framework to include relaxed QFI bounds applicable to measurements lacking full polarization resolution.

entanglement detection↗
NASA NTRS1988

Unified constitutive model for single crystal deformation behavior with applications

Single crystal materials are being used in gas turbine airfoils and are candidates for other hot section components because of their increased temperature capabilities and resistance to thermal fatigue. Development of a constitutive model which assesses the inelastic behavior of these materials has been studied in 2 NASA programs: Life Prediction and Constitutive Models for Engine Hot Section Anisotropic Materials and Biaxial Constitutive Equation Development for Single Crystals. The model has been fit to a large body of constitutive data for single crystal PWA 1480 material. The model uses a unified approach for computing total inelastic strains (creep plus plasticity) on crystallographic slip systems reproducing observed directional and strain rate effects as a natural consequence of the summed slip system quantities. The model includes several of the effects that have been reported to influence deformation in single crystal materials, such as shear stress, latent hardening, and cross slip. The model is operational in a commercial Finite Element code and is being installed in a Boundary Element Method code.

Walker, K. P.↗
DOE OSTI2022

Green’s function methods for excited states and x-ray spectra of functional materials

Many interesting properties of functional materials, such as dynamic response and thermodynamic behavior, depend on their excited state properties. These functional properties are often related to excitations in the system, such as phonons and plasmons, which lead to inelastic losses, lifetime, and other dynamic effects. The excitations are pure many-body correlation effects that are missing from independent particle theories. They are revealed in x-ray spectra such as photoemission and absorption, where they show up as satellites beyond the quasi-particle approximation. Our main focus in this work is the use of Green's function methods to describe these effects. In particular, we discuss how the cumulant Green's function provides a unified treatment of such dynamic correlation effects in many contexts. Besides a robust theoretical framework, these methods also yield widely applicable tools for practical calculations of many functional properties of materials. Furthermore, this methodology is illustrated with a number of applications ranging from optical and x-ray spectra to thermodynamic properties, and dynamic response. Some recent extensions for more correlated systems are also briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

Effects of gas on the global stability of galactic disks - Radial flows

We study numerically the effect of gas on the global stability of a two-component self-gravitating galactic disk embedded in a live halo. The stars are evolved by using a 3D collisionless N-body code, and the gas is represented by an ensemble of finite size inelastic particles. The gravitational interaction of stars and gas is calculated using a TREE method. We find that the evolution of the gaseous distribution in the globally unstable disks can be described by two different regimes. When the gas mass fraction is less than about 10 percent, the gas is channeled toward the galactic center by a growing stellar bar. For higher gas fractions, the gas becomes highly inhomogeneous, and the bar instability in the disk is heavily damped. The gas falls toward the inner kpc due to dynamical friction. Domains of both regimes depend on the efficiency of dissipation in the gas. We also discuss the relevance of the Jeans instability and give an empirical criterion for the global bar instability in a two-component self-gravitating disk.

Shlosman, Isaac↗
NASA NTRS1973

Equations for the kinetic modeling of supersonically flowing electrically excited lasers

The equations for the kinetic modeling of a supersonically flowing electrically excited laser system are presented. The work focuses on the use of diatomic gases, in particular carbon monoxide mixtures. The equations presented include the vibrational rate equation which describes the vibrational population distribution, the electron, ion and electronic level rate equations, the gasdynamic equations for an ionized gas in the presence of an applied electric field, and the free electron Boltzmann equation including flow and gradient coupling terms. The model developed accounts for vibration-vibration collisions, vibration-translation collisions, electron-molecule inelastic excitation and superelastic de-excitation collisions, charge particle collisions, ionization and three body recombination collisions, elastic collisions, and radiative decay, all of which take place in such a system. A simplified form of the free electron Boltzmann equation is developed and discussed with emphasis placed on its coupling with the supersonic flow. A brief description of a possible solution procedure for the set of coupled equations is then discussed.

Lind, R. C.↗