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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Scale matters

The applicability of Navier–Stokes equations is limited to near-equilibrium flows in which the gradients of density, velocity and energy are small. Here I propose an extension of the Chapman–Enskog approximation in which the velocity probability distribution function (PDF) is averaged in the coordinate phase space as well as the velocity phase space. I derive a PDF that depends on the gradients and represents a first-order generalization of local thermodynamic equilibrium. I then integrate this PDF to derive a hydrodynamic model. Finally, I discuss the properties of that model and its relation to the discrete equations of computational fluid dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Sci-Thur PM – Brachytherapy 01: Fast brachytherapy dose calculations: Characterization of egs-brachy features to enhance simulation efficiency

Purpose: egs-brachy is a fast, new EGSnrc user-code for brachytherapy applications. This study characterizes egs-brachy features that enhance simulation efficiency. Methods: Calculations are performed to characterize efficiency gains from various features. Simulations include radionuclide and miniature x-ray tube sources in water phantoms and idealized prostate, breast, and eye plaque treatments. Features characterized include voxel indexing of sources to reduce boundary checks during radiation transport, scoring collision kerma via tracklength estimator, recycling photons emitted from sources, and using phase space data to initiate simulations. Bremsstrahlung cross section enhancement (BCSE), uniform bremsstrahlung splitting (UBS), and Russian Roulette (RR) are considered for electronic brachytherapy. Results: Efficiency is enhanced by a factor of up to 300 using tracklength versus interaction scoring of collision kerma and by up to 2.7 and 2.6 using phase space sources and particle recycling respectively compared to simulations in which particles are initiated within sources. On a single 2.5 GHz Intel Xeon E5-2680 processor cor, simulations approximating prostate and breast permanent implant ((2 mm){sup 3} voxels) and eye plaque ((1 mm){sup 3}) treatments take as little as 9 s (prostate, eye) and up to 31 s (breast) to achieve 2% statistical uncertainty on doses within the PTV. For electronic brachytherapy, BCSE, UBS, and RR enhance efficiency by a factor >2000 compared to a factor of >10{sup 4} using a phase space source. Conclusion: egs-brachy features provide substantial efficiency gains, resulting in calculation times sufficiently fast for full Monte Carlo simulations for routine brachytherapy treatment planning.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1988

Plasma electrons as tracers of distant magnetotail structure - ISEE-3

This paper compares the electron spectra and phase space densities measured concurrently by ISEE-3 at 200 R(E), with those measured by DMSP at low altitudes. The field-aligned lobe electron phase space densities above 200 eV at ISEE were found to agree well with the DMSP-measured polar rain phase space densities near the polar cap; the spectral slopes above 200 eV were also similar. Below 100-200 eV, a thermal electron population was measured by ISEE in the distant tail, which arose from local entry of plasma through the distant magnetopause, which is not present at DMSP altitudes. These data show that the suprathermal tail lobe electrons are essentially a test particle population which can move freely along field lines to form polar rain; in contrast, the thermal electrons are bound to the tailward-flowing lobe ion population far down the tail and, thus, cannot reach the polar cap regions.

Baker, D. N.↗
DOE OSTI2018

Phonon transport properties of two-dimensional electride Ca 2 N—A first-principles study

We investigate phonon transport in dicalcium nitride (Ca 2 N), an electride with two-dimensional confined electron layers, using first-principles density functional theory and the phonon Boltzmann transport equation. The in-plane (κ[100]) and out-of-plane (κ[001]) lattice thermal conductivities at 300 K are found to be 11.72 W m -1 K -1 and 2.50 W m -1 K -1 , respectively. Spectral analysis of lattice thermal conductivity shows that ~85% of $κ_{[100]}$ and $κ_{[001]}$ is accumulated by phonons with frequencies less than 5.5 THz and 2.5 THz, respectively. Modal decomposition of lattice thermal conductivity further reveals that the optical phonons contribute to ~68% and ~55% of overall $κ_{[100]}$ and $κ_{[001]}$, respectively. Phonon dispersion suggests that the large optical phonon contribution is a result of low frequency optical phonons with high group velocities and the lack of phonon bandgap between the acoustic and optical phonon branches. We find that the optical phonons with frequencies below ~5.5 THz have similar three-phonon phase space and scattering rates as acoustic phonons. Comparison of the contributions from emission and absorption processes reveals that the three-phonon phase space and scattering rates of phonons—optical or acoustic—with frequencies below 5.5 THz are largely dominated by absorption processes. We conclude that the large contribution to lattice thermal conductivity by optical phonons is due to the presence of multiple low frequency optical phonon modes with high group velocities and similar phase space and scattering rates as the acoustic phonons. This study provides the frequency and temperature dependent lattice thermal conductivity and insights into phonon transport in Ca 2 N, both of which have important implications for the development of Ca 2 N based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Layered topological semimetal GaGeTe: New polytype with non-centrosymmetric structure

GaGeTe is a layered van der Waals material composed of germanene and GaTe sublayers that has been recently predicted to be a basic Z 2 topological semimetal. To date, only one polytype of GaGeTe is known with trigonal centrosymmetric structure (α phase, space group R-3m, No. 166). Here we show that as-grown samples of GaGeTe show traces of at least another polytype with hexagonal non-centrosymmetric structure (β phase, space group P6 3 mc, No. 186). Moreover, we suggest that another bulk hexagonal polytype (γ phase, space group P-3m1, No. 164) could also be found near room conditions. Both α and β polytypes have been identified and characterized by means of X-ray diffraction and Raman scattering measurements with the support of ab initio calculations. We provide the vibrational properties of both polytypes and show that the Raman spectrum reported for GaGeTe almost forty years ago and attributed to the α phase, was, in fact, that of the secondary β phase. Additionally, we show that a Fermi resonance occurs in α-GaGeTe under non-resonant excitation conditions, but not under resonant excitation conditions. Theoretical calculations show that bulk β-GaGeTe is a non-centrosymmetric weak topological semimetal with even smaller lattice thermal conductivity than centrosymmetric bulk α-GaGeTe. In perspective, our work paves the way for the control and engineering of GaGeTe polytypes to design and implement complex van der Waals heterostructures formed by a combination of centrosymmetric and non-centrosymmetric layers of up to three different polytypes in a single material, suitable for a number of fundamental studies and technological applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Neural refinement of sample weights

Monte Carlo simulations are an essential tool in particle physics data analysis. Events are typically generated alongside weights that redistribute the cross section of the simulated process across the phase space. These weights can be negative, and several post hoc methods have been developed to eliminate or mitigate the negative values. All of these methods share the common strategy of approximating the average weight as a function of phase space. We introduce an alternative approach, which, instead of reweighting to the average, refines the initial weights with a scaling transformation, utilizing a phase space-dependent factor. Since this new refinement method does not need to model the full weight distribution, it can be more accurate. High-dimensional and unbinned phase space is processed using neural networks for the refinement method. In addition to the refinement method, we introduce a new resampling protocol, which can be used in conjunction with any weight transformation to not only preserve the average weight but also the statistical uncertainties of the initial distribution. Using both realistic and synthetic examples, we show that the new neural refinement method is able to match or exceed the accuracy of similar weight transformations and that the new resampling protocol is simpler in implementation than previous methods while exhibiting equivalent statistical properties.

Artificial neural networks↗
DOE OSTI2023

Spin-squeezed Gottesman-Kitaev-Preskill codes for quantum error correction in atomic ensembles

Gottesman-Kitaev-Preskill (GKP) codes encode a qubit in displaced phase-space combs of a continuous-variable (CV) quantum system and are useful for correcting a variety of high-weight photonic errors. Here we propose atomic ensemble analogs of the single-mode CV GKP code by using the quantum central limit theorem to pull back the phase-space structure of a CV system to the compact phase space of a quantum spin system. We study the optimal recovery performance of these codes under error channels described by stochastic relaxation and isotropic ballistic dephasing processes using the diversity combining approach for calculating channel fidelity. Additionally, we find that the spin GKP codes outperform other spin system codes such as cat codes or binomial codes. Our spin GKP codes based on the two-axis countertwisting interaction and superpositions of SU(2) coherent states are direct spin analogs of the finite-energy CV GKP codes, whereas our codes based on one-axis twisting do not yet have well-studied CV analogs. A state preparation scheme for the spin GKP codes is proposed which uses the linear-combination-of-unitaries method, applicable to both the CV and spin GKP settings. Finally, we discuss a fault-tolerant approximate gate set for quantum computing with spin-GKP-encoded qubits, obtained by translating gates from the CV GKP setting using the quantum central limit theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dynamic susceptibility study on the skyrmion phase stability of Fe{sub 0.7}Co{sub 0.3}Si

The AC susceptibilities of Fe{sub 1−x}Co{sub x}Si (0.1 ≤ x ≤ 0.7) alloys were measured and compared with that of MnSi. The range of skyrmion phase in the H-T phase space was enlarged and moved to higher temperatures when approximately 1/3 of the Fe was substituted with Co. Comparing with MnSi, the skyrmion phase of Fe{sub 0.7}Co{sub 0.3}Si was found thermodynamically more stable under a much lower and narrower critical field near 280 ± 50 Oe. The stability range in the H-T phase space and the free energy reduction ΔE (as a function of the applied magnetic field) for both the Fe{sub 0.7}Co{sub 0.3}Si and MnSi were compared.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2002

Parametric Identification of Nonlinear Dynamical Systems

In this project, we looked at the application of harmonic balancing as a tool for identifying parameters (HBID) in a nonlinear dynamical systems with chaotic responses. The main idea is to balance the harmonics of periodic orbits extracted from measurements of each coordinate during a chaotic response. The periodic orbits are taken to be approximate solutions to the differential equations that model the system, the form of the differential equations being known, but with unknown parameters to be identified. Below we summarize the main points addressed in this work. The details of the work are attached as drafts of papers, and a thesis, in the appendix. Our study involved the following three parts: (1) Application of the harmonic balance to a simulation case in which the differential equation model has known form for its nonlinear terms, in contrast to a differential equation model which has either power series or interpolating functions to represent the nonlinear terms. We chose a pendulum, which has sinusoidal nonlinearities; (2) Application of the harmonic balance to an experimental system with known nonlinear forms. We chose a double pendulum, for which chaotic response were easily generated. Thus we confronted a two-degree-of-freedom system, which brought forth challenging issues; (3) A study of alternative reconstruction methods. The reconstruction of the phase space is necessary for the extraction of periodic orbits from the chaotic responses, which is needed in this work. Also, characterization of a nonlinear system is done in the reconstructed phase space. Such characterizations are needed to compare models with experiments. Finally, some nonlinear prediction methods can be applied in the reconstructed phase space. We developed two reconstruction methods that may be considered if the common method (method of delays) is not applicable.

Feeny, Brian↗
DOE OSTI2020

Koopman–von Neumann approach to quantum simulation of nonlinear classical dynamics

Quantum computers can be used to simulate nonlinear non-Hamiltonian classical dynamics on phase space by using the generalized Koopman–von Neumann formulation of classical mechanics. The Koopman–von Neumann formulation implies that the conservation of the probability distribution function on phase space, as expressed by the Liouville equation, can be recast as an equivalent Schrödinger equation on Hilbert space with a Hermitian Hamiltonian operator and a unitary propagator. This Schrödinger equation is linear in the momenta because it derives from a constrained Hamiltonian system with twice the classical phase-space dimension. A quantum computer with finite resources can be used to simulate a finite-dimensional approximation of this unitary evolution operator. Quantum simulation of classical dynamics is exponentially more efficient than a deterministic Eulerian discretization of the Liouville equation if the Koopman–von Neumann Hamiltonian is sparse. Utilizing quantum walk techniques for state preparation and amplitude estimation for the calculation of observables leads to a quadratic improvement over classical probabilistic Monte Carlo algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optical Design of $\mathrm{DEI/ABI}$ System at the $\mathrm{HEX}$ Beamline at the $\mathrm{NSLS-II}$

Diffraction Enhanced Imaging (DEI) or Analyzer Based Imaging (ABI) uses a perfect crystal monochromator and matching analyzer to achieve sensitivity to x-ray refraction and ultra small-angle scattering on the order of 0.01 micro-radians. As such, a thermal bump caused by heat-load in the order of 1 W is detrimental. The heat load at the HEX (High Energy Engineering X-ray) super-conducting wiggler (SCW) beamline, under construction at the NSLS-II, is on the order of 1 kW. How to reconcile the three orders of magnitude difference between the HEX source power and the DEI/ABI requirements? The solution involves using a double-crystal bent-Laue monochromator as pre-monochromator to prepare a beam with a large divergence and bandwidth that is matched to a flat crystal post-monochromator. We show through phase-space (x-ray energy vs. angle as viewed by a flat crystal) analysis and Dumond diagrams that there is indeed a unique bending radius that matches the double-crystal bent-Laue monochromator in phase space to the flat Bragg crystal. The matched system has a desirable feature that the phase space of the bent crystal’s output beam is much larger than that of the flat crystal, making the combined system stable. Based on these considerations, here we present our optical design for performing DEI/ABI at the HEX beamline

36 MATERIALS SCIENCE↗
DOE OSTI2018

A low-frequency variational model for energetic particle effects in the pressure-coupling scheme

Energetic particle effects in magnetic confinement fusion devices are commonly studied by hybrid kinetic-fluid simulation codes whose underlying continuum evolution equations often lack the correct energy balance. While two different kinetic-fluid coupling options are available (current coupling and pressure coupling), this paper applies the Euler–Poincaré variational approach to formulate a new conservative hybrid model in the pressure-coupling scheme. In our case the kinetics of the energetic particles are described by guiding center theory. The interplay between the Lagrangian fluid paths and phase space particle trajectories reflects an intricate variational structure which can be approached by letting the four-dimensional guiding center trajectories evolve in the full six-dimensional phase space. Then, the redundant perpendicular velocity is integrated out to recover a four-dimensional description. A second equivalent variational approach is also reported, which involves the use of phase space Lagrangians. Not only do these variational structures confer on the new model a correct energy balance, but also they produce a cross-helicity invariant which is lost in the other pressure-coupling schemes reported in the literature.

Physics↗
DOE OSTI2023

The cosmic waltz of Coma Berenices and Latyshev 2 (Group X)

Context. Open clusters (OCs) are fundamental benchmarks where theories of star formation and stellar evolution can be tested and validated. Coma Berenices (Coma Ber) and Latyshev 2 (Group X) are the second and third OCs closest to the Sun, making them excellent targets to search for low-mass stars and ultra-cool dwarfs. In addition, this pair will experience a flyby in 10–16 Myr, making it a benchmark to test pair interactions of OCs. Aims. We aim to analyse the membership, luminosity, mass, phase-space (i.e. positions and velocities), and energy distributions for Coma Ber and Latyshev 2 and test the hypothesis of the mixing of their populations at the encounter time. Methods. We developed a new phase-space membership methodology and applied it to Gaia data. With the recovered members, we inferred the phase-space, luminosity, and mass distributions using publicly available Bayesian inference codes. Then, with a publicly available orbit integration code and members’ positions and velocities, we integrated their orbits 20 Myr into the future. Results. In Coma Ber, we identified 302 candidate members distributed in the core and tidal tails. The tails are dynamically cold and asymmetrically populated. The stellar system called Group X is made of two structures: the disrupted OC Latyshev 2 (186 candidate members) and a loose stellar association called Mecayotl 1 (146 candidate members), and both of them will fly by Coma Ber in 11.3 ± 0.5 Myr and 14.0 ± 0.6 Myr, respectively, and each other in 8.1 ± 1.3 Myr. Conclusions. We study the dynamical properties of the core and tails of Coma Ber and also confirm the existence of the OC Latyshev 2 and its neighbour stellar association Mecayotl 1. Although these three systems will experience encounters, we find no evidence supporting the mixing of their populations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

STEADY-STATE RELATIVISTIC STELLAR DYNAMICS AROUND A MASSIVE BLACK HOLE

A massive black hole (MBH) consumes stars whose orbits evolve into the small phase-space volume of unstable orbits, the “loss cone,” which take them into the MBH, or close enough to interact strongly with it. The resulting phenomena, e.g., tidal heating and disruption, binary capture and hyper-velocity star ejection, gravitational wave (GW) emission by inspiraling compact remnants, or hydrodynamical interactions with an accretion disk, can produce observable signatures and thereby reveal the MBH, affect its mass and spin evolution, test strong gravity, and probe stars and gas near the MBH. These continuous stellar loss and resupply processes shape the central stellar distribution. We investigate relativistic stellar dynamics near the loss cone of a non-spinning MBH in steady state, analytically and by Monte Carlo simulations of the diffusion of the orbital parameters. These take into account Newtonian mass precession due to enclosed stellar mass, in-plane precession due to general relativity, dissipation by GW, uncorrelated two-body relaxation, correlated resonant relaxation (RR), and adiabatic invariance due to secular precession, using a rigorously derived description of correlated post-Newtonian dynamics in the diffusion limit. We argue that general maximal entropy considerations strongly constrain the orbital diffusion in steady state, irrespective of the relaxation mechanism. We identify the exact phase-space separatrix between plunges and inspirals, and predict their steady-state rates. We derive the dependence of the rates on the mass of the MBH, show that the contribution of RR in steady state is small, and discuss special cases where unquenched RR in restricted volumes of phase-space may affect the steady state substantially.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Gauged Floreanini–Jackiw type chiral boson and its BRST quantization

The gauged model of Siegel type chiral boson is considered. It has been shown that the action of gauged model of Floreanini–Jackiw (FJ) type chiral boson is contained in it in an interesting manner. A BRST invariant action corresponding to the action of gauged FJ type chiral boson has been formulated using Batalin, Fradkin and Vilkovisky based improved Fujiwara, Igarishi and Kubo (FIK) formalism. An alternative quantization of the gauge symmetric action has been made with a Lorentz gauge and an attempt has been made to establish the equivalence between the gauge symmetric version of the extended phase space and original gauge non-invariant version of the usual phase space. - Highlights: • Gauged Chiral Boson. • BRST quantization. • Exactly solvable model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

The Statistical Mechanics of Ideal MHD Turbulence

Turbulence is a universal, nonlinear phenomenon found in all energetic fluid and plasma motion. In particular. understanding magneto hydrodynamic (MHD) turbulence and incorporating its effects in the computation and prediction of the flow of ionized gases in space, for example, are great challenges that must be met if such computations and predictions are to be meaningful. Although a general solution to the "problem of turbulence" does not exist in closed form, numerical integrations allow us to explore the phase space of solutions for both ideal and dissipative flows. For homogeneous, incompressible turbulence, Fourier methods are appropriate, and phase space is defined by the Fourier coefficients of the physical fields. In the case of ideal MHD flows, a fairly robust statistical mechanics has been developed, in which the symmetry and ergodic properties of phase space is understood. A discussion of these properties will illuminate our principal discovery: Coherent structure and randomness co-exist in ideal MHD turbulence. For dissipative flows, as opposed to ideal flows, progress beyond the dimensional analysis of Kolmogorov has been difficult. Here, some possible future directions that draw on the ideal results will also be discussed. Our conclusion will be that while ideal turbulence is now well understood, real turbulence still presents great challenges.

Shebalin, John V.↗
NASA NTRS1995

Stormtime ring current and radiation belt ion transport: Simulations and interpretations

We use a dynamical guiding-center model to investigate the stormtime transport of ring current and radiation-belt ions. We trace the motion of representative ions' guiding centers in response to model substorm-associated impulses in the convection electric field for a range of ion energies. Our simple magnetospheric model allows us to compare our numerical results quantitatively with analytical descriptions of particle transport, (e.g., with the quasilinear theory of radial diffusion). We find that 10-145-keV ions gain access to L approximately 3, where they can form the stormtime ring current, mainly from outside the (trapping) region in which particles execute closed drift paths. Conversely, the transport of higher-energy ions (approximately greater than 145 keV at L approximately 3) turns out to resemble radial diffusion. The quasilinear diffusion coefficient calculated for our model storm does not vary smoothly with particle energy, since our impulses occur at specific (although randomly determined) times. Despite the spectral irregularity, quasilinear theory provides a surprisingly accurate description of the transport process for approximately greater than 145-keV ions, even for the case of an individual storm. For 4 different realizations of our model storm, the geometric mean discrepancies between diffusion coefficients D(sup sim, sub LL) obtained from the simulations and the quasilinear diffusion coefficient D(sup ql, sub LL) amount to factors of 2.3, 2.3, 1.5, and 3.0, respectively. We have found that these discrepancies between D(sup sim, sub LL) and D(sup ql, sub LL) can be reduced slightly by invoking drift-resonance broadening to smooth out the sharp minima and maxima in D(sup ql, sub LL). The mean of the remaining discrepancies between D(sup sim, sub LL) and D(sup ql, sub LL) for the 4 different storms then amount to factors of 1.9, 2.1, 1.5, and 2.7, respectively. We find even better agreement when we reduce the impulse amplitudes systematically in a given model storm (e.g., reduction of all the impulse amplitudes by half reduces the discrepancy factor by at least its square root) and also when we average our results over an ensemble of 20 model storms (agreement is within a factor of 1.2 without impulse-amplitude reduction). We use our simulation results also to map phase-space densities f in accordance with Liouville's theorem. We find that the stormtime transport of approximately greater than 145-keV ions produces little change in f-bar the drift-averaged phase-space density on any drift shell of interest. However, the stormtime transport produces a major enhancement from the pre-storm phase-space density at energies approximately 30-145 keV, which are representative of the stormtime ring current.

Lyons, Larry R.↗