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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Propagation of galactic cosmic rays in the presence of self-generated turbulence

Cosmic rays propagating in the Galaxy may excite a streaming instability when their motion is super-alfvenic, thereby producing the conditions for their own diffusion. In this paper we present the results of a self-consistent solution of the transport equation where diffusion occurs because of the self-generated turbulence together with a pre-existing turbulence injected, for instance, by supernova explosions and cascading to smaller scales. All chemicals are included in our calculations, so that we are able to show the secondary to primary ratios in addition to the spectra of the individual elements. All predictions appear to be in good agreement with observations. The fact that data are explained with no need for artificial breaks in the injection spectrum and/or in the diffusion coefficient as functions of momentum can be interpreted as a strong indication that the phenomenon proposed here is in fact being observed in Nature. We also show that there is very good agreement between the calculated proton spectrum and the cosmic ray spectrum inferred from observations of the gamma ray emission from clouds in the Gould's belt.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Rarefaction-driven Rayleigh–Taylor instability. Part 1. Diffuse-interface linear stability measurements and theory

Theory and experiments are reported that explore the behaviour of the Rayleigh–Taylor instability initiated with a diffuse interface. Experiments are performed in which an interface between two gases of differing density is made unstable by acceleration generated by a rarefaction wave. Well-controlled, diffuse, two-dimensional and three-dimensional, single-mode perturbations are generated by oscillating the gases either side to side, or vertically for the three-dimensional perturbations. The puncturing of a diaphragm separating a vacuum tank beneath the test section generates a rarefaction wave that travels upwards and accelerates the interface downwards. This rarefaction wave generates a large, but non-constant, acceleration of the order of $1000g_{0}$ , where $g_{0}$ is the acceleration due to gravity. Initial interface thicknesses are measured using a Rayleigh scattering diagnostic and the instability is visualized using planar laser-induced Mie scattering. Growth rates agree well with theoretical values, and with the inviscid, dynamic diffusion model of Duff et al. ( Phys. Fluids , vol. 5, 1962, pp. 417–425) when diffusion thickness is accounted for, and the acceleration is weighted using inviscid Rayleigh–Taylor theory. The linear stability formulation of Chandrasekhar ( Proc. Camb. Phil. Soc. , vol. 51, 1955, pp. 162–178) is solved numerically with an error function diffusion profile using the Riccati method. This technique exhibits good agreement with the dynamic diffusion model of Duff et al. for small wavenumbers, but produces larger growth rates for large-wavenumber perturbations. Asymptotic analysis shows a $1/k^{2}$ decay in growth rates as $k\rightarrow \infty$ for large-wavenumber perturbations.

42 ENGINEERING↗
DOE OSTI2011

Markov Jump Processes Approximating a Non-Symmetric Generalized Diffusion

Consider a non-symmetric generalized diffusion X( Dot-Operator ) in Double-Struck-Capital-R {sup d} determined by the differential operator A(x) = -{Sigma}{sub ij} {partial_derivative}{sub i}a{sub ij}(x){partial_derivative}{sub j} + {Sigma}{sub i} b{sub i}(x){partial_derivative}{sub i}. In this paper the diffusion process is approximated by Markov jump processes X{sub n}( Dot-Operator ), in homogeneous and isotropic grids G{sub n} Subset-Of Double-Struck-Capital-R {sup d}, which converge in distribution in the Skorokhod space D([0,{infinity}), Double-Struck-Capital-R {sup d}) to the diffusion X( Dot-Operator ). The generators of X{sub n}( Dot-Operator ) are constructed explicitly. Due to the homogeneity and isotropy of grids, the proposed method for d{>=}3 can be applied to processes for which the diffusion tensor {l_brace}a{sub ij}(x){r_brace}{sub 11}{sup dd} fulfills an additional condition. The proposed construction offers a simple method for simulation of sample paths of non-symmetric generalized diffusion. Simulations are carried out in terms of jump processes X{sub n}( Dot-Operator ). For piece-wise constant functions a{sub ij} on Double-Struck-Capital-R {sup d} and piece-wise continuous functions a{sub ij} on Double-Struck-Capital-R {sup 2} the construction and principal algorithm are described enabling an easy implementation into a computer code.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

CFD Simulation of an Inward-Turning Supersonic Inlet Unstart at Flight Mach Number 1.7

Interest in inward-turning supersonic inlets renewed during NASA’s Commercial Supersonic Technology Project, as a means of reducing disturbances caused by propulsion integration. Inward-turning designs have the potential to greatly reduce the strength of shock waves emanating outward from the nacelle, and therefore their contribution to the overall sonic boom signature. For top-mounted, or over-wing installations, disturbances to aircraft aerodynamics are reduced. The nature of the inward-turning geometry results in a boundary-layer thickening effect, opposite that of the familiar thinning of an outward-turning cone boundary-layer. The application of a small amount of boundary-layer bleed at the throat has been shown to alleviate the negative effects of the boundary-layer on subsonic diffuser performance. Boundary-layer bleed, however, comes at the expense of increased complexity, and external disturbances at bleed exits that would partially defeat the purpose of the inward-turning scheme. Vortex generators were proposed as an alternative to bleed, and an initial CFD study of their effectiveness in this application forms the basis of the present work. A source-term model in the Wind-US CFD code was used to model the effects of an array of vortex generators placed at the entrance to the subsonic diffuser. Baseline results with no vortex generators compared favorably to previously reported results with no bleed at back-pressures near the design point, but stability margin in the present case was limited by a curious non-linear phenomena similar to unstart in mixed-compression inlets. While some improvement was noted with vortex generators, their effectiveness was diminished by the limited stability margin. A time-accurate calculation was subsequently performed to better understand this process. Results of this calculation are presented and instantaneous solutions compared with steady-state, subcritical results previously reported. The stability margin limitation is attributed to the use of a constant-pressure outflow boundary condition, which differed from that used in the prior simulations.

Pre-Compressor Cooling, Water Injection, Hypersoni↗
DOE OSTI2011

Electrodynamic force of dielectric barrier discharge

The periodic electrostatic force of dielectric barrier discharge (DBD) in nitrogen for flow control is investigated by a system of physics-based, two-dimensional model equations. The plasma generation process of DBD is mainly the avalanche growth of electrons through the secondary emission from cathode. Therefore, the charged particle motion of a succession of random micro discharges can be approximated by the drift-diffusion model. The force of DBD generated by charge separation and accumulation over the dielectrics is obtained by solving the model equations with the rigorous media interface boundary condition of Maxwell equations in the time domain. The discharge structure and force components by different electrical permittivity and amplitudes of externally applied electrical potential are delineated and quantified.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Effects of Nonequilibrium Atomic Structure on Ionic Diffusivity in LLZO: A Classical and Machine Learning Molecular Dynamics Study

To improve the performance of electrochemical devices, it is essential to understand the effects of nonequilibrium motifs in solids, such as grain boundaries, amorphous phases, and highly strained regions, on atomic-scale transport and stability. Molecular dynamics simulations are used to explore the combined effect of far-from-equilibrium atomic structures and the choice of interatomic potential on ionic diffusivity predictions for Li 7 La 3 Zr 2 O 12 (LLZO), a promising solid electrolyte for all-solid-state batteries. Amorphization and high strain are considered using both classical Buckingham interatomic potentials and machine learning force fields. Here we find that both crystalline expansion and amorphization tend to slow diffusion, although the different physical encodings in the two potentials impact the properties in different ways. We trace these variations to a combination of structural and transport factors, the contributions of which are deconvoluted computationally. Graph-based analysis reveals that the variations for amorphous LLZO arise from the connectivity of diffusion pathways within the predicted structures, which generally correlates with diffusivity and is notably higher for structures generated by the machine learning force fields. Our study provides additional insight into the relationship between atomic structure and diffusivity in LLZO, while also highlighting the need for care in choosing and validating potentials to simulate far from equilibrium structures.

25 ENERGY STORAGE↗
DOE OSTI2025

A comparison of probabilistic generative frameworks for molecular simulations

Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking their performance on molecular data are lacking. Here, in this work, we introduce and explain several classes of generative models, broadly sorted into two categories: flow-based models and diffusion models. We select three representative models: neural spline flows, conditional flow matching, and denoising diffusion probabilistic models, and examine their accuracy, computational cost, and generation speed across datasets with tunable dimensionality, complexity, and modal asymmetry. Our findings are varied, with no one framework being the best for all purposes. In a nutshell, (i) neural spline flows do best at capturing mode asymmetry present in low-dimensional data, (ii) conditional flow matching outperforms other models for high-dimensional data with low complexity, and (iii) denoising diffusion probabilistic models appear the best for low-dimensional data with high complexity. Our datasets include a Gaussian mixture model and the dihedral torsion angle distribution of the Aib9 peptide, generated via a molecular dynamics simulation. We hope our taxonomy of probabilistic generative frameworks and numerical results may guide model selection for a wide range of molecular tasks.

Artificial intelligence↗
NASA NTRS1994

The Effects of Vortex Ingestion on the Flow in a Diffusing S-duct

An experimental study of the effects of an ingested vortex on the flowfield of a diffusing S-duct is reported. The vortex is generated through the use of a stationary pinwheel device mounted upstream of the diffusing S-duct. Three test conditions vary the location of the vortex in the duct inlet crossplane. For each condition of ingested vortex, a baseline S-duct and an S-duct with an array of vortex generators is examined. The data taken consist of duct inlet and exit crossplane surveys of velocity and total pressure. Duct surface flow visualization and static pressure are also recorded. The data acquired in these tests are compared to identical S-duct data taken in the absence of the ingested vortex. The ingested vortex is observed to have a strong influence on the flowfield inside (and exiting) the S-duct, but only when the vortex impinges at the inlet crossplane location coincident with the crossplane location of downstream flow separation within the duct. When the ingested vortex impinges at this location it reduces the extent of flowfield separation inside the baseline duct and promotes stronger crossflow in the exit plane of both the baseline duct and the duct with installed vortex generators. This enhanced crossflow also strengthens the vortices shed from the vortex generators. The other impingement locations of the ingested vortex are found to produce little effect on the flowfield of the duct with or without vortex generators.

Wendt, B. J.↗
NASA NTRS2008

The Dissipation Mechanism of Magnetic Reconnection

Magnetic reconnection is arguably the most efficient transport and energy conversion mechanism in almost ideal plasmas. Reconnection controls the overall dynamics in space and astrophysics plasmas, as well as in many laboratory plasma systems. Reconnection operates by means of a localized diffusion region, where deviations from the plasma idealness condition generate electric fields and permit plasma transport even far away from the diffusion region itself. Recent advances in analytic theory and computer modeling have begun to shed light on the internal dynamics of the diffusion region. In particular, we begin to understand the delicate nature of the force balance in the inner diffusion region, where particles can become unmagnetized and where electric field forces are important. This presentation will provide a brief introduction of the reconnection process and its applications. This introduction will be followed by a detailed analysis of the current understanding of dissipation region physics, and by an outlook toward future research.

Hesse, Michael↗
NASA NTRS2008

The Dissipation Mechanism of Magnetic Reconnection

Magnetic reconnection is arguably the most efficient transport and energy conversion mechanism in almost ideal plasmas. Reconnection controls the overall dynamics in space and astrophysics plasmas, as well as in many laboratory plasma systems. Reconnection operates by means of a localized diffusion region, where deviations from the plasma idealness condition generate electric fields and permit plasma transport even far away from the diffusion region itself. Recent advances in analytic theory and computer modeling have begun to shed light on the internal dynamics of the diffusion region. In particular, we begin to understand the delicate nature of the force balance in the inner diffusion region, where particles can become unmagnetized and where electric field forces are important. This presentation will provide a brief introduction of the reconnection process and its applications. This introduction will be followed by a detailed analysis of the current understanding of dissipation region physics, and by an outlook toward future research.

Hesse, Michael↗
NASA NTRS2007

The Inner Workings of Magnetic Reconnection

Magnetic reconnection is arguably the most efficient transport and energy conversion mechanism in almost ideal plasmas. Reconnection controls the overall dynamics in space and astrophysics plasmas, as well as in many laboratory plasma systems. Reconnection operates by means of a localized diffusion region, where deviations from the plasma idealness condition generate electric fields and permit plasma transport even far away from the diffusion region itself. Recent advances in analytic theory and computer modeling have begun to shed light on the internal dynamics of the diffusion region. In particular, we begin to understand the delicate nature of the force balance in the inner diffusion region, where particles can become unmagnetized and where electric field forces are important. This presentation will provide a brief introduction of the reconnection process and its applications. This introduction will be followed by a detailed analysis of the current understanding of dissipation region physics, and by an outlook toward future research.

Hesse, Michael↗
DOE OSTI2017

On the Effects of Pickup Ion-driven Waves on the Diffusion Tensor of Low-energy Electrons in the Heliosphere

The effects of Alfvén cyclotron waves generated due to the formation in the outer heliosphere of pickup ions on the transport coefficients of low-energy electrons is investigated here. To this end, parallel mean free path (MFP) expressions are derived from quasilinear theory, employing the damping model of dynamical turbulence. These are then used as inputs for existing expressions for the perpendicular MFP and turbulence-reduced drift coefficient. Using outputs generated by a two-component turbulence transport model, the resulting diffusion coefficients are compared with those derived using a more typically assumed turbulence spectral form, which neglects the effects of pickup ion-generated waves. It is found that the inclusion of pickup ion effects greatly leads to considerable reductions in the parallel and perpendicular MFPs of 1–10 MeV electrons beyond ∼10 au, which are argued to have significant consequences for studies of the transport of these particles.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Magnetic Flux Compression Concept for Nuclear Pulse Propulsion and Power

The desire for fast, efficient interplanetary transport requires propulsion systems having short acceleration times and very high specific impulse attributes. Unfortunately, most highly efficient propulsion systems which are within the capabilities of present day technologies are either very heavy or yield very low impulse such that the acceleration time to final velocity is too long to be of lasting interest, One exception, the nuclear thermal thruster, could achieve the desired acceleration but it would require inordinately large mass ratios to reach the range of desired final velocities. An alternative approach, among several competing concepts that are beyond our modern technical capabilities, is a pulsed thermonuclear device utilizing microfusion detonations. In this paper, we examine the feasibility of an innovative magnetic flux compression concept for utilizing microfusion detonations, assuming that such low yield nuclear bursts can be realized in practice. In this concept, a magnetic field is compressed between an expanding detonation driven diamagnetic plasma and a stationary structure formed from a high temperature superconductor (HTSC). In general, we are interested in accomplishing two important functions: (1) collimation of a hot diamagnetic plasma for direct thrust production; and (2) pulse power generation for dense plasma ignition. For the purposes of this research, it is assumed that rnicrofusion detonation technology may become available within a few decades, and that this approach could capitalize on recent advances in inertial confinement fusion ICF) technologies including magnetized target concepts and antimatter initiated nuclear detonations. The charged particle expansion velocity in these detonations can be on the order of 10 (exp 6)- 10 (exp 7) meters per second, and, if effectively collimated by a magnetic nozzle, can yield the Isp and the acceleration levels needed for practical interplanetary spaceflight. The ability to ignite pure fusion micro-bursts with reasonable levels of input energy is an equally challenging scientific problem. It remains to be seen, however, whether an effective ignition driver can be developed which meets the requirements for practical spaceflight application (namely high power density, compactness, low weight, and low cost). In this paper, system level performance and design issues are examined including generator performance, magnetic flux compression processes, magnetic diffusion processes, high temperature superconductor (HTSC) material properties, plasmadynamic processes, detonation plasma expansion processes, magnetohydrodynamic instabilities, magnetic nozzle performance, and thrust production performance. Representative generator performance calculations based on a simplified skin layer formulation are presented as well as the results of exploratory small-scale laboratory experiments on magnetic flux diffusion in HTSC materials. In addition, planned follow-on scientific feasibility experiments are described which utilize high explosive detonations and high energy gas discharges to simulate the plasma conditions associated with thermonuclear micro-detonations.

Litchford, Ronald J.↗
DOE OSTI2015

Quantification of the internal quantum efficiency in GaN via analysis of the heat generated by non-radiative recombination processes

The internal quantum efficiency (IQE) in a GaN epilayer is quantified using transient lens (TL) spectroscopy and numerical simulations. TL spectroscopy can optically detect temperature and carrier changes induced in a photo-pumped GaN layer, and the observed temperature change is closely associated with non-radiative recombination processes that create heat. Then numerically solving diffusion equations, which represent the diffusion processes of the photo-generated heat and carriers, provide the spatiotemporal distributions. These distributions are subsequently converted into the refractive index distributions, which act as transient convex or concave lenses. Finally, ray-tracing simulations predict the TL signals. Comparing the experimentally obtained and simulated TL signals quantifies the generated heat and the IQE without the often-adopted assumption that non-radiative recombination processes are negligible at low temperatures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Extending SLUSCHI for Automated Diffusion Calculations

We present an extension of the SLUSCHI package (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) to enable automated diffusion calculations from first-principles molecular dynamics. While the original SLUSCHI workflow was designed for melting temperature estimation via solid-liquid coexistence, we adapt its input and output handling to isolate the volume search stage and generate one production trajectory suitable for diffusion analysis. Post-processing tools parse VASP outputs, compute mean-square displacements (MSD), and extract tracer diffusivities using the Einstein relation with robust error estimates through block averaging. Diagnostic plots, including MSD curves, running slopes, and velocity autocorrelations, are produced automatically to help identify diffusive regimes. The method has been validated through representative case studies: self-diffusion in Al-Cu liquid alloys, sublattice melting in Li7La3Zr2O12 and Er2O3, interstitial oxygen transport in bcc and fcc Fe, and oxygen diffusivity in Fe-O liquids with variable Si and Al contents. Viscosity and diffusivity are linked through the Stokes-Einstein relation, with composition dependence assessed via simple linear mixing. This capability broadens SLUSCHI from melting-point predictions to transport property evaluation, enabling high-throughput, fully first-principles datasets of diffusion coefficients and viscosities across metals and oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Indistinguishable telecom band photons from a single Er ion in the solid state

Atomic defects in the solid state are a key component of quantum repeater networks for long-distance quantum communication1. Recently, there has been significant interest in rare earth ions, in particular Er 3+ for its telecom band optical transition that allows long-distance transmission in optical fibres. However, the development of repeater nodes based on rare earth ions has been hampered by optical spectral diffusion, precluding indistinguishable single-photon generation. Here, we implant Er 3+ into CaWO 4 , a material that combines a non-polar site symmetry, low decoherence from nuclear spins and is free of background rare earth ions, to realize significantly reduced optical spectral diffusion. For shallow implanted ions coupled to nanophotonic cavities with large Purcell factor, we observe single-scan optical linewidths of 150 kHz and long-term spectral diffusion of 63 kHz, both close to the Purcell-enhanced radiative linewidth of 21 kHz. This enables the observation of Hong–Ou–Mandel interference between successively emitted photons with a visibility of V = 80(4)%, measured after a 36 km delay line. We also observe spin relaxation times T 1,s = 3.7 s and T 2,s > 200 μs, with the latter limited by paramagnetic impurities in the crystal instead of nuclear spins. Furthermore, this represents a notable step towards the construction of telecom band quantum repeater networks with single Er 3+ ions.

42 ENGINEERING↗
DOE OSTI2026

Collision operator for electron runaway in cold weakly ionised plasmas

In cold weakly ionised plasmas, the Dreicer generation mechanism can be non-diffusive as demonstrated in a recent study. By expanding the previous letter, we present the detailed description of a proper collision operator to precisely account for the non-diffusive electron kinetics. The operator appropriately combines the Fokker–Planck operator and Boltzmann operator where free-bound collision cross-sections are valid in the low-energy region. The proposed operator is envisaged to predict runaway electron generation in cold weakly ionised plasmas, particularly to design a runaway-free reactor tokamak start-up.

fusion plasma↗