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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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NASA NTRS1997

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

Since 1986, the NASA-Langley Research Center has sponsored the NASA-UVa Light Alloy and Structures Technology (LA2ST) Program at the University of Virginia (UVa). The fundamental objective of the LA2ST program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures. The LA2ST program has aimed to product relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies. The scope of the LA2ST Program is broad. Research areas include: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals and Composites, (2) Aerospace Materials Science, (3) Mechanics of materials for Aerospace Structures, and (4) Thermal Gradient Structures. A substantial series of semi-annual progress reports issued since 1987 documents the technical objectives, experimental or analytical procedures, and detailed results of graduate student research in these topical areas.

Gangloff, Richard P.↗

DOE OSTI2023

Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study

Accurate prediction of a spin-state energy difference is crucial for understanding the spin crossover phenomena and is very challenging for density functional approximations, especially for local and semi-local approximations due to delocalization errors. Here, we investigate the effect of the self-interaction error removal from the local spin density approximation (LSDA) and Perdew–Burke–Ernzerhof generalized gradient approximation on the spin-state gaps of Fe(II) complexes with various ligands using recently developed locally scaled self-interaction correction (LSIC) by Zope et al. [J. Chem. Phys. 151, 214108 (2019)]. The LSIC method is exact for one-electron density, recovers the uniform electron gas limit of the underlying functional, and approaches the well-known Perdew–Zunger self-interaction correction (PZSIC) as a particular case when the scaling factor is set to unity. Our results, when compared with reference diffusion Monte Carlo results, show that the PZSIC method significantly overestimates spin-state gaps favoring low spin states for all ligands and does not improve upon density functional approximations. The perturbative LSIC-LSDA using PZSIC densities significantly improves the gaps with a mean absolute error of 0.51 eV but slightly overcorrects for the stronger CO ligands. Finally, the quasi-self-consistent LSIC-LSDA, such as coupled-cluster single double and perturbative triple [CCSD(T)], gives a correct sign of spin-state gaps for all ligands with a mean absolute error of 0.56 eV, comparable to that of CCSD(T) (0.49 eV).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Asymmetry between deuterium and tritium turbulent particle flows

The asymmetry between deuterium (D) and tritium (T) turbulent particle fluxes in mixed D–T plasmas is studied with numerical simulations of nonlinear gyrokinetic turbulence in ion temperature gradient-dominated and trapped electron mode-dominated regimes. At 50–50 D–T concentration, the asymmetry, or flow separation, between D and T fluxes is such that the tritium is better confined than the deuterium in both regimes. To supplement the nonlinear simulations, an analytic quasilinear theory of the particle flux symmetry breaking is developed and is valid for general electron dynamics. Furthermore, this theory correctly predicts the numerically computed deviation in the ion density fraction (from 50–50), or ion density gradient (from the electron gradient), required to restore equal deuterium and tritium fluxes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1989

Downward continuation of the free-air gravity anomalies to the ellipsoid using the gradient solution and terrain correction: An attempt of global numerical computations

The formulas for the determination of the coefficients of the spherical harmonic expansion of the disturbing potential of the earth are defined for data given on a sphere. In order to determine the spherical harmonic coefficients, the gravity anomalies have to be analytically downward continued from the earth's surface to a sphere-at least to the ellipsoid. The goal is to continue the gravity anomalies from the earth's surface downward to the ellipsoid using recent elevation models. The basic method for the downward continuation is the gradient solution (the g sub 1 term). The terrain correction was also computed because of the role it can play as a correction term when calculating harmonic coefficients from surface gravity data. The fast Fourier transformation was applied to the computations.

Wang, Y. M.↗

NASA NTRS1977

Unsteady supersonic aerodynamic theory for interfering surfaces by the method of potential gradient

A generalized solution of the hyperbolic wave equation was further developed to relate the velocity components at a field point to the potential gradient distribution in the dependence domain. Singular integrals were evaluated in closed form, with numerical integration methods for more complex but analytic functions. Idealization of the lifting surfaces by trapezoidal elements with two sides parallel to the streamlines is computationally efficient. Streamwise integrals were performed analytically, and spanwise integrals were neccessary only on element leading and trailing sides. All integrands vanish on the Mach cone. Pressure distribution on a double delta wing and generalized aerodynamic coefficients for three AGARD planforms were calculated and compared with available results.

Jones, W. P.↗

NASA NTRS1987

Galactic chemical evolution - Z versus ln(1/mu) relationship

The ways in which a radial abundance gradient in a disk galaxy may be interpreted are reexamined, asking how metallicity Z depends upon gas mass fraction mu in analytic models characterized by a temporally varying history of metal-poor infall. Six different such models are studied, and it is shown that the metallicity versus gas fraction relationship is well approximated by an expression which is the analog of the Z = y ln(1/mu) relation for closed evolution. The approximation appears valid when the infall rate is nonneglible, but not so great that it dominates the gas budget.

Clayton, Donald D.↗

NASA NTRS1992

Effects of solar radiation pressure torque on the rotational motion of an artificial satellite

The motion of an artificial satellite about its center of mass is studied considering torques due to the gravity gradient and direct solar radiation pressure. A model for direct solar radiation torque is derived for a circular cylindrical satellite. An analytical solution is obtained by the method of variation of the parameters. This solution shows that the angular variables have secular variation but that the modulus of the rotational angular momentum, the projection of rotational angular momentum on the z axis of the moment of inertia and inertial axis z, suffer only periodic variations. Considering a hypothetical artificial satellite, a numerical application is demonstrated.

Zanardi, Maria Cecilia F. P. S.↗

NASA NTRS2011

Relaxing USOS Solar Array Constraints for Russian Vehicle Undocking

With the retirement of Space Shuttle cargo delivery capability and the ten year life extension of the International Space Station (ISS) more emphasis is being put on preservation of the service life of ISS critical components. Current restrictions on the United States Orbital Segment (USOS) Solar Array (SA) positioning during Russian Vehicle (RV) departure from ISS nadir and zenith ports cause SA to be positioned in the plume field of Service Module thrusters and lead to degradation of SAs as well as potential damage to Sun tracking Beta Gimbal Assemblies (BGA). These restrictions are imposed because of the single fault tolerant RV Motion Control System (MCS), which does not meet ISS Safety requirements for catastrophic hazards and dictates 16 degree Solar Array Rotary Joint position, which ensures that ISS and RV relative motion post separation, does lead to collision. The purpose of this paper is to describe a methodology and the analysis that was performed to determine relative motion trajectories of the ISS and separating RV for nominal and contingency cases. Analysis was performed in three phases that included ISS free drift prior to Visiting Vehicle separation, ISS and Visiting Vehicle relative motion analysis and clearance analysis. First, the ISS free drift analysis determined the worst case attitude and attitude rate excursions prior to RV separation based on a series of different configurations and mass properties. Next, the relative motion analysis calculated the separation trajectories while varying the initial conditions, such as docking mechanism performance, Visiting Vehicle MCS failure, departure port location, ISS attitude and attitude rates at the time of separation, etc. The analysis employed both orbital mechanics and rigid body rotation calculations while accounting for various atmospheric conditions and gravity gradient effects. The resulting relative motion trajectories were then used to determine the worst case separation envelopes during the clearance analysis. Analytical models were developed individually for each stage and the results were used to build initial conditions for the following stages. In addition to the analysis approach, this paper also discusses the analysis results, showing worst case relative motion envelopes, the recommendations for ISS appendage positioning and the suggested approach for future analyses.

Menkin, Evgeny↗

NASA NTRS2013

Thermal Testing of a Stacked Core Mirror for UV Applications

The ASTRO2010 Decadal Survey stated that an advanced large-aperture ultraviolet, optical, near-infrared (UVOIR) telescope is required to enable the next generation of compelling astrophysics and exoplanet science; and, that present technology is not mature enough to affordably build and launch any potential UVOIR mission concept. Under Science and Technology funding, NASA's Marshall Space Flight Center and ITT Exelis have developed a more cost effective process to make 4m monolithic spaceflight UV quality, low areal density, thermally and dynamically stable primary mirrors. A proof of concept mirror was built and tested down to 250K which would allow imaging out to 2.5 microns. This mirror was thermally tested at the Marshall Spaceflight Center to understand the thermal changes between the processing temperature of 293K and the potential low end of the operational temperature of 250K. Isothermal testing results and front plate gradient results have been evaluated and compared to analysis predictions. Measurement of gravity effects on surface figure will be compared to analytical predictions. Future testing of a larger Pathfinder mirror will also be discussed.

Matthews, Gary↗

NASA NTRS2013

Thermal Testing of a Stacked Core Mirror for UV Applications

Matthews, Gary W.↗

NASA NTRS2019

Accelerated Simulation of Air Pollution Using NVIDIA RAPIDS

Atmospheric chemistry models are a central tool to study and forecast the impact of air pollution on the environment, vegetation, and human health. However, the numerical simulation of chemical kinetics is computationally expensive due to the stiffness of the system of ordinary differential equations that describes atmospheric chemistry. Here we present an alternative approach to the computation of atmospheric chemistry based on machine learning. Our training data set is produced using the NASA Goddard Earth Observing System (GEOS) model with GEOS-Chem chemistry, run on the NASA Center for Climate Simulation (NCCS) Discover supercomputing cluster on 384 Intel Xeon Haswell cores. This model spends more than 50% of total run time on solving atmospheric chemistry. The data set contains as input features the air pollution concentrations before solving the differential equations, together with some key physical parameters such as temperature and sun intensity. As target variables we define the air pollution concentrations after solving the differential equations. Using Dask-cuDF and Dask-XGBoost on the NVIDIA RAPIDS platform on 8 Tesla V100 GPUs, we generate from this training set gradient boosted decision tree models that can reproduce the simulation of chemical kinetics. We do this on the NCCS Advanced Data Analytics Platform (ADAPT) science cloud environment. Our application takes full advantage of recent advances in Dask-XGBoost, such as multi-node and multi-GPU scaling for distributed training with large data sets. The increase in training data size enabled by this is critical to capture the full range of chemical environments encountered across the globe and all annual seasons.The boosted tree models offer good predictability and show many of the features of the full chemistry reference simulation. Further improvements can be achieved through mass balance considerations and by accounting for error correlations. We incorporate the boosted tree models into the GEOS reference model using XGBoost's C API. This enables a seamless integration of the GPU trained models into GEOS-Chem, which is written in Fortran and optimized for use in a massively parallel CPU environment. We show the benefits of this approach and discuss the potential speedup of this machine learning accelerated atmospheric chemistry model.

Keller, Christoph A.↗

NASA NTRS1994

Nonlinear stability of oscillatory core-annular flow: A generalized Kuramoto-Sivashinsky equation with time periodic coefficients

In this paper the nonlinear stability of two-phase core-annular flow in a pipe is examined when the acting pressure gradient is modulated by time harmonic oscillations and viscosity stratification and interfacial tension is present. An exact solution of the Navier-Stokes equations is used as the background state to develop an asymptotic theory valid for thin annular layers, which leads to a novel nonlinear evolution describing the spatio-temporal evolution of the interface. The evolution equation is an extension of the equation found for constant pressure gradients and generalizes the Kuramoto-Sivashinsky equation with dispersive effects found by Papageorgiou, Maldarelli & Rumschitzki, Phys. Fluids A 2(3), 1990, pp. 340-352, to a similar system with time periodic coefficients. The distinct regimes of slow and moderate flow are considered and the corresponding evolution is derived. Certain solutions are described analytically in the neighborhood of the first bifurcation point by use of multiple scales asymptotics. Extensive numerical experiments, using dynamical systems ideas, are carried out in order to evaluate the effect of the oscillatory pressure gradient on the solutions in the presence of a constant pressure gradient.

Coward, Adrian V.↗

DOE OSTI2020

Nanostructured Tube Wakefield Accelerator

Unprecedented $\rm TeVm^{-1}$ acceleration gradients are modeled to be realizable using a nonlinear surface crunch-in mode in nanostructured tubes. This mode is realizable using advances in nanofabrication and solid energy density attosecond bunch compression. Three dimensional computational and analytical modeling demonstrates GeV energy gain in sub-millimeter long tubes with effective wall densities $n_{\rm t}\sim10^{22-24}\rm cm^{-3}$ and hundreds of nanometer core radius when driven by submicron near solid electron beams, $n_{\rm b}\sim0.05n_{\rm t}$. Besides the many $\rm TVm^{-1}$ average gradients, strong self-focusing and nanomodulation of the beam which increases its peak density and the wakefield strength also opens up controlled high-energy photon production.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Rigorous Models for Vapor Diffusion in Polymers with Immobilization and Chemical Potential Gradients

Not Available

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Simulation toolkit for digital material characterization of large image-based microstructures

In this paper, an efficient image-based simulation toolkit for material characterization is presented, which is scalable to work from personal computers to workstations. The effective thermal conductivity, elasticity, and permeability are evaluated employing a computational homogenization framework based on the Finite Element Method (FEM). Two complementary open-source packages are presented: one developed in Python, which can convert digital images into voxel meshes (pyTomoviewer); the other developed in Julia, that can run numerical simulations to compute effective material properties (chpack). Also, a CUDA C version of chpack is provided (chfem_gpu). They were designed to deal with large multi-phase models, so strategies were devised to minimize their memory footprint, while avoiding a high toll on execution time. The voxel-based approach significantly simplifies the FEM meshes and allows efficient matrix-free implementations. In that sense, to handle large linear systems of equations, the element-by-element (EBE) technique is adopted, in conjunction with a low-memory implementation of the Preconditioned Conjugate Gradient (PCG) method. Finally, the code was thoroughly tested on an artificial geometry made of a square array of cylinders, for which analytical solutions exist, as well as on a real micro-tomographic reconstruction of FiberForm TM , a carbon preform commonly used in thermal protection systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Collisionless conduction in a high-beta plasma: a collision operator for whistler turbulence

The regulation of electron heat transport in high-β, weakly collisional, magnetized plasma is investigated. A temperature gradient oriented along a mean magnetic field can induce a kinetic heat-flux-driven whistler instability (HWI), which back-reacts on the transport by scattering electrons and impeding their flow. Previous analytical and numerical studies have shown that the heat flux for the saturated HWI scales as β$^{-1}_{e}$. These numerical studies, however, had limited scale separation and consequently large fluctuation amplitudes, which calls into question their relevance at astrophysical scales. To this end, we perform a series of particle-in-cell simulations of the HWI across a range of β$_e$ and temperature-gradient length scales under two different physical set-ups. The saturated heat flux in all of our simulations follows the expected β$^{-1}_{e}$ scaling, supporting the robustness of the result. We also use our simulation results to develop and implement several methods to construct an effective collision operator for whistler turbulence. The results point to an issue with the standard quasi-linear explanation of HWI saturation, which is analogous to the well-known 90° scattering problem in the cosmic-ray community. Despite this limitation, the methods developed here can serve as a blueprint for future work seeking to characterize the effective collisionality caused by kinetic instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Interpretation of high-harmonic fast-wave propagation in the scrape-off layer of NSTX-U as a geometrically bounded-waveguide mode

This paper revisits the onset of high-harmonic fast-wave (HHFW) propagation in the scrape-off layer (SOL) plasma of the NSTX/NSTX-U spherical tokamak, motivated by past HHFW heating and current drive experiments and modelling. Previously, the fast-wave propagation in the SOL was correlated with the opening (suppression) of the fast-wave right-hand cutoff layer in front of the antenna. In this work, the SOL propagation is interpreted as a geometric waveguide mode guided by the SOL geometry, whose radial width can be comparable to the wave’s perpendicular wavelength in the HHFW regime. A two-dimensional circular model is first employed using full-wave solvers to characterise the poloidal eigenmode structures and to clarify their relationship to annulus resonance. By progressively adding a tokamak-like magnetic-field configuration, starting from a uniform axial field, the effects of magnetic-field gradients and pitch on the SOL waveguide mode are characterised. The poloidal mode numbers supported by the SOL plasma agree well with analytic estimates, indicating that an anisotropic plasma in a bounded geometry selectively supports and amplifies the resonant poloidal mode number. Additionally, two-dimensional axisymmetric NSTX-U simulations demonstrate that the SOL eigenmode features identified in the circular model persist in the experimentally relevant configurations. A control approach based on lengthening the wave perpendicular wavelength relative to the SOL width, including a higher magnetic (B)-field operation, is discussed. The analysis here shows the key role of a bounded geometry in interpreting HHFW eigenmode coupling and propagation in the NSTX-U SOL plasma.

plasma heating↗

DOE OSTI2020

Pair plasma instability in homogeneous magnetic guide fields

Pair plasmas, collections of both matter and antimatter particles of equal mass, represent a paradigm for the study of basic plasma science, and many open questions exist regarding these unique systems. They are found in many astrophysical settings, such as gamma-ray bursts, and have recently also been produced in carefully designed laboratory experiments. A central research topic in plasma physics is instability; however, unlike their more common ion–electron siblings, pair plasmas are generally thought to be stable to cross field pressure gradients in homogeneous magnetic fields. It is shown here by means of kinetic full-f simulations that, when a pressure gradient is first established, the Gradient-driven Drift Coupling mode is destabilized and becomes turbulent. Force balance is eventually achieved by a combination of flattened pressure profiles due to turbulent transport and establishment of a magnetic field gradient, saturating the growth. During the unstable phase, key physics can be captured by a δf gyrokinetic description, where it is shown analytically and numerically that parallel particle motion results in a coupling of all electromagnetic field components. A fluid model derived therefrom accurately predicts linear eigenmodes and is used to resolve global profile effects. For laser-based electron–positron plasma experiments, prompt instability is predicted with growth times much shorter than plasma lifetimes. Similarly, growth rates are calculated for the planned APEX experiment as well as gamma-ray burst scenarios, suggesting that the instability may contribute to the early evolution of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗