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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

GEAR-MC and Differential-Operator Methods Applied to Electron-Photon Transport in the Integrated TIGER Series

The sensitivity analysis algorithms that have been developed by the radiation transport community in multiple neutron transport codes, such as MCNP and SCALE, are extensively used by fields such as the nuclear criticality community. However, these techniques have seldom been considered for electron transport applications. In the past, the differential-operator method with the single scatter capability has been implemented in Sandia National Laboratories’ Integrated TIGER Series (ITS) coupled electron-photon transport code. This work is meant to extend the available sensitivity estimation techniques in ITS by implementing an adjoint-based sensitivity method, GEAR-MC, to strengthen its sensitivity analysis capabilities. To ensure the accuracy of this method being extended to coupled electron-photon transport, it is compared against the central-difference and differential-operator methodologies to estimate sensitivity coefficients for an experiment performed by McLaughlin and Hussman. Energy deposition sensitivities were calculated using all three methods, and the comparison between them has provided confidence in the accuracy of the newly implemented method. Unlike the current implementation of the differential-operator method in ITS, the GEAR-MC method was implemented with the option to calculate the energy-dependent energy deposition sensitivities, which are the sensitivity coefficients for energy deposition tallies to energy-dependent cross sections. The energy-dependent cross sections could be the cross sections for the material, elements in the material, or reactions of interest for the element. Further, these sensitivities were compared to the energy-integrated sensitivity coefficients and exhibited a maximum percentage difference of 2.15%.

42 ENGINEERING↗
NASA NTRS1993

(abstract) Alkali Metal Diffusion Through Porous Metal Electrodes in AMTEC Cells

The mechanisms of mass transport of an alkali metal through porous metal electrodes in alkali metal thermal-to-electric converter AMTEC cells is important in optimizing these high current density devices, but also affords the opportunity to investigate a variety of simple mass transport modes at high temperatures via electrochemical techniques. We have previously reported evidence of ionic, free molecular flow, and surface transport of sodium in several types of AMTEC electrodes. Quantitative investigations of Na transport through WPt(sub 3.5) via surface or grain boundary diffusion, and K transport through porous Mo electrodes by free molecular flow, over large ranges of temperature have been performed. WPt(sub 3.5) has especially low transport impedance over the 950 to 1200K temperature range. New results are the Na through porous WPt(sub 3.5) and K through porous Mo diffusion rates and mechanisms.

alkali metal mass transport porous metal electrode↗
NASA NTRS1994

Techniques to improve maneuver stability characteristics of a nonlinear wide-body transport airplane in cruise flight

The maneuver control stability characteristics of an aircraft are a flying qualities parameter of critical importance, to ensure structural protection as well as adequate predictability to the pilot. Currently, however, maneuver stability characteristics are not uniquely addressed in the Federal Aviation Regulations (FAR) Part 25, for transport aircraft. In past transport category certification programs, the Federal Aviation Administration (FAA) has used a combination of requirements (longitudinal control, vibration and buffeting, high-speed characteristics, and out-of-trim characteristics) to ensure safe and controllable maneuver stability characteristics over a range of flight conditions and airplane configurations. Controversies exist regarding each of these regulations, however, and considerable expenditures in terms of design studies and testing time have resulted from the requirements. It is also recognized that additional engineering guidance is needed for identifying acceptable nonlinear maneuver stability characteristics, particularly as they relate to relaxed stability, highly augmented transport configurations. The current trend in large aircraft design is toward relaxed, or even negative, static margins for improved fuel efficiency. The advanced flight control systems developed for these aircraft, in many instances, have rendered current aforementioned maneuver stability criteria either too stringent or of little practical use. Current design requirements do not account for these advanced designs. The objective was to evaluate a broad spectrum of linear and nonlinear longitudinal stability characteristics to generate data for defining satisfactory and unacceptable maneuver characteristics, as defined by pilot opinion. Primary emphasis was placed on two techniques of varying column force per normal acceleration. This study was a joint venture with four pilots participating; one from NASA, one from the FAA, and two from industry.

Grantham, William D.↗
NASA NTRS1986

On the boundary treatment in spectral methods for hyperbolic systems

Spectral methods were successfully applied to the simulation of slow transients in gas transportation networks. Implicit time advancing techniques are naturally suggested by the nature of the problem. The correct treatment of the boundary conditions are clarified in order to avoid any stability restriction originated by the boundaries. The Beam and Warming and the Lerat schemes are unconditionally linearly stable when used with a Chebyshev pseudospectral method. Engineering accuracy for a gas transportation problem is achieved at Courant numbers up to 100.

Canuto, C.↗
NASA NTRS1987

On the boundary treatment in spectral methods for hyperbolic systems

Spectral methods were successfully applied to the simulation of slow transients in gas transportation networks. Implicit time advancing techniques are naturally suggested by the nature of the problem. The correct treatment of the boundary conditions is clarified in order to avoid any stability restriction originated by the boundaries. The Beam and Warming and the Lerat schemes are unconditionally linearly stable when used with a Chebyshev pseudospectral method. Engineering accuracy for a gas transportation problem is achieved at Courant numbers up to 100.

Canuto, Claudio↗
NASA NTRS1994

Quasi-horizontal transport and mixing in the Antarctic stratosphre

The quasi-horizontal transport and mixing properties of the Antarctic stratosphere are investigated with a simi-Lagrangian transport model and a 'contour advection' technique for the winter and spring of 1992 using analyzed winds from the United Kingdom Meteorological Office data assimiliation system. Transport calculations show that passive tracers are well mixed inside the polar vortex as well as in the midlatitude 'surf zone.' A the vortex edge, strong radial gradients in the tracer fields are well preserved, and their evolutions follow that of the potential vorticity until some time after the breakdown of the polar vortex. In the middle stratosphere there is little tracer exchange across the vortex edge in August and September. Some vortex air is eroded into the surf zone in filamentary form in October, and very strong exchange of air occurs between high and middle latitudes in November. In the lower stratosphere the vortex is not so isolated from the midlatitudes as in the middle stratosphere, and there is more mass exchange across the vortex edge. Calculations of the lengthening of material contours using the contour advection technique show that in the middle stratosphere, strong stirring (i.e., stretching and folding of material elements) occurs in the inner vortex, while the strongest stirring occurs in the midlatitude surf zone and the weakest occurs at the vortex edge. In the lower strtosphere, strong stirring occurs in the inner vortex. Stirring is moderate at the vortex edge and in the midlatitudes.

Chen, Ping↗
DOE OSTI2023

Automated Symbolic Upscaling: 1. Model Generation for Extended Applicability Regimes

Abstract In porous media theory, upscaling techniques are fundamental to deriving rigorous Darcy‐scale models for flow and reactive transport in subsurface systems. Due to limitations in classical techniques, a number of ad hoc approaches have been proposed to address physical regimes in which reactive time scales are similar to, or faster than, diffusive time scales. In Part 1 of this two part series, we present a strategy for expanding the applicability of classical homogenization theory by generalizing the assumed closure form. We detail the implementation of this strategy on two reactive mass transport problems with moderately reactive physics. The strategy produces nontrivial homogenized models with emergent terms and effective parameters that couple reactive, diffusive, and advective transport. The differences in equation forms between the macroscopic and pore‐scale descriptions advise caution to further studies where the forms of macroscopic equations are assumed, as opposed to rigorously derived. Numerical validation is provided for each problem to show that the error estimates of homogenization theory are satisfied, and to justify the implemented strategy. In Part 2, the presented strategy is automated using symbolic computing to expedite its implementation.

Pietrzyk, Kyle↗
NASA NTRS1987

Reconstruction techniques of holograms from Spacelab 3

Fluid transport effects in a ground-based laboratory are fairly well known. Bouyancy driven transport occurs when there is a local density change in the fluid. In a low-g environment these density changes become less important, and other transport mechanisms dominate. To better understand fluid flows in a low-g environment, a fluid experiment system (FES) was designed to fly aboard the Shuttle orbiter in Spacelab. The FES is a holographic system designed for acquisition of the maximum amount of data from an experiment. The FES flew for the first time in May 1985 on Spacelab 3 for investigation of triglycine sulfate (TGS) crystal growth in low-g. This paper describes the FES optical system. The reconstruction techniques of the holograms are examined in detail, and the multiuser and reflight capabilities are discussed. Proposed future experiments are mentioned.

Witherow, William K.↗
NASA NTRS1979

Low-speed wind-tunnel parametric investigation of flight spoilers as trailing-vortex-alleviation devices on a transport aircraft model

The trailing-wing sensor technique was used in the Langley V/STOL tunnel to determine the effectiveness of 11 combinations of the existing flight-spoiler segments on a jumbo-jet transport aircraft model when they were deflected as trailing-vortex-alleviation devices. All 11 of the flight-spoiler configurations investigated were effective in reducing the induced rolling moment on the trailing model. This investigation is an extension of earlier wind-tunnel and flight tests which showed that the existing flight spoilers on the jumbo-jet aircraft can be used as effective trailing-vortex-alleviation devices. Essentially, all of the reduction in induced rolling moment on the trailing-wing model was realized at a spoiler deflection of 45 deg for single-spoiler configurations, 30 for two-spoiler configurations, and 15 deg for both the three- and four-spoiler configurations. Of the 11 flight-spoiler configurations investigated, the most promising configuration for trailing-vortex abatement on the jumbo-jet aircraft appears to be the three inboard flight spoilers deflected 15 deg.

Croom, D. R.↗
DOE OSTI2024

Electric-Field-Driven Localization of Molecular Nanowires in Wafer-Scale Nanogap Electrodes

As integrated circuits continue to scale toward the atomic limit, bottom-up processes, such as epitaxial growth, have come to feature prominently in their fabrication. At the same time, chemistry has developed highly tunable molecular semiconductors that can perform the functions of ultimately scaled circuit components. Hybrid techniques that integrate programmable structures comprising molecular components into devices however are sorely lacking. Here we demonstrate a wafer-scale process that directs the localization of a conductive polymer, M w = 20 kg mol –1 polyaniline, from dilute solutions into 50 nm vertical nanogap device architectures using electric-field-driven self-assembly. The resulting metal–polymer–metal junctions were characterized by electron microscopy, Raman spectroscopy and transport measurements demonstrating that our technique is highly selective, assembling conductive polymers only in electrically activated nanogaps. Our results represent a step toward scalable hybrid nanoelectronics that seamlessly integrate established lithographic top-down fabrication with bottom-up synthesized molecular functional circuit components.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Balancing solvation: stabilizing lithium metal batteries via optimized cosolvents for ionic-liquid electrolytes

In this study, we examined three cosolvents with distinct solvation capabilities for ionic-liquid electrolytes based on 1-methyl-1-propyl pyrrolidinium bis(fluorosulfonyl)imide (Py13FSI). We demonstrate that 1,1,1-trifluoro-2-(2-(2-(2,2,2-trifluoroethoxy)ethoxy)ethoxy)ethane (FDG) notably enhances the cycle life of Py13FSI-based electrolytes, outperforming 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropylether (TTE) and diglyme (DG). Electrochemical and surface analyses showed that this improvement could be attributed to the formation of a favorable cathode interphase, promoting efficient Li+ transport with reduced overpotential. Spectroscopic techniques (FTIR, Raman, and NMR spectroscopy) and molecular dynamics simulations revealed that cosolvents with varying solvation abilities can influence the solvation structures in Py13FSI-based electrolytes. The mild solvating strength and lithium stability of FDG are key contributors to its effectiveness. Conversely, DG, a strong solvating solvent, destabilized the Py13FSI-DG electrolyte at the lithium metal anode, while TTE, a non-solvating solvent, failed to enhance lithium transport or form a stable cathode interphase. Our findings highlight that balanced solvation exerted by the cosolvents is critical for forming a stable electrolyte–cathode interface, potentially through FSI decomposition. This study offers valuable insights into the development of durable ionic-liquid electrolytes, emphasizing the importance of selecting cosolvents with optimal solvation properties.

Li, Xinlin [Argonne National Laboratory (ANL), Arg↗
NASA NTRS2020

Development of a Thermal Management System for Electrified Aircraft

This paper describes the development and optimization of a conceptual thermal management system for electrified aircraft. Here, a vertical takeoff and landing (VTOL) vehicle is analyzed with the following electrically sourced heat loads considered: motors, generators, rectifiers, and inverters. The vehicle will employ liquid-cooling techniques in order to acquire, transport, and reject waste heat from the vehicle. The purpose of this paper is to threefold: 1) Present a potential modeling framework for system level thermal management system simulation, 2) Analyze typical system characteristics, and 3) Perform optimization on a system developed for a specific vehicle to minimize weight gain, power utilization, and drag. Additionally, the paper will study the design process, specifically investigating the differences between steady state and transient sizing, comparing simulation techniques with a lower fidelity option and quantifying expected error.

Chapman, Jeffryes W.↗
NASA NTRS1999

A Superposition Technique for Deriving Photon Scattering Statistics in Plane-Parallel Cloudy Atmospheres

Photon transport in a multiple scattering medium is critically dependent on scattering statistics, in particular the average number of scatterings. A superposition technique is derived to accurately determine the average number of scatterings encountered by reflected and transmitted photons within arbitrary layers in plane-parallel, vertically inhomogeneous clouds. As expected, the resulting scattering number profiles are highly dependent on cloud particle absorption and solar/viewing geometry. The technique uses efficient adding and doubling radiative transfer procedures, avoiding traditional time-intensive Monte Carlo methods. Derived superposition formulae are applied to a variety of geometries and cloud models, and selected results are compared with Monte Carlo calculations. Cloud remote sensing techniques that use solar reflectance or transmittance measurements generally assume a homogeneous plane-parallel cloud structure. The scales over which this assumption is relevant, in both the vertical and horizontal, can be obtained from the superposition calculations. Though the emphasis is on photon transport in clouds, the derived technique is applicable to any scattering plane-parallel radiative transfer problem, including arbitrary combinations of cloud, aerosol, and gas layers in the atmosphere.

Platnick, S.↗
NASA NTRS1988

Mobile transporter path planning using a genetic algorithm approach

The use of an optimization technique known as a genetic algorithm for solving the mobile transporter path planning problem is investigated. The mobile transporter is a traveling robotic vehicle proposed for the Space Station which must be able to reach any point of the structure autonomously. Specific elements of the genetic algorithm are explored in both a theoretical and experimental sense. Recent developments in genetic algorithm theory are shown to be particularly effective in a path planning problem domain, though problem areas can be cited which require more research. However, trajectory planning problems are common in space systems and the genetic algorithm provides an attractive alternative to the classical techniques used to solve these problems.

Baffes, Paul↗
DOE OSTI2024

A computational approach to complex junctions and interfaces

Molecular- and nano- junctions, surfaces, interfaces, and interfacial processes have been the subjects of this DOE supported program for about 20 years. We have investigated electronic and magnetic structure, spin-dependent charge transport, and emerging phenomena at surfaces and interfaces in a number of physical systems ranging from nano-clusters, to nanowires, to two-dimensional (2D) crystals and their interactions, to bulk matter. Eighty-four refereed papers were published [1-84], with a majority effort from the group led by the PI, and over a hundred presentations were made at international conferences. We use first-principles methods in the framework of density functional theory in conjunction with nano-equilibrium Green function techniques, semi-empirical Boltzmann transport theory, tight-binding models, and the Hubbard model and many-body wavefunction approaches. In pursuing our scientific goals, we have also developed a number of computational algorithms and computational packages.

2D materials↗
DOE OSTI2025

Geologic hydrogen: a review of resource potential, subsurface dynamics, exploration, production, transportation, and research opportunities

Hydrogen is a versatile resource with critical roles in decarbonization, industrial manufacturing, and energy integration. However, most hydrogen today is produced from fossil fuels, resulting in high emissions and energy consumption. Although low-carbon hydrogen production methods, such as steam methane reforming with carbon capture and renewable-powered electrolysis, are advancing, their high costs hinder large-scale deployment. Identifying alternative pathways for producing low-cost, low-emission hydrogen is therefore essential. Geologic hydrogen, referring to natural and stimulated hydrogen generated in the Earth's subsurface, has attracted growing attention as a potential source of sustainable, economically viable, and environmentally favorable hydrogen. This paper provides a comprehensive review of geologic hydrogen, covering its resource potential, origins, migration and trapping mechanisms, exploration techniques, production strategies, and pipeline transportation. It also identifies key knowledge gaps and proposes a roadmap for future research. The review indicates that geologic hydrogen has vast resource potential and can leverage existing subsurface technologies and geophysical exploration methods. However, major challenges persist, including uncertain hydrogen generation rates, limited understanding and control of serpentinization processes, costly transportation infrastructure, the lack of validated techno-economic analysis, and potential social and environmental issues. As the field is still in its early stages, progress will require interdisciplinary collaboration spanning geoscience, engineering, economics, environmental science, and policy and regulation.

42 ENGINEERING↗
DOE OSTI2021

Computational design of thermoelectric alloys through optimization of transport and dopability

Alloying is a common technique to optimize the functional properties of materials for thermoelectrics, photovoltaics, energy storage etc. Designing thermoelectric (TE) alloys is especially challenging because it is a multi-property optimization problem, where the properties that contribute to high TE performance are interdependent. In this work, we develop a computational framework that combines first-principles calculations with alloy and point defect modeling to identify alloy compositions that optimize the electronic, thermal, and defect properties. We apply this framework to design n-type Ba 2(1–x) Sr 2x CdP 2 Zintl thermoelectric alloys. Our predictions of the crystallographic properties such as lattice parameters and site disorder are validated with experiments. To optimize the conduction band electronic structure, we perform band unfolding to sketch the effective band structures of alloys and find a range of compositions that facilitate band convergence and minimize alloy scattering of electrons. Here, we assess the n-type dopability of the alloys by extending the standard approach for computing point defect energetics in ordered structures. Through the application of this framework, we identify an optimal alloy composition range with the desired electronic and thermal transport properties, and n-type dopability. Such a computational framework can also be used to design alloys for other functional applications beyond TE.

36 MATERIALS SCIENCE↗