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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 OSTI2021

Computational design of microarchitected porous electrodes for redox flow batteries

Porous electrodes are used as the core reactive component across electrochemical technologies. In flowing systems, controlling the fluid distribution, species transport, and reactive environment is critical to attaining high performance. However, conventional electrode materials like felts and papers provide few opportunities for precise engineering of the electrode and its microstructure. To address these limitations, architected electrodes composed of unit cells with spatially varying geometry determined via computational optimization are proposed. Resolved simulation is employed to develop a homogenized description of the constituent unit cells. These effective properties serve as inputs to a continuum model for the electrode when used in the negative half-cell of a vanadium redox flow battery. Porosity distributions minimizing power loss are then determined via computational design optimization to generate architected porosity electrodes. The architected electrodes are compared to bulk, uniform porosity electrodes and found to lead to increased power efficiency across operating flow rates and currents. The design methodology is further used to generate a scaled-up electrode with comparable power efficiency to the bench-scale systems. Finally, the variable porosity architecture and computational design methodology presented here thus offers a novel pathway for automatically generating spatially engineered electrode structures with improved power performance.

25 ENERGY STORAGE↗
DOE OSTI2024

A structural underpinning of the lower critical solution temperature (LCST) behavior behind temperature-switchable liquids

In this work, we use state-of-the-art X-ray scattering and molecular dynamics to analyze amine-water mixtures that show the unusual lower critical solution temperature (LCST) behavior. The goal is to provide direct experimental evidence for the entropy-lowering molecular cluster formation hypothesized as necessary for LCST behavior. Differential wide-angle X-ray scattering and pair distribution analysis and small-angle X-ray scattering measurements were combined with molecular modeling and liquid-liquid equilibrium measurements, revealing direct experimental evidence for the hypothesis. However, the response of the amine phase to accommodating water is even more subtle than the simple hypothesis suggests, with the formation of robust nanoscale reverse micelles. The techniques developed in this paper can be expected to yield insights in the use of temperature-switchable liquids in solvent extraction and other separations, and the stabilization of organelles in living cells that do not have physical membranes but do require compositional gradients to operate.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches

Accurate prediction of water adsorption in micro- and mesoporous materials with hydrophobic pores is essential for the design and characterization of advanced adsorbent materials for separation and energy applications. Here, we assess the reproducibility and consistency of water adsorption isotherms in two microporous all-silica MFI zeolite structures (MFI-K and MFI-O) using two different zeolite force fields and three simulation approaches: grand canonical Monte Carlo (GCMC), Gibbs ensemble Monte Carlo (GEMC), and transition matrix Monte Carlo (TMMC). We demonstrate that consistent treatment of the bulk fluid phase in GCMC and TMMC simulations is critical for reconciling isotherms across methods, and we construct simulation-based equations of state for the TIP4P water model to enable rigorous fugacity-to-pressure conversions. Large shifts in the isotherms are observed for two zeolite force fields developed using different parametrization strategies, with the GCS force field representing implicitly a defect-containing all-silica zeolite, whereas the TraPPE-zeo force field accurately represents an essentially defect-free all-silica zeolite. While water in the van Koningsveld structure of MFI exhibits a first-order phase transition and condensation-like step for adsorption near room temperature, water in the Olson structure of MFI displays continuous adsorption, attributed to differences in the adsorption free energy landscapes. Structural analysis reveals that small geometric variations, particularly Si–O–Si bond angles near the strongest adsorption sites, lead to these substantial differences in adsorption behavior. Furthermore, our results highlight the sensitivity of simulated water adsorption isotherms in hydrophobic frameworks to seemingly small differences in the framework structures, force field parametrization, and simulation approaches.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Control of core–shell nanoparticles properties through plasma synthesis: a computational study

The improved properties of core–shell nanoparticles (CSNPs) over homogeneous nanoparticles (NPs) have expanded and diversified the applications of these nanomaterials. However, controlling the properties of CSNPs can be a challenging task. Low temperature plasmas have proven to be an effective method of producing NPs with uniform size and morphology, and high yield. That said, NP transport and growth dynamics are sensitive to LTP properties. We report on a computational investigation of the evolution of Ge–Si CSNP properties as a function of operating conditions through the modeling of a flowing, two-zone inductively coupled plasma (ICP) reactor. Ar/GeH 4 and Ar/SiH 4 gas mixtures were supplied to separate plasma zones at a pressure of 1 Torr to promote growth of Ge cores and Si shells. The negatively charged CSNPs are trapped electrostatically in the vicinity of the antennas where the plasma is generated and where the majority of particle growth occurs. Particles that grow to a critical size are then de-trapped by fluid drag due to neutral gas flow. A two-dimensional hybrid plasma model coupled with a three-dimensional kinetic NP transport model were utilized to resolve plasma chemistry and NP growth processes that take place on distinct timescales. The trends in CSNP properties and trapping mechanisms associated with flow rate, applied ICP power and inlet precursor fraction are discussed. While the spatial distribution of plasma produced radical species can have significant impact on the NP growth process, the NP transport dynamics are what ultimately dictates the growth environment that is unique to each particle and so determines their final dimension and composition. The key to optimizing reactor conditions involves controlling the spatial density of growth species and plasma profile as a means to tailor particle trapping dynamics suitable to produce CSNPs for a specific application.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low-pressure inductively coupled plasmas in hydrogen: impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states

Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10–20 Pa or 0.075–0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Integral equation theory of thermodynamics, pair structure, and growing static length scale in metastable hard sphere and Weeks-Chandler-Andersen fluids

Here, we employ the Ornstein-Zernike integral equation theory with the Percus-Yevick (PY) and modified-Verlet (MV) closures to study the equilibrium structural and thermodynamic properties of metastable monodisperse hard sphere and continuous repulsion Weeks-Chandler-Andersen (WCA) fluids under density and temperature conditions where the system is strongly overcompressed or supercooled, respectively. The theoretical results are compared to crystal-avoiding simulations of these dense monodisperse model one-component fluids. The equation of state (EOS) and dimensionless compressibility are computed using both the virial and compressibility routes. For hard spheres, the MV-based virial route EOS and dimensionless compressibility are in very good agreement with simulation for all packing fractions, much better than the PY analogs. The corresponding MV-based predictions for the static structure factor are also very good. The amplitude of density fluctuations on the local cage scale and in the long wavelength limit, and three technically different measures of the density correlation length, are studied with both closures. All five properties grow in a roughly exponential manner with density in the metastable regime up to packing fractions of 58% with no sign of saturation. The MV-based results are in good agreement with our crystal-avoiding simulations. Interestingly, the density dependences of long and short wavelength quantities are closely related. The MV-based theory is also quite accurate for the thermodynamics and structure of supercooled monodisperse WCA fluids. Overall our findings are also relevant as critical input to microscopic theories that relate the equilibrium pair correlation function or static structure factor to dynamical constraints, barriers, and activated relaxation in glass-forming liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enabling Robust Compressor Operation Under Various sCO 2 Conditions at Compressor Inlet

The supercritical carbon dioxide (sCO 2 ) power cycle is one of the most investigated power conversion systems in last decade. The reason for this is its wide range of potential applications from fossil fuels (Natural gas), nuclear (Fusion, Fission), through concentrated solar power, energy storage system and waste heat recovery systems to power-to-x systems. The main advantage of the sCO 2 power cycle is very similar operation conditions, especially for the compressor, for all potential applications. Because of this the potential cost of the system can be reduced. However, the sCO 2 power cycle has still several issue that needs to address before commercial application. The current key issue is design of the primary compressor. The primary compressor is one of the key components in the sCO 2 power cycle; it operates with inlet conditions just above the critical point of CO 2 to maintain high fluid density and reduce power requirements.

14 SOLAR ENERGY↗
NASA NTRS1991

Tidal disruption of inviscid protoplanets

Roche showed that equilibrium is impossible for a small fluid body synchronously orbiting a primary within a critical radius now termed the Roche limit. Tidal disruption of orbitally unbound bodies is a potentially important process for planetary formation through collisional accumulation, because the area of the Roche limit is considerably larger then the physical cross section of a protoplanet. Several previous studies were made of dynamical tidal disruption and different models of disruption were proposed. Because of the limitation of these analytical models, we have used a smoothed particle hydrodynamics (SPH) code to model the tidal disruption process. The code is basically the same as the one used to model giant impacts; we simply choose impact parameters large enough to avoid collisions. The primary and secondary both have iron cores and silicate mantles, and are initially isothermal at a molten temperature. The conclusions based on the analytical and numerical models are summarized.

Boss, Alan P.↗
NASA NTRS1991

Turbulization of shear flows in astrophysics

The problem of instability in shear flows is treated in a number of works which present a global analysis of irrotational (potential) modes in a 2-D compressible shear flow, implying that, in the presence of reflecting boundaries, those modes can increase and that the characteristic time of the increase is several orders as high as the dynamic time in the medium. Due to the slowness of the increase of irrotational modes and to the problematic character of the theory's applicability for thin accretion disks, an attempt was made to develop an alternative theory of turbulization shear flows. It is quite contrary to the above theory. Instead of the global analysis, a local one is made far from the flow boundaries. Instead of irrotational perturbations, vortical ones are examined. Lastly, the medium is considered to be incompressible. The flow in the accretion disk can be modeled by a plane Couette flow, without regard for boundary conditions: it can be modeled by a plane shear flow in infinite incompressible fluid. According to this scenario, there is a critical perturbation level in the free shear flow. If the level of initial perturbations exceeds the critical one, the flow is turbulized.

Chagelishvili, G. D.↗
NASA NTRS1990

NASA Aeronautics: Research and Technology Program Highlights

This report contains numerous color illustrations to describe the NASA programs in aeronautics. The basic ideas involved are explained in brief paragraphs. The seven chapters deal with Subsonic aircraft, High-speed transport, High-performance military aircraft, Hypersonic/Transatmospheric vehicles, Critical disciplines, National facilities and Organizations & installations. Some individual aircraft discussed are : the SR-71 aircraft, aerospace planes, the high-speed civil transport (HSCT), the X-29 forward-swept wing research aircraft, and the X-31 aircraft. Critical disciplines discussed are numerical aerodynamic simulation, computational fluid dynamics, computational structural dynamics and new experimental testing techniques.

Source record↗
NASA NTRS1994

NASA-UVA light aerospace alloy and structures technology program (LA2ST)

The NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program was initiated in 1986, and continues a high level of activity, with projects being conducted by graduate students and faculty advisors in the Departments of Materials Science and Engineering, and Mechanical and Aerospace Engineering at the University of Virginia. This work is funded by the NASA-Langley Research Center under Grant NAG-1-745. Here, we report on progress achieved between July 1 and December 31, 1993. The 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 in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. We generally aim to produce relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and critically, a pool of educated graduate students for aerospace technologies.

Gangloff, Richard P.↗
NASA NTRS2005

Capillary Flow Experiments Began on the International Space Station

The Capillary Flow Experiments (CFEs) are a suite of fluid physics flight experiments designed to investigate capillary flows and phenomena in low gravity. Data obtained from the CFEs will be crucial to NASA s Space Exploration Initiative, particularly pertaining to fluids management systems such as fuels and cryogen storage systems, thermal control systems (e.g., water recycling), and materials processing in the liquid state. NASA s current plans for exploration missions assume the use of larger liquid propellant masses than have ever flown on interplanetary missions. Under low-gravity conditions, capillary forces can be exploited to control fluid orientation so that such large mission-critical systems perform predictably. The first of the CFE experiments has been conducted on the International Space Station, and the data are being analyzed. The experiment suite is described briefly.

J. Mark Hickman↗
NASA NTRS2009

Results From the John Glenn Biomedical Engineering Consortium. A Success Story for NASA and Northeast Ohio

The John Glenn Biomedical Engineering Consortium was established by NASA in 2002 to formulate and implement an integrated, interdisciplinary research program to address risks faced by astronauts during long-duration space missions. The consortium is comprised of a preeminent team of Northeast Ohio institutions that include Case Western Reserve University, the Cleveland Clinic, University Hospitals Case Medical Center, The National Center for Space Exploration Research, and the NASA Glenn Research Center. The John Glenn Biomedical Engineering Consortium research is focused on fluid physics and sensor technology that addresses the critical risks to crew health, safety, and performance. Effectively utilizing the unique skills, capabilities and facilities of the consortium members is also of prime importance. Research efforts were initiated with a general call for proposals to the consortium members. The top proposals were selected for funding through a rigorous, peer review process. The review included participation from NASA's Johnson Space Center, which has programmatic responsibility for NASA's Human Research Program. The projects range in scope from delivery of prototype hardware to applied research that enables future development of advanced technology devices. All of the projects selected for funding have been completed and the results are summarized. Because of the success of the consortium, the member institutions have extended the original agreement to continue this highly effective research collaboration through 2011.

Nall, Marsha M.↗
NASA NTRS2010

A Heat Transfer Investigation of Liquid and Two-Phase Methane

A heat transfer investigation was conducted for liquid and two-phase methane. The tests were conducted at the NASA Glenn Research Center Heated Tube Facility (HTF) using resistively heated tube sections to simulate conditions encountered in regeneratively cooled rocket engines. This testing is part of NASA s Propulsion and Cryogenics Advanced Development (PCAD) project. Nontoxic propellants, such as liquid oxygen/liquid methane (LO2/LCH4), offer potential benefits in both performance and safety over equivalently sized hypergolic propulsion systems in spacecraft applications. Regeneratively cooled thrust chambers are one solution for high performance, robust LO2/LCH4 engines, but cooling data on methane is limited. Several test runs were conducted using three different diameter Inconel 600 tubes, with nominal inner diameters of 0.0225-, 0.054-, and 0.075-in. The mass flow rate was varied from 0.005 to 0.07 lbm/sec. As the current focus of the PCAD project is on pressure fed engines for LO2/LCH4, the average test section outlet pressures were targeted to be 200 psia or 500 psia. The heat flux was incrementally increased for each test condition while the test section wall temperatures were monitored. A maximum average heat flux of 6.2 Btu/in.2 sec was achieved and, at times, the temperatures of the test sections reached in excess of 1800 R. The primary objective of the tests was to produce heat transfer correlations for methane in the liquid and two-phase regime. For two-phase flow testing, the critical heat flux values were determined where the fluid transitions from nucleate boiling to film boiling. A secondary goal of the testing was to measure system pressure drops in the two-phase regime.

VanNoord, Jonathan↗
NASA NTRS2012

SOFIA: Flying the Telescope

The primary focus of this paper is how the flight test team for the Stratospheric Observatory For Infrared Astronomy (SOFIA) re-cast an extensive developmental test program to meet key milestones while simultaneously ensuring safe certification of the airframe and delivery of an operationally relevant platform, ultimately saving the overall program from financial demise. Following a brief introduction to the observatory and what it is designed to do, SOFIAs planned developmental test program is summarized, including analysis and design philosophy, envelope expansion, model validation and airframe certification. How NASA used lessons learned from other aircraft that employed open cavities in flight is explained as well as how and why the chosen design was selected. The approach to aerodynamic analysis, including bare airframe testing, wind tunnel testing, computational fluid dynamics and finite element modeling proved absolutely critical. Despite a solid analytical foundation, many unknowns remained. History provides several examples of disastrous effects on both systems and flight safety if cavity design is not approached properly. For these reasons, an extensive test plan was developed to ensure a safe and thorough build-up for envelope expansion, airframe certification and early science missions. Unfortunately, as is often the case, because of chronic delays in overall program execution, severe schedule and funding pressures were present. If critical milestones were not met, domestic as well as international funding was in serious jeopardy, and the demise of the entire program loomed large. Concentrating on rigorous model validation, the test team challenged certification requirements, increased test efficiency and streamlined engineering analysis. This resulted in the safe reduction of test point count by 72%, meeting all program milestones and a platform that soundly satisfied all operational science requirements. Results from early science missions are shown and a proof of concept mission for which SOFIA was opportunely positioned is showcased. Success on this time-critical mission to observe a rare astronomical event proved the usefulness of an airborne observatory and the value in waiting for the capability provided by SOFIA. Finally, lessons learned in the test program are presented with emphasis on how lessons from previous aircraft and successful test programs were applied to SOFIA. Effective application of these lessons was crucial to the success of the SOFIA flight test program. SOFIA is an international cooperative program between NASA and the German Space Agency, DLR. It is a 2.5 meter (100-inch) telescope mounted in a Boeing 747SP aircraft used for astronomical observations at altitudes above 35,000 feet. SOFIA will accommodate a host of scientific instruments from the international science community and has a planned operational lifespan of more than 20 years.

Asher, Troy A.↗
NASA NTRSDate not supplied

AM Powder Flowability Capabilities at NASA Marshall Space Flight Center (MSFC)

Additive Manufacturing (AM) powder flowability is critical to metal 3D printing, because the more fluid the powder is, the better powder spreads. The NASA MSFC’s Contamination Control Team (CCT) studies density, flow, particle size distribution, and morphology for programs such as Moon-to-Mars Planetary Autonomous Construction Technology (MMPACT), ASTM Proficiency Testing for AM and Powder Metallurgy, and MSFC’s AM team. Examining and measuring powder characteristics is essential for improving flowability of AM powder and ensuring lot-to-lot consistency, which will help to prevent defects in manufactured parts. The CCT uses several methods to characterize AM powder. Optical particle size distribution and morphology analyses determine particle parameters including size, circularity, convexity, and dimensions. The Carney and Hall Flowmeter Funnel measures time it takes powder to flow through a funnel to compare relative flowability (free-flowing and non-free-flowing). In addition to this, the device utilizes a density cup which determines apparent density. Lastly, the Revolution Powder Analyzer measures dynamic powder flowability and behavior over time via digital imaging. Using the CCT’s lab, the team has produced ASTM Powder Proficiency Testing results with flow rates, apparent density, particle size distribution, and tap density on titanium-based and nickel-based powder and compared data with other companies/labs. Morphology data was also collected for various regolith simulant powder for the MMPACT program. Lastly, the CCT used morphology data to examine the flowability of Inconel 718 powder for Selective Laser Melting (SLM) and Directed Energy Deposition (DED) printers at MSFC. The CCT’s essential work in studying and enabling AM powder characterization has helped and will continue to help study new and refined powders in the AM industry.

Additive Manufacturing↗