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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Evaluation of a doubly-swept blade tip for rotorcraft noise reduction

A computational study was performed for a doubly-swept rotor blade tip to determine its benefit for high-speed impulsive (HSI) and blade-vortex interaction (BVI) noise. This design consists of aft and forward sweep. For the HSI-noise computations, unsteady Euler calculations were performed for several variations to a rotor blade geometry. A doubly-swept planform was predicted to increase the delocalizing Mach number to 0.94 (representative of a 200+ kt helicopter). For the BVI-noise problem, it had been hypothesized that the doubly-swept blade tip, by producing a leading-edge vortex, would reduce the tip-vortex effect on BVI noise. A procedure was used in which the tip vortex velocity profile computed by a Navier-Stokes solver was used to compute the inflow associated with BVI. This inflow was used by a Euler solver to compute the unsteady pressures for an acoustic analysis. The results of this study were inconclusive due to the difficulty in accurately predicting the viscous tip vortex downstream of the blade. Also, for the condition studied, no leading-edge vortex formed at the tip.

Wake, Brian E.↗
NASA NTRS1990

Graphical interfaces for cooperative planning systems

Based on a cognitive task analysis of 5 airline flight crews in a simulator study, researchers have designed a testbed for studying computer aids for en route flight path planning. This testbed runs on a Mac II controlling three color monitors, and is being used to study the design of aids for both dispatchers and flight crews. Specifically, the research focuses on design concepts for developing cooperative problem-solving systems. We use en route flight planning (selecting alternate routes or destinations due to unanticipated weather, traffic, malfunctions, etc.) as the context for studying the design of such systems. Researchers are currently exploring three questions in this test environment: (1) When interacting with a flight planning aid, how does the role of the pilot influence overall system performance; (2) Can the architecture for a cooperative planning system be built around Sacerdoti's (1983) concept of an abstraction hierarchy, where the pilot can interact with the system at many different levels of detail (but where the computer aid by default handles lower level details that the pilot has chosen not to deat with); and (3) Can graphical displays and direct manipulation of these displays provide perceptual enhancements (Larkin and Simon, 1987) of the pilot's problem-solving activities. Information is given in viewgraph form.

Smith, Philip J.↗
DOE OSTI2024

Stable Pentagonal Layered Palladium Diselenide Enables Rapid Electrosynthesis of Hydrogen Peroxide

Electrosynthesis of hydrogen peroxide (H 2 O 2 ) via the two-electron oxygen reduction reaction (2e – ORR) is promising for various practical applications, such as wastewater treatment. However, few electrocatalysts are active and selective for 2e – ORR yet are also resistant to catalyst leaching under realistic operating conditions. Here, a joint experimental and computational study reveals active and stable 2e – ORR catalysis in neutral media over layered PdSe 2 with a unique pentagonal puckered ring structure type. Computations predict active and selective 2e – ORR on the basal plane and edge of PdSe 2 , but with distinct kinetic behaviors. Further, electrochemical measurements of hydrothermally synthesized PdSe 2 nanoplates show a higher 2e – ORR activity than other Pd–Se compounds (Pd 4 Se and Pd 17 Se 15 ). PdSe 2 on a gas diffusion electrode can rapidly accumulate H 2 O 2 in buffered neutral solution under a high current density. The electrochemical stability of PdSe 2 is further confirmed by long device operational stability, elemental analysis of the catalyst and electrolyte, and synchrotron X-ray absorption spectroscopy. This work establishes a new efficient and stable 2e – ORR catalyst at practical current densities and opens catalyst designs utilizing the unique layered pentagonal structure motif.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Numerical Simulation Of Flow Through An Artificial Heart

Research in both artificial hearts and fluid dynamics benefits from computational studies. Algorithm that implements Navier-Stokes equations of flow extended to simulate flow of viscous, incompressible blood through articifial heart. Ability to compute details of such flow important for two reasons: internal flows with moving boundaries of academic interest in their own right, and many of deficiencies of artificial hearts attributable to dynamics of flow.

Rogers, Stuart↗
DOE OSTI2025

Effect of Ni deposition on CrI 3 monolayer: First-principles study

In our recent experimental work, we demonstrated that Ni thin film deposition can be used to tune the surface magnetic states in bulk CrI 3 . Here, we present the results of a computational study of Ni deposition on a CrI 3 monolayer. In particular, we compare structural, electronic, and magnetic properties of three different systems: a pristine CrI 3 monolayer, a CrI 3 monolayer with partial Ni coverage, and a CrI 3 monolayer with full Ni coverage. The corresponding cells used in our calculations are Cr 2 I 6 , Cr 2 I 6 Ni 1 , and Cr 2 I 6 Ni 3 . In Cr 2 I 6 Ni 1 , the Ni atom is positioned over the hollow site, which corresponds to the lowest energy configuration. In Cr 2 I 6 Ni 3 , the three Ni atoms are positioned over the single hollow site, and over the two Cr sites. Our calculations indicate that the partial coverage of CrI 3 monolayer with Ni retains the semiconducting nature of the parent compound, but results in a strong reduction of the energy band gap. At the same time, the full coverage of CrI 3 monolayer with Ni results in a metallic transition, with a highly spin-polarized (possibly half-metallic) electronic structure. The magnetic alignment of the CrI 3 monolayer with the deposited Ni is ferrimagnetic, due to the anti-aligned magnetic moments of Cr and Ni atoms. While the partial coverage of the CrI 3 monolayer with Ni has a moderate impact on the lattice parameter of the parent compound, full coverage by Ni results in a significant increase of the lattice constant. For both partial and full coverages, the lowest energy configuration corresponds to the Ni atoms being approximately aligned with the out-of-plane coordinate of the surface iodine layer. In addition, in the full coverage mode, the Cr layer exhibits a significant shift away from the Ni atoms, effectively “detaching” the Ni / I atomic layer from the rest of the cell.

2D magnetism↗
NASA NTRS2009

Initial Aerodynamic and Acoustic Study of an Active Twist Rotor Using a Loosely Coupled CFD/CSD Method

Preliminary aerodynamic and performance predictions for an active twist rotor for a HART-II type of configuration are performed using a computational fluid dynamics (CFD) code, OVERFLOW2, and a computational structural dynamics (CSD) code, CAMRAD -II. These codes are loosely coupled to compute a consistent set of aerodynamics and elastic blade motions. Resultant aerodynamic and blade motion data are then used in the Ffowcs-Williams Hawkins solver, PSU-WOPWOP, to compute noise on an observer plane under the rotor. Active twist of the rotor blade is achieved in CAMRAD-II by application of a periodic torsional moment couple (of equal and opposite sign) at the blade root and tip at a specified frequency and amplitude. To provide confidence in these particular active twist predictions for which no measured data is available, the rotor system geometry and computational set up examined here are identical to that used in a previous successful Higher Harmonic Control (HHC) computational study. For a single frequency equal to three times the blade passage frequency (3P), active twist is applied across a range of control phase angles at two different amplitudes. Predicted results indicate that there are control phase angles where the maximum mid-frequency noise level and the 4P non -rotating hub vibrations can be reduced, potentially, both at the same time. However, these calculated reductions are predicted to come with a performance penalty in the form of a reduction in rotor lift-to-drag ratio due to an increase in rotor profile power.

Boyd, David D. Jr.↗
NASA NTRS1984

Mathematical modeling of fluid-electrolyte alterations during weightlessness

Fluid electrolyte metabolism and renal endocrine control as it pertains to adaptation to weightlessness were studied. The mathematical models that have been particularly useful are discussed. However, the focus of the report is on the physiological meaning of the computer studies. A discussion of the major ground based analogs of weightlessness are included; for example, head down tilt, water immersion, and bed rest, and a comparison of findings. Several important zero g phenomena are described, including acute fluid volume regulation, blood volume regulation, circulatory changes, longer term fluid electrolyte adaptations, hormonal regulation, and body composition changes. Hypotheses are offered to explain the major findings in each area and these are integrated into a larger hypothesis of space flight adaptation. A conceptual foundation for fluid electrolyte metabolism, blood volume regulation, and cardiovascular regulation is reported.

Leonard, J. I.↗
NASA NTRS1991

The effects of winglets on low aspect ratio wings at supersonic Mach numbers

A computational study was conducted on two wings, of aspect ratios 1.244 and 1.865, each having 65 degree leading edge sweep angles, to determine the effects of nonplanar winglets at supersonic Mach numbers. A Mach number of 1.62 was selected as the design value. The winglets studied were parametrically varied in alignment, length, sweep, camber, thickness, and dihedral angle to determine which geometry had the best predicted performance. For the computational analysis, an available Euler marching technique was used. The results indicated that the possibility existed for wing-winglet geometries to equal the performance of wing-alone bodies in supersonic flows with both bodies having the same semispan. The first wing with winglet used NACA 1402 airfoils for the base wing and was shown to have lift-to-pressure drag ratios within 0.136 percent to 0.360 percent of the NACA 1402 wing-alone. The other base wing was a natural flow wing which was previously designed specifically for a Mach number of 1.62. The results obtained showed that the natural wing-alone had a slightly higher lift-to-pressure drag than the natural wing with winglets.

Keenan, James A.↗
NASA NTRS2001

Inviscid Flow Computations of Several Aeroshell Configurations for a '07 Mars Lander

This report documents the results of an inviscid computational study conducted on several candidate aeroshell configurations for a proposed '07 Mars lander. Eleven different configurations were considered, and the aerodynamic characteristics of each of these were computed for a Mach number of 23.7 at 10, 15, and 20 degree angles of attack. The unstructured grid software FELISA with the equilibrium Mars gas option was used for these computations. The pitching moment characteristics and the lift-to-drag ratios at trim angle of attack of each of these configurations were examined to make a selection. The criterion for selection was that the configuration should be longitudinally stable, and should trim at an angle of attack where the L/D is -0.25. Based on the present study, two configurations were selected for further study

Prabhu, Ramadas K.↗
DOE OSTI2022

Predictive coarse-grained (CG) modeling of morphologies in polymer nanocomposites with specific and directional intermolecular interactions (Final Report)

The overarching goal of the proposed work was to develop predictive models for investigating structure and dynamics in soft materials with chemistries that have specific and directional molecular interactions. The motivation behind studying materials with specific and directional interactions lies in the many desirable features these interactions provide when designing novel soft materials. Soft materials with specific and direction interactions (such as hydrogen bonds or H-bonds) can have a) thermally reversible phase behavior with different functions with varying temperature, b) precisely tuned nanostructure with desirable geometries that afford unique physical properties (e.g., color response, mechanical properties) and c) well-mixed/blended morphologies that are useful for variety of applications in energy field (e.g., materials for batteries require use of blended polymers where one domain gives superior mechanical properties and one domain promotes electrical conduction). Notably, biology makes extensive use of specific and directional interactions, in many cases based on H-bonds, to construct materials with precisely defined architectures and properties. Engineered soft materials with precisely tuned nanostructures and improved processiblity through thermoresponsive phase behavior are useful in numerous applications that are relevant to the Department of Energy (DOE) including high efficiency electronic devices, light-weight high-strength composite materials for batteries and fuel cells, and polymer membranes for separations, etc. While past computational studies have been tremendously useful in understanding molecular phenomena and guiding synthesis of new macromolecular soft materials for a wide variety of applications, the inability to capture small scale specific and directional interactions alongside macromolecular length and time scales represented a key limitation of most studies to date. Our work in this project addressed this grand challenge in computational materials chemistry, i.e., ability to model the anisotropic, directional, and specific interactions that govern the behavior of many macromolecular soft matter systems of interest, thus, has greatly expanded the predictive potential of simulations. Specifically the key outcomes were: successful development of new coarse-grained (CG) polymer models to study generic and specific polymer chemistries in which hydrogen-bonding interactions are dominant. These CG models were then used in molecular simulations to study structure and thermodynamics in polymer nanocomposites and blends; some studies were conducted in collaboration with experimentalists. We also published a perspective and a viewpoint which included some of the work we completed in this DOE project; we believe these perspective and viewpoint articles guide other researchers in the soft materials community on how to extend the computational approaches and models we have developed for the purposes of their studies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetization dynamics fingerprints of an excitonic condensate t 2 g 4 magnet

The competition between spin-orbit coupling (SOC) λ and electron-electron interaction U leads to a plethora of novel states of matter, extensively studied in the context of t 2 g 4 and t 2 g 5 materials, such as ruthenates and iridates. Excitonic magnets—the antiferromagnetic state of bounded electron-hole pairs-are prominent examples of phenomena driven by those competing energy scales. Interestingly, recent theoretical studies predicted that excitonic magnets can be found in the ground state of SOC t 2 g 4 Hubbard models. Here we present a detailed computational study of the magnetic excitations in that excitonic magnet, employing one-dimensional chains (via density matrix renormalization group) and small two-dimensional clusters (via Lanczos). Specifically, first we show that the low-energy spectrum is dominated by a dispersive (acoustic) magnonic mode, with extra features arising from the λ = 0 state in the phase diagram. Second, and more importantly, we found a novel magnetic excitation forming a high-energy optical mode with the highest intensity at wave-vector q → 0 . In the excitonic condensation regime at large U , we also have found a novel high-energy π mode composed solely of orbital excitations. Overall, these features do not appear all together in any of the neighboring states in the phase diagram and thus constitute unique fingerprints of the t 2 g 4 excitonic magnet, of importance in the analysis of neutron and resonant inelastic x-ray scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

Predictions Of Accretion Of Ice On A Commercial Airplane

Report presents computational study of accretion of ice on wings and on horizontal tail surfaces of simplified version of Boeing 737 airplane. Calculations performed by use of LEWICE3D computer code, which incorporates panel-method mathematical model of three-dimensional potential flow and mathematical models of trajectories of drops of water entrained in flow, impingement of drops on surfaces, and transfer of heat.

Bidwell, C. S.↗
NASA NTRS2012

Magnetic Field Effects on Plasma Plumes

Here, we will discuss our numerical studies of plasma jets and loops, of basic interest for plasma propulsion and plasma astrophysics. Space plasma propulsion systems require strong guiding magnetic fields known as magnetic nozzles to control plasma flow and produce thrust. Propulsion methods currently being developed that require magnetic nozzles include the VAriable Specific Impulse Magnetoplasma Rocket (VASIMR) [1] and magnetoplasmadynamic thrusters. Magnetic nozzles are functionally similar to de Laval nozzles, but are inherently more complex due to electromagnetic field interactions. The two crucial physical phenomenon are thrust production and plasma detachment. Thrust production encompasses the energy conversion within the nozzle and momentum transfer to a spacecraft. Plasma detachment through magnetic reconnection addresses the problem of the fluid separating efficiently from the magnetic field lines to produce maximum thrust. Plasma jets similar to those of VASIMR will be studied with particular interest in dual jet configurations, which begin as a plasma loops between two nozzles. This research strives to fulfill a need for computational study of these systems and should culminate with a greater understanding of the crucial physics of magnetic nozzles with dual jet plasma thrusters, as well as astrophysics problems such as magnetic reconnection and dynamics of coronal loops.[2] To study this problem a novel, hybrid kinetic theory and single fluid magnetohydrodynamic (MHD) solver known as the Magneto-Gas Kinetic Method is used.[3] The solver is comprised of a "hydrodynamic" portion based on the Gas Kinetic Method and a "magnetic" portion that accounts for the electromagnetic behaviour of the fluid through source terms based on the resistive MHD equations. This method is being further developed to include additional physics such as the Hall effect. Here, we will discuss the current level of code development, as well as numerical simulation results

Ebersohn, F.↗
NASA NTRS1961

Study of an Active Control System for a Spinning Body

The mission requirements for some satellites require that they spin continuously and at the same time maintain a precise direction of the spin axis. An analog-computer study has been made of an attitude control system which is suitable for such a satellite. The control system provides the necessary attitude control through the use of a spinning wheel, which will provide precession torques, commanded by an automatic closed-loop servomechanism system. The sensors used in the control loop are rate gyroscopes for damping of any wobble motion and a sun seeker for attitude control. The results of the study show that the controller can eliminate the wobble motion of the satellite resulting from a rectangular pulse moment disturbance and then return the spin axis to the reference space axis. The motion is damped to half amplitude in less than one cycle of the wobble motion. The controller can also reduce the motion resulting from a step change in product of inertia both by causing the new principal axis to be steadily alined with the spin vector and by reducing the cone angle generated by the reference body axis. These methods will reduce the motion whether the satellite is a disk, sphere, or rod configuration.

Adams, J. J.↗
NASA NTRS2016

CFD Predictions for Transonic Performance of the ERA Hybrid Wing-Body Configuration

A computational study was performed for a Hybrid Wing Body configuration that was focused at transonic cruise performance conditions. In the absence of experimental data, two fully independent computational fluid dynamics analyses were conducted to add confidence to the estimated transonic performance predictions. The primary analysis was performed by Boeing with the structured overset-mesh code OVERFLOW. The secondary analysis was performed by NASA Langley Research Center with the unstructured-mesh code USM3D. Both analyses were performed at full-scale flight conditions and included three configurations customary to drag buildup and interference analysis: a powered complete configuration, the configuration with the nacelle/pylon removed, and the powered nacelle in isolation. The results in this paper are focused primarily on transonic performance up to cruise and through drag rise. Comparisons between the CFD results were very good despite some minor geometric differences in the two analyses.

Deere, Karen A.↗
NASA NTRS1989

Finite element computations and experimental studies of flow past an array of plates

Finite element computations and laboratory experiments were carried out to study the mutual wake interaction behind two plates placed side by side. The computations are based on the vorticity-stream function formation of the two-dimensional incompressible Navier-Stokes equations. The flow visualization studies indicate independent vortex sheddings at large gap sizes and metastable biased flow at smaller gap sizes. The computational results exhibit a similar behavior.

Higuchi, H.↗
NASA NTRS2013

Characterization of Swirl-Venturi Lean Direct Injection Designs for Aviation Gas-Turbine Combustion

Injector geometry, physical mixing, chemical processes, and engine cycle conditions together govern performance, operability and emission characteristics of aviation gas-turbine combustion systems. The present investigation explores swirl-venturi lean direct injection combustor fundamentals, characterizing the influence of key geometric injector parameters on reacting flow physics and emission production trends. In this computational study, a design space exploration was performed using a parameterized swirl-venturi lean direct injector model. From the parametric geometry, 20 three-element lean direct injection combustor sectors were produced and simulated using steady-state, Reynolds-averaged Navier-Stokes reacting computations. Species concentrations were solved directly using a reduced 18-step reaction mechanism for Jet-A. Turbulence closure was obtained using a nonlinear κ-ε model. Results demonstrate sensitivities of the geometric perturbations on axially averaged flow field responses. Output variables include axial velocity, turbulent kinetic energy, static temperature, fuel patternation and minor species mass fractions. Significant trends have been reduced to surrogate model approximations, intended to guide future injector design trade studies and advance aviation gas-turbine combustion research.

Combustion Chamber↗
DOE OSTI2025

Scaling Field-Theoretic Simulation for Multicomponent Mixtures with Neural Operators

Multicomponent polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxation times and slow equilibration within dense mixtures, molecular dynamics simulations are typically infeasible at the spatial scales required to study the stability of mesophase structure. Polymer field theories offer an attractive alternative, but analytical calculations are only tractable for mean-field theories and nearby perturbations, constraints that become especially problematic for fluctuation-induced effects such as coacervation. Here, we show that a recently developed technique for obtaining numerical solutions to partial differential equations based on operator learning, neural operators, lends itself to a highly scalable training strategy by parallelizing per-species operator maps. We illustrate the efficacy of our approach on six-component mixtures with randomly selected compositions and that it significantly outperforms the state-of-the-art pseudospectral integrators for field-theoretic simulations, especially as polymer lengths become long.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗