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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Large-Scale Simulations and Detailed Flow Field Measurements for Turbomachinery Aeroacoustics

The presentation is a review of recent work in highly loaded compressors, turbine aeroacoustics and cooling fan noise. The specific topics are: the importance of correct numerical modeling to capture blade row interactions in the Ultra Efficient Engine Technology Proof-of-Concept Compressor, the attenuation of a detonation pressure wave by an aircraft axial turbine stage, current work on noise sources and acoustic attenuation in turbines, and technology development work on cooling fans for spaceflight applications. The topic areas were related to each other by certain themes such as the advantage of an experimentalist s viewpoint when analyzing numerical simulations and the need to improve analysis methods for very large numerical datasets.

VanZante, Dale↗
NASA NTRS2003

Glenn-ht/bem Conjugate Heat Transfer Solver for Large-scale Turbomachinery Models

A coupled Boundary Element/Finite Volume Method temperature-forward/flux-hack algorithm is developed for conjugate heat transfer (CHT) applications. A loosely coupled strategy is adopted with each field solution providing boundary conditions for the other in an iteration seeking continuity of temperature and heat flux at the fluid-solid interface. The NASA Glenn Navier-Stokes code Glenn-HT is coupled to a 3-D BEM steady state heat conduction code developed at the University of Central Florida. Results from CHT simulation of a 3-D film-cooled blade section are presented and compared with those computed by a two-temperature approach. Also presented are current developments of an iterative domain decomposition strategy accommodating large numbers of unknowns in the BEM. The blade is artificially sub-sectioned in the span-wise direction, 3-D BEM solutions are obtained in the subdomains, and interface temperatures are averaged symmetrically when the flux is updated while the fluxes are averaged anti-symmetrically to maintain continuity of heat flux when the temperatures are updated. An initial guess for interface temperatures uses a physically-based 1-D conduction argument to provide an effective starting point and significantly reduce iteration. 2-D and 3-D results show the process converges efficiently and offers substantial computational and storage savings. Future developments include a parallel multi-grid implementation of the approach under MPI for computation on PC clusters.

Divo, E.↗
DOE OSTI2022

Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols

The accurate and reliable prediction of protein–ligand binding affinities can play a central role in the drug discovery process as well as in personalized medicine. Of considerable importance during lead optimization are the alchemical free energy methods that furnish an estimation of relative binding free energies (RBFE) of similar molecules. Recent advances in these methods have increased their speed, accuracy, and precision. This is evident from the increasing number of retrospective as well as prospective studies employing them. However, such methods still have limited applicability in real-world scenarios due to a number of important yet unresolved issues. Here, we report the findings from a large data set comprising over 500 ligand transformations spanning over 300 ligands binding to a diverse set of 14 different protein targets which furnish statistically robust results on the accuracy, precision, and reproducibility of RBFE calculations. We use ensemble-based methods which are the only way to provide reliable uncertainty quantification given that the underlying molecular dynamics is chaotic. These are implemented using TIES (Thermodynamic Integration with Enhanced Sampling). Results achieve chemical accuracy in all cases. Ensemble simulations also furnish information on the statistical distributions of the free energy calculations which exhibit non-normal behavior. We find that the “enhanced sampling” method known as replica exchange with solute tempering degrades RBFE predictions. We also report definitively on numerous associated alchemical factors including the choice of ligand charge method, flexibility in ligand structure, and the size of the alchemical region including the number of atoms involved in transforming one ligand into another. Our findings provide a key set of recommendations that should be adopted for the reliable application of RBFE methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Large-scale disruptions in a current-carrying magnetofluid

Internal disruptions in a strongly magnetized electrically conducting fluid contained within a rigid conducting cylinder of square cross section are investigated theoretically, both with and without an externally applied axial electric field, by means of computer simulations using the pseudospectral three-dimensional Strauss-equations code of Dahlburg et al. (1985). Results from undriven inviscid, driven inviscid, and driven viscid simulations are presented graphically, and the significant effects of low-order truncations on the modeling accuracy are considered. A helical current filament about the cylinder axis is observed. The ratio of turbulent kinetic energy to total poloidal magnetic energy is found to undergo cyclic bounces in the undriven inviscid case, to exhibit one large bounce followed by decay to a quasi-steady state with poloidal fluid velocity flow in the driven inviscid case, and to show one large bounce followed by further sawtoothlike bounces in the driven viscid case.

Dahlburg, J. P.↗
DOE OSTI2021

Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities

The execution and analysis of complex experiments are challenged by the vast dimensionality of the underlying parameter spaces. Although an increase in data-acquisition rates should allow broader querying of the parameter space, the complexity of experiments and the subtle dependence of the model function on input parameters remains daunting owing to the sheer number of variables. New strategies for autonomous data acquisition are being developed, with one promising direction being the use of Gaussian process regression (GPR). GPR is a quick, non-parametric and robust approximation and uncertainty quantification method that can be applied directly to autonomous data acquisition. We review GPR-driven autonomous experimentation and illustrate its functionality using real-world examples from large experimental facilities in the USA and France. We introduce the basics of a GPR-driven autonomous loop with a focus on Gaussian processes, and then shift the focus to the infrastructure that needs to be built around GPR to create a closed loop. Finally, the case studies we discuss show that Gaussian-process-based autonomous data acquisition is a widely applicable method that can facilitate the optimal use of instruments and facilities by enabling the efficient acquisition of high-value datasets.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Large-scale turbulence in the Jovian atmosphere

Voyager 1 and 2 image pairs taken one rotation period (10 hr) apart are analyzed in order to compute average cloud velocities in the Jovian atmosphere, as well as to study the global energetics of the processes, in particular the sign and the magnitude of the energy transfer from the fluctuating to the mean flow. Particular attention is paid to the Great Red Spot phenomenon; it is suggested to have originated as a small vortex extracting energy from the surrounding flow. Since the eddy, presently in its near-equilibrium state, has reached a considerable size, while the mean shear lies close to that of a neutrally stable profile, it can be concluded that the presence of one large eddy precludes the growth of any others in the depleted mean shear.

Mitchell, J. L.↗
NASA NTRS1992

The coherence length of the peculiar velocity field in the universe and the large-scale galaxy correlation data

This study presents a method for obtaining the true rms peculiar flow in the universe on scales up to 100-120/h Mpc using APM data as an input assuming only that peculiar motions are caused by peculiar gravity. The comparison to the local (Great Attractor) flow is expected to give clear information on the density parameter, Omega, and the local bias parameter, b. The observed peculiar flows in the Great Attractor region are found to be in better agreement with the open (Omega = 0.1) universe in which light traces mass (b = 1) than with a flat (Omega = 1) universe unless the bias parameter is unrealistically large (b is not less than 4). Constraints on Omega from a comparison of the APM and PV samples are discussed.

Kashlinsky, A.↗
DOE OSTI2024

Single-photon detection using large-scale high-temperature MgB2 sensors at 20 K

Abstract Ultra-fast single-photon detectors with high current density and operating temperature can benefit space and ground applications, including quantum optical communication systems, lightweight cryogenics for space crafts, and medical use. Here we demonstrate magnesium diboride (MgB 2 ) thin-film superconducting microwires capable of single-photon detection at 1.55 μ m optical wavelength. We used helium ions to alter the properties of MgB 2 , resulting in microwire-based detectors exhibiting single-photon sensitivity across a broad temperature range of up to 20 K, and detection efficiency saturation for 1 μ m wide microwires at 3.7 K. Linearity of detection rate vs incident power was preserved up to at least 100 Mcps. Despite the large active area of up to 400 × 400 μ m 2 , the reset time was found to be as low as ~ 1 ns. Our research provides possibilities for breaking the operating temperature limit and maximum single-pixel count rate, expanding the detector area, and raises inquiries about the fundamental mechanisms of single-photon detection in high-critical-temperature superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Large-scale Linear Magnetic Holes with Magnetic Mirror Properties in Hybrid Simulations of Solar Wind Turbulence

Magnetic holes (MHs) are coherent magnetic field dips whose size ranges from fluid to kinetic scale, ubiquitously observed in the heliosphere and in planetary environments. Despite the long-standing effort in interpreting the abundance of observations, the origin and properties of MHs are still debated. In this Letter, we investigate the interplay between plasma turbulence and MHs, using a 2D hybrid simulation initialized with solar wind parameters. We show that fully developed turbulence exhibits localized elongated magnetic depressions, whose properties are consistent with linear MHs frequently encountered in space. The observed MHs develop self-consistently from the initial magnetic field perturbations by trapping hot ions with large pitch angles. Ion trapping produces an enhanced perpendicular temperature anisotropy that makes MHs stable for hundreds of ion gyroperiods, despite the surrounding turbulence. We introduce a new quantity, based on local magnetic field and ion temperature values, to measure the efficiency of ion trapping, with potential applications to the detection of MHs in satellite measurements. We complement this method by analyzing the ion velocity distribution functions inside MHs. Our diagnostics reveal the presence of trapped gyrotropic ion populations, whose velocity distribution is consistent with a loss cone, as expected for the motion of particles inside a magnetic mirror. Our results have potential implications for the theoretical and numerical modeling of MHs.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Aerodynamic characteristics of a large-scale, twin tilt-nacelle V/STOL model

A subsonic tilt-nacelle V/STOL aircraft configuration is described which is powered by two turbofan engines, mounted on a single carry-through structure that is designed to maintain the thrust axis close to the center of gravity at nacelle incidences of 5-95 deg. Control during V/STOL operation, often from small ship platforms, is achieved by means of a vane assembly that is immersed in each turbofan's exhaust. Wind tunnel test data have been obtained with an 11.2-m wing span model for the vertical-to-horizontal flight transition capability of the concept. It is found that the aircraft can operate over a broad transition corridor, with sufficient maneuver capability about the trim points. The control vane exhibited linear response characteristics over a large deflection range, with little influence from power, angle of attack or ground proximity in hover. The model induced a positive ground effect in hover that increased as wheel height was approached and strake angle increased.

Falarski, M. D.↗
DOE OSTI2025

Intelligently Partitioned Phasor-EMT Hybrid Simulations of Large-Scale, High-IBR Power Systems

As the penetration level of power electronics-interfaced renewables such as photovoltaics (PV) and wind has surged in modern electric grids, new operational risks caused by the dynamics of those inverter-based resources (IBRs) are emerging in parallel. Lessons learned from various grid events include that the impact of IBRs on system-level grid stability will become prominent along with the increase of renewables and that the short-timescale dynamic impacts of IBRs on grid stability are not fully captured by current commercial dynamic simulation tools [1] [2]. For example, IBRs can be controlled to mitigate those destabilizing interactions, but conventional phasor-domain tools (e.g. PSS/E, PSLF) often cannot capture that; likewise, the existing electromagnetic transient (EMT) simulation tools (e.g. PSCAD, EMTP) can simulate detailed IBR controls, but for large power systems with many IBRs, slow simulation speeds severely impede the ability to study dynamic events [3] [4]. Massively paralleling simulations using high-performance computing (HPC) can help address this, especially now that cloud-based HPC capability is widely available, but today s EMT tools are not HPC-compatible, and parallelization of dynamic simulation solvers is not trivial because each region can dynamically affect the others. Thus, dynamic simulation of grids with very large numbers of IBRs potentially poses a barrier to the ongoing energy transition.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1983

Development of a large scale bipolar NiH2 battery

The bipolar battery concept, developed in cooperation with NASA, is described in the context of the advantages afforded by near-term IPV and CVP cell technology. The projected performance, development requirements, and a possible approach to bipolar battery design are outlined. Consideration is given to packaging electrodes within a common hydrophobic plastic frame, electrode technology that involves a photochemically etched 0.1 mm thick nickel substrate coated with a 10 mg/sq cm mixture of platinum powder and TFE30, and an electrode design that eliminates the screen and doubles the electrode thickness (from the currently used 0.8 mm) while retaining the active material loading of 1.6-1.8 gm/cu cm. Also covered are thermal management, and electrolyte and oxygen management. It is concluded that a high voltage, high capacity, bipolar NiH2 cell can be configured with proper development for use in large power systems, and that it can provide considerable weight savings.

Adler, E.↗
DOE OSTI2021

Large-Scale, GPU-Enhanced DFTB Approaches for Probing Multi-Component Alloys

The major goals of the project are to develop and apply GPU-enhanced density functional theory tight binding (DFTB) calculations for efficient simulations of structural materials of alloy systems. The figure below depicts the GPU algorithmic developments on the left that will be carried out, and the solid-state structures on the right are representative of the complex alloys that can be computed with the GPU-enhanced DFTB approach. The methodology and tools developed in this project encompass accurate intermolecular potentials and GPU enhancements to the density functional tight binding (DFTB) approach for high-throughput ab initio molecular dynamics calculations of multi-component alloys at elevated temperatures. While classical molecular dynamics can handle hundreds of thousands of atoms, it cannot provide a first-principles based description of large, multi-component alloys at the predictive quantum level. At the other extreme, conventional Kohn-Sham DFT methods can probe the true quantum nature of chemical systems; however, these methods cannot tackle the large sizes relevant to these multi-component systems. The DFTB-based ab initio molecular dynamics approach (coupled with our in-house GPU capabilities for enhanced speed) used in this project provides a viable approach for probing these large systems at a quantum level of detail that is significantly faster than current first-principle methods Collectively, the capabilities developed in this project directly respond to DOE HBCU-OMI, AOI 2-1 initiatives by (1) enabling accurate and efficient predictions and (2) bringing a fundamental understanding of structural interactions in these complex systems at elevated temperatures.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Large-scale computational polymer solubility predictions and applications to dissolution-based plastic recycling

Dissolution-based plastic recycling is a promising approach to separate and recover high quality pure polymer resins from multicomponent plastic waste by exploiting differences in polymer solubility. The design of a dissolution-based polymer recycling process requires the selection of appropriate solvent systems and operating temperatures to dissolve only target polymers. Determining these parameters experimentally is challenging due to the wide range of solvents and temperatures possible for a given set of target polymers. In this work, we report a computational scheme that employs molecular dynamics simulations and the Conductor-like Screening Model for Realistic Solvents to predict polymer solubilities. Using this scheme, we established a computational solubility database for 8 common polymers and 1007 solvents at multiple temperatures and measured selected solubilities experimentally to validate computational predictions. Analysis of functional groups within this large database then provides chemical heuristics relating the molecular structures of good and non-solvents for selected polymers. We further developed a tool that automates the selection of solvents for all possible sequences in which target polymers can be selectively dissolved to guide the design of dissolution-based plastic recycling processes. Here, we demonstrate the application of these methods via multiple experimental case studies of representative dissolution-based polymer recycling processes in which pure polymer resins were successfully recovered from physical mixtures of polymers.

42 ENGINEERING↗
NASA NTRS1961

STOL Characteristics of a Propeller-Driven, Aspect-Ratio-10, Straight-Wing Airplane with Boundary-Layer Control Flaps, as Estimated from Large-Scale Wind-Tunnel Tests

A study is presented of the improvements in take-off and landing distances possible with a conventional propeller-driven transport-type airplane when the available lift is increased by propeller slipstream effects and by very effective trailing-edge flaps and ailerons. This study is based on wind-tunnel tests of a 45-foot span, powered model, with BLC on the trailing-edge flaps and controls. The data were applied to an assumed airplane with four propellers and a wing loading of 50 pounds per square foot. Also included is an examination of the stability and control problems that may result in the landing and take-off speed range of such a vehicle. The results indicated that the landing and take-off distances could be more than halved by the use of highly effective flaps in combination with large amounts of engine power to augment lift (STOL). At the lowest speeds considered (about 50 knots), adequate longitudinal stability was obtained but the lateral and directional stability were unsatisfactory. At these low speeds, the conventional aerodynamic control surfaces may not be able to cope with the forces and moments produced by symmetric, as well as asymmetric, engine operation. This problem was alleviated by BLC applied to the control surfaces.

Weiberg, James A↗
NASA NTRS1978

On the stability of self-consistent large amplitude waves in a cold plasma. I - Transverse circularly polarized waves in the absence of a large scale magnetic field

It is demonstrated that a self-consistent circularly polarized wave in an otherwise field-free homogeneous cold plasma is unstable to small amplitude perturbations. For either an electron-positron plasma or an electron-proton plasma the instability rate is at least about the order of the effective plasma frequency when the bulk flow speed is zero. For finite bulk flow speeds of the plasma, it is shown that the electron-positron plasma is unstable, again with a growth rate of the order of the effective plasma frequency; it is also shown that the electron-proton plasma is unstable (at least at small wave numbers, k) with a growth rate proportional to k. The calculated instability rates are conservative, for other modes not investigated here may be more unstable. The results of these calculations bear directly on the understanding of plasma systems thought to be driven by large amplitude waves.

Lee, M. A.↗
NASA NTRS1998

Martian Meteorology: Determination of Large Scale Weather Patterns from Surface Measurements

We employed numerical modelling of the martian atmosphere, and our expertise in understanding martian atmospheric processes, to better understand the coupling between lower and upper atmosphere processes. One practical application of this work has been our involvement with the ongoing atmospheric aerobraking which the Mars Global Surveyor (MGS) spacecraft is currently undergoing at Mars. Dr. Murphy is currently a member of the Mars Global Surveyor (MGS) Aerobraking Atmospheric Advisory Group (AAG). He was asked to participate in this activity based upon his knowledge of martian atmospheric dynamical processes. Aerobraking is a process whereby a spacecraft, in an elliptical orbit, passes through the upper layers of the atmosphere (in this instance Mars). This passage through the atmosphere 'drags' upon the spacecraft, gradually reducing its orbital velocity. This has the effect, over time, of converting the elliptical orbit to a circular orbit, which is the desired mapping orbit for MGS. Carrying out aerobraking eliminates the need for carrying large amounts of fuel on the spacecraft to execute an engine burn to achieve the desired orbit. Eliminating the mass of the fuel reduces the cost of launch. Damage to one of MGS's solar panels shortly after launch has resulted in a less aggressive extended in time aerobraking phase which will not end until March, 1999. Phase 1 extended from Sept. 1997 through March 1998. During this time period, Dr. Murphy participated almost daily in the AAG meetings, and beginning in December 1997 lead the meeting several times per week. The leader of each of the daily AAG meetings took the results of that meeting current state of the atmosphere, identification of any time trends or spatial patterns in upper atmosphere densities, etc.) forward to the Aerobraking Planning Group (APG) meeting, at which time the decision was made to not chance MGS orbit, to lower the orbit to reach higher densities (greater 'drag'), or raise the orbit to avoid experiencing excessive, possibly damaging densities.

Murphy, James R.↗
NASA NTRS1998

Martian Meteorology: Determination of Large Scale Weather Patterns from Surface Measurements

We employed numerical modelling of the martian atmosphere, and our expertise in understanding martian atmospheric processes, to better understand the coupling between lower and upper atmosphere processes. One practical application of this work has been our involvement with the ongoing atmospheric aerobraking which the Mars Global Surveyor (MGS) spacecraft is currently undergoing at Mars. Dr. Murphy is currently a member of the Mars Global Surveyor (MGS) Aerobraking Atmospheric Advisory Group (AAG). He was asked to participate in this activity based upon his knowledge of martian atmospheric dynamical processes. Aerobraking is a process whereby a spacecraft, in an elliptical orbit, passes through the upper layers of the atmosphere (in this instance Mars). This passage through the atmosphere 'drags'upon the spacecraft, gradually reducing its orbital velocity. This has the effect, over time, of converting the elliptical orbit to a circular orbit, which is the desired mapping orbit for MGS. Carrying out aerobraking eliminates the need for carrying large amounts of fuel on the spacecraft to execute an engine burn to achieve the desired orbit. Eliminating the mass of the fuel reduces the cost of launch. Damage to one of MGS's solar panels shortly after launch has resulted in a less aggressive extended in time aerobraking phase which will not end until March, 1999. Phase I extended from Sept. 1997 through March 1998. During this time period, Dr. Murphy participated almost daily in the AAG meetings, and beginning in December 1997 lead the meeting several times per week. The leader of each of the daily AAG meetings took the results of that meeting (current state of the atmosphere, identification of any time trends or spatial patterns in upper atmosphere densities, etc.) forward to the Aerobraking Planning Group (APG) meeting, at which time the decision was made to not change MGS orbit, to lower the orbit to reach higher densities (greater 'drag'), or raise the orbit to avoid experiencing excessive, possibly damaging densities.

Murphy, James R.↗