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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

DyG-DPCD: A Distributed Parallel Community Detection Algorithm for Large-Scale Dynamic Graphs

Dynamic (Temporal) graphs capture the valuable evolution of real-world systems, from the continuously evolving patterns of social interactions and genetic pathways to the dynamic fluctuations of economic forces. Detecting communities for such evolving networks poses unique challenges. Detecting and analyzing the evolution of communities within dynamic graphs unlocks valuable insights into the underlying structural and temporal patterns of real-world systems. However, the sheer volume of modern graph data and the inherent complexity of the temporal dimension pose significant challenges to scalable community detection algorithms. Addressing this gap, our work explores the limited landscape of scalable distributed-memory parallel methods specifically designed for dynamic network community detection. We propose a novel parallel algorithm, DyG-DPCD (Dynamic Graph Distributed Parallel Community Detection), to detect communities in dynamic networks using the Message Passing Interface (MPI) framework. We present a vertex-centric approach, allowing us to detect communities through local optimization. Furthermore, we enhance our baseline algorithm by incorporating three heuristics, which improve the algorithm’s performance significantly while maintaining the quality of the solutions. We demonstrate the efficiency of our algorithm by experimenting on several real-world large-scale networks with hundreds of millions of edges spanning diverse domains. Notably, DyG-DPCD achieves speedups between 25× and 30× for large networks that we experimented on using NERSC compute nodes. In conclusion, our algorithm outperforms the STINGER parallel re-agglomeration algorithm by 30×.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Petaloid-shaped ZnO coated carbon felt as a controllable host to construct hierarchical Li composite anode

Prestoring Li metal into the 3D host via thermal infusion strategy has been considered as an effective approach on suppressing Li dendrites growth of Li-metal anode during cycling. However, the fast Li infusing process generally induces uncontrollable and undesirable structures during the formation of composite Li metal anode. It is widely accepted that both physical and chemical interactions between the molten Li and the hosts provide driving forces for Li infusing into the host, but which one plays the dominant role has not been explored clearly. In this work, a 3D carbon felt coated by petaloid zinc oxide (CFZO) is designed as a controllable host for prestoring Li metal via thermal infusion method. It is revealed that the morphology induced physical driving force plays a more important role than the chemical reaction between ZnO and molten Li in the thermal infusion process. The physical driving force originates from the capillarity effect, depending on the roughness of the host according to Wenzel's model. An adjustable Li infusing process can be controlled to fabricate the Li composite electrode with a hierarchical structure (with dense Li-rich layer and porous Li-poor layer). The unique structure of the CFZO-Li not only provides enough spaces for Li deposition, but also disperses local current density to induce a uniform Li deposition behavior, thus Li dendrites can be suppressed effectively. As a result, CFZO-Li anode exhibits promising cycle stability when coupled with both Li-containing (LiNi 0.8 Co 0.15 Al 0.05 O 2 ) and Li-free (sulfur) cathodes.

25 ENERGY STORAGE↗
DOE OSTI2020

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Tautomerism induces bending and twisting of biogenic crystals

Understanding and exploiting material flexibility through phenomena such as the bending and twisting of molecular crystals has been a subject of increased interest owing to the number of applications that benefit from these properties, such as optoelectronics, mechanophotonics, soft robotics, and smart sensors. Here, we report the growth of spontaneously bent and twisted ammonium urate crystals induced by the keto–enol tautomerism of the urate molecule. The major tautomer is native to biogenic crystals, whereas the minor tautomer functions as an effective crystal growth modifier to induce naturally bent and twisted ammonium urate crystals. We show that the degree of curvature can be tailored based on the judicious selection of growth conditions. A combination of state-of-the-art microscopy and spectroscopy techniques are used to characterize the origin of bending. Spatially resolved nano-electron diffraction and high-resolution electron microscopy of naturally bent crystals show nearly single crystallinity with local lattice deformations generated by a combination of screw and edge dislocations. These observations are consistent with photoinduced force microscopy and contact resonance atomic force microscopy, which confirmed spatially resolved changes in the intermolecular interactions and the mechanical properties throughout the cross-sectional and axial regions of bent crystals. A mechanism of bending involving the generation of regionally specific dislocations is proposed as an alternative to more commonly reported models. These findings highlight a unique characteristic of tautomeric crystals that may have broader implications for other biogenic materials.

Science & Technology - Other Topics↗
DOE OSTI2024

How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?

Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a delicate interplay of intermolecular interactions such as hydrogen bonding and Van der Waals dispersion forces. Here, by exploiting recent algorithmic developments, we report the first set of diffusion Monte Carlo lattice energies for all 23 molecular crystals in the popular and widely used X23 dataset. Comparisons with previous state-of-the-art lattice energy predictions (on a subset of the dataset) and a careful analysis of experimental sublimation enthalpies reveals that high-accuracy computational methods are now at least as reliable as (computationally derived) experiments for the lattice energies of molecular crystals. Overall, this work demonstrates the feasibility of high-level explicitly correlated electronic structure methods for broad benchmarking studies in complex condensed phase systems, and signposts a route towards closer agreement between experiment and simulation. Published by the American Physical Society 2024

Physics↗
NASA NTRS1981

Determination of rotor wake induced empennage airloads

A computer program has been developed that predicts the unsteady aerodynamic forces that impinge on the empennage surface due to its interactions with the main rotor wake. The program was utilized to determine the vibration airloads acting on the Black Hawk horizontal stabilizer and on the CH-53A stabilizer under high speed forward flight conditions. The results demonstrate that it is possible to compute the high frequency empennage vibration airloads efficiently by utilizing suitable analysis techniques; a CH-53A case required only 1.3 minutes of computer time. Numerical problems associated with the unsteady Kutta condition have been minimized. Even though the analysis is of transient nature, the results for harmonic cases show a very fast convergence to periodicity. In general, good correlation was shown between the predicted vibratory airloads and the measured stabilizer airloads for a CH-53A helicopter operating at high speed flight conditions.

Gangwani, S. T.↗
NASA NTRS1987

Advanced propeller research

Resent results of aerodynamic and acoustic research on both single and counter-rotation propellers are reviewed. Data and analytical results are presented for three propellers: SR-7A, the single rotation design used in the NASA Propfan Test Assessment (PTA); and F7-A7, the 8+8 counterrotating design used in the proof-of-concept Unducted Fan (UDF) engine. In addition to propeller efficiencies, cruise and takeoff noise, and blade pressure data, off-design phenomena involving formation of leading edge vortices are described. Aerodynamic and acoustic computational results derived from three-dimensional Euler and acoustic radiation codes are presented. Research on unsteady flows, which are particularly important for understanding counterrotation interaction noise, unsteady loading effects on acoustics, and flutter or forced response is described. The first results of three-dimensional unsteady Euler solutions are illustrated for a single rotation propeller at an angle of attack and for a counterrotation propeller. Basic experimental and theoretical results from studies of the unsteady aerodynamics of oscillating cascades are outlined. Finally, advanced concepts involving swirl recovery vanes and ultra bypass ducted propellers are discussed.

Groeneweg, John F.↗
NASA NTRS1991

Electromagnetic Gun With Commutated Coils

Proposed electromagnetic gun includes electromagnet coil, turns of which commutated in sequence along barrel. Electrical current fed to two armatures by brushes sliding on bus bars in barrel. Interaction between armature currents and magnetic field from coil produces force accelerating armature, which in turn, pushes on projectile. Commutation scheme chosen so magnetic field approximately coincides and moves with cylindrical region defined by armatures. Scheme has disadvantage of complexity, but in return, enables designer to increase driving magnetic field without increasing armature current. Attainable muzzle velocity increased substantially.

Elliott, David G.↗
NASA NTRS1989

Numerical simulation of nonlinear development of instability waves

The nonlinear interactions of high amplitude instability waves in turbulent jets are described. In plane shear layers Riley and Metcalf (1980) and Monkewitz (1987) have shown that these interactions are dependent, among other parameters, on the phase-difference between the two instability waves. Therefore, here researchers consider the nonlinear development of both the amplitudes and the phase of the instability waves. The development of these waves are also coupled with the development of the mean flow and the background turbulence. In formulating this model it is assumed that each of the flow components can be characterized by conservation equations supplemented by closure models. Results for the interactions between the two instability waves under high-amplitude forcing at fundamental and subharmonic frequencies are presented here. Qualitative agreements are found between the present predictions and available experimental data.

Mankbadi, Reda R.↗
NASA NTRS1990

Advanced propeller research

Recent results of aerodynamic and acoustic research on both single rotation and counterrotation propellers are reviewed. Data and analytical results are presented for three propellers: SR-7A, the single rotation design used in the NASA Propfan Test Assessment (PTA) flight program; CRP-X1, the initial 5+5 Hamilton Standard counterrotating design; and F7-A7, the 8+8 counterrotating G.E. design used in the proof of concept Unducted Fan (UDF) engine. In addition to propeller efficiencies, cruise and takeoff noise, and blade pressure data, off-design phenomena involving formation of leading edge vortexes are described. Aerodynamic and acoustic computational results derived from 3-D Euler and acoustic radiation codes are presented. Research on unsteady flows which are particularly important for understanding counterrotation interaction noise, unsteady loading effects on acoustics, and flutter or forced response is described. The first results of 3-D unsteady Euler solutions are illustrated for a single rotation propeller at angle of attack and for a counterrotation propeller. Basic experimental and theoretical results from studies on the unsteady aerodynamics of oscillating cascades are outlined.

Groeneweg, John F.↗
NASA NTRS1992

The theory of magnetohydrodynamic wave generation by localized sources. III - Efficiency of plasma heating by dissipation of far-field waves

The fraction of radiation emitted by Alfven waves is calculated by using two separate methods to determine whether the Alfven flux generated in the photosphere is sufficient to heat the corona. One method employs a set of scaling laws for the fluxes as functions of plasma and source parameters; the second method consist of a procedure for calculating the flux in each waveband from the interaction of vector-harmonic components of an arbitrary applied forcing. Both methods indicate that the Alfven flux accounts roughly for half of the total emission. The need to reexamine estimates of the amount of Alfven flux reaching the corona based on observations of plasma disturbances in the photosphere is emphasized.

Collins, William↗
NASA NTRS1993

Mars dust storms - Interannual variability and chaos

The hypothesis is that the global climate system, consisting of atmospheric dust interacting with the circulation, produces its own interannual variability when forced at the annual frequency. The model has two time-dependent variables representing the amount of atmospheric dust in the northern and southern hemispheres, respectively. Absorption of sunlight by the dust drives a cross-equatorial Hadley cell that brings more dust into the heated hemisphere. The circulation decays when the dust storm covers the globe. Interannual variability manifests itself either as a periodic solution in which the period is a multiple of the Martian year, or as an aperiodic (chaotic) solution that never repeats. Both kinds of solution are found in the model, lending support to the idea that interannual variability is an intrinsic property of the global climate system. The next step is to develop a hierarchy of dust-circulation models capable of being integrated for many years.

Ingersoll, Andrew P.↗
NASA NTRS1991

On the origin of the streak spacing in turbulent shear flows

It is shown that the ideas of selective amplification and direct resonance, based on linear theory, can not provide an explanation for the well-defined streak spacing of about 100 wall units (referred to as 100(+) hereafter) in wall-bounded turbulent shear flows. In addition, for the direct resonance theory, the streaks are created by the non-linear self-interaction of the vertical velocity rather than of the directly forced vertical vorticity. In view of the failure of these approaches, it is then proposed that the selection mechanism must be inherently non-linear and correspond to a self-sustaining mechanism. The 100(+) value should thus be considered as a critical Reynolds number for that mechanism. Indeed, in the case of Poiseuille flow, this 100(+) criterion for transition to turbulence corresponds to the usually quoted value of 1000 based on the half-width and the centerline velocity. In Couette flow, it corresponds to a critical Reynolds number of about 400 based on the half width and half velocity difference.

Waleffe, Fabian A.↗
NASA NTRS2003

Magnetogasdynamic Power Extraction and Flow Conditioning for a Gas Turbine

An extension of the Russian AJAX concept to a turbojet is being explored. This magnetohydrodynamic (MHD) energy bypass engine cycle incorporating conventional gas turbine technology has MHD flow conditioning at the inlet to electromagnetically extract part of the inlet air kinetic energy. The electrical power generated can be used for various on-board vehicle requirements including plasma flow control around the vehicle or it may be used for augmenting the expanding flow in the high speed nozzle by MHD forces to generate more thrust. In order to achieve this interaction, the air needs to be ionized by an external means even up to fairly high flight speeds, and the leading candidates may be classified as electrical discharge devices. The present kinetic modeling calculations suggest that the use of electron beams with characteristics close to the commercially available e-beam systems (electron energy approx. 60 keV, beam current approx. 0.2 mA/sq cm) to sustain ionization in intermediate pressure, low-temperature (P = 0.1 atm, T = 300 K) supersonic air flows allows considerable reduction of the flow kinetic energy (up to 10 to 20 percent in M = 3 flows). The calculations also suggest that this can be achieved at a reasonable electron beam efficiency (eta approx. 5), even if the e-beam window losses are taken into account. At these conditions, the exit NO and O atom concentrations due to e-beam initiated chemical reactions do not exceed 30 ppm. Increasing the beam current up to approx. 2 mA/sq cm, which corresponds to a maximum electrical conductivity of sigma(sub max) approx. 0.8 mho/m at the loading parameter of K = 0.5, would result in a much greater reduction of the flow kinetic energy (up to 30 to 40 percent). The MHD channel efficiency at these conditions would be greatly reduced (to eta approx. 1) due to increased electron recombination losses in the channel. At these conditions, partial energy conversion from kinetic energy to heat would result in a significant total pressure loss (P(sub 0)/P(sub 0i) approx. 0.3). The total pressure loss can be reduced operating at the loading parameter closer to unity, at the expense of the reduced electrical power output. Raising the beam current would also result in the increase of the exit O atom concentrations (up to 600 ppm) and NO (up to 150 ppm).

Adamovich, Igor V.↗
NASA NTRS2008

Controlling Charging and Arcing on a Solar Powered Auroral Orbiting Spacecraft

The Global Precipitation Measurement satellite (GPM) will be launched into a high inclination (65 degree) orbit to monitor rainfall on a global scale. Satellites in high inclination orbits have been shown to charge to high negative potentials, with the possibility of arcing on the solar arrays, when three conditions are met: a drop in plasma density below approximately 10,000 cm(exp -3), an injection of energetic electrons of energy more that 7-10 keV, and passage through darkness. Since all of these conditions are expected to obtain for some of the GPM orbits, charging calculations were done using first the Space Environment and Effects (SEE) Program Interactive Spacecraft Charging Handbook, and secondly the NASA Air-force Spacecraft Charging Analyzer Program (NASCAP-2k). The object of the calculations was to determine if charging was likely for the GPM configuration and materials, and specifically to see if choosing a particular type of thermal white paint would help minimize charging. A detailed NASCAP-2k geometrical model of the GPM spacecraft was built, with such a large number of nodes that it challenged the capability of NASCAP-2k to do the calculations. The results of the calculations were that for worst-case auroral charging conditions, charging to levels on the order of -120 to -230 volts could occur on GPM during night-time, with differential voltages on the solar arrays that might lead to solar array arcing. In sunlit conditions, charging did not exceed -20 V under any conditions. The night-time results were sensitive to the spacecraft surface materials chosen. For non-conducting white paints, the charging was severe, and could continue unabated throughout the passage of GPM through the auroral zone. Somewhat conductive (dissipative) white paints minimized the night-time charging to levels of -120 V or less, and thus were recommended for GPM thermal control. It is shown that the choice of thermal control paints is important to prevent arcing on high inclination orbiting spacecraft solar arrays as well as for GEO satellites, even for solar array designs chosen to minimize arcing.

Ferguson, Dale C.↗
NASA NTRS2007

Several Developments in Space Tethers

Five reports address different aspects of development of tethers to be deployed from spacecraft in orbit around the Earth. The first report discusses proposed optoelectronic tracking of retroreflective objects located at intervals or of retroreflective coats along the entire length of a tether to measure lateral motions. The second report describes digitally controlled spooling machinery that retracts or extends a tape tether at controlled speed and tension in the spool isolated from uncontrolled tension on the outside. The third report discusses part of this machinery that pivots to accommodate misalignments between the deployed and spooled portions of the tether and contains rollers used to exert tension and speed control. The fourth report discusses aspects of designs of proposed electrodynamic tethers, which would be electrically conductive and would interact with the magnetic field of the Earth to exert forces to modify orbits of deploying spacecraft. The fifth report discusses electrical aspects of designs of electrodynamic tape tethers, including the use of solar cells or motional electromagnetic force to generate currents in tethers and the use of electron emitters and electron and ion collectors at opposite ends of tethers to make electrical contact with the thin plasma in surrounding space.

Santangelo, Andrew↗
NASA NTRS2011

Modeling, Analysis and Simulation Approaches Used in Development of the National Aeronautics and Space Administration Max Launch Abort System

The National Aeronautics and Space Administration (NASA) Engineering and Safety Center was chartered to develop an alternate launch abort system (LAS) as risk mitigation for the Orion Project. Its successful flight test provided data for the design of future LAS vehicles. Design of the flight test vehicle (FTV) and pad abort trajectory relied heavily on modeling and simulation including computational fluid dynamics for vehicle aero modeling, 6-degree-of-freedom kinematics models for flight trajectory modeling, and 3-degree-of-freedom kinematics models for parachute force modeling. This paper highlights the simulation techniques and the interaction between the aerodynamics, flight mechanics, and aerodynamic decelerator disciplines during development of the Max Launch Abort System FTV.

Yuchnovicz, Daniel E.↗
NASA NTRS2012

Advances in Rotor Performance and Turbulent Wake Simulation Using DES and Adaptive Mesh Refinement

Time-dependent Navier-Stokes simulations have been carried out for a rigid V22 rotor in hover, and a flexible UH-60A rotor in forward flight. Emphasis is placed on understanding and characterizing the effects of high-order spatial differencing, grid resolution, and Spalart-Allmaras (SA) detached eddy simulation (DES) in predicting the rotor figure of merit (FM) and resolving the turbulent rotor wake. The FM was accurately predicted within experimental error using SA-DES. Moreover, a new adaptive mesh refinement (AMR) procedure revealed a complex and more realistic turbulent rotor wake, including the formation of turbulent structures resembling vortical worms. Time-dependent flow visualization played a crucial role in understanding the physical mechanisms involved in these complex viscous flows. The predicted vortex core growth with wake age was in good agreement with experiment. High-resolution wakes for the UH-60A in forward flight exhibited complex turbulent interactions and turbulent worms, similar to the V22. The normal force and pitching moment coefficients were in good agreement with flight-test data.

Chaderjian, Neal M.↗