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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1961

Analog-Computer Investigation of Effects of Friction and Preload on the Dynamic Longitudinal Characteristics of a Pilot-Airplane Combination

With an electric analog computer, an investigation has been made of the effects of control frictions and preloads on the transient longitudinal response of a fighter airplane during abrupt small attitude corrections. The simulation included the airplane dynamics, powered control system, feel system, and a simple linearized pseudopilot. Control frictions at the stick pivot and at the servo valve as well as preloads of the stick and valve were considered individually and in combinations. It is believed that the results which are presented in the form of time histories and vector diagrams present a more detailed illustration of the effects of stray forces and compensating forces in the longitudinal control system than has previously been available. Consistent with the results of previous studies, the present results show that any of these four friction and preload forces caused some deterioration of the response. However, even a small amount of valve friction caused an oscillatory pitching response during which the phasing of the valve friction was such that it caused energy to be fed into the pitching oscillation of the air-plane. Of the other friction and preload forces which were considered, it was found that stick preload was close to 180 deg. out of phase with valve friction and thus could compensate in large measure for valve friction as long as the cycling of the stick encompassed the trim point. Either stick friction or valve preload provided a smaller stabilizing effect primarily through a reduction in the amplitude of the resultant force vector acting on the control system. Some data were obtained on the effects of friction when the damping or inertia of the control system or the pilot lag was varied.

Crane, Harold L.↗
DOE OSTI2022

Assessing entropy for catalytic processes at complex reactive interfaces

When chemical reactions are accelerated by a catalyst, entropy differences between reactants and their transient intermediates can be the driving force behind the promotion or inhibition of desired and parasitic chemical pathways. Understanding and controlling catalytic processes therefore requires both a fundamental and practicable understanding of entropy in addition to enthalpy. In unstructured media such as the vapor phase equilibrated with sparsely covered surfaces, entropy can be adequately accounted for by well-established approaches based on translational, rotational, and harmonic vibrational partition functions. However, these approximations become inadequate in more complex condensed phase environments, e.g., solid liquid interfaces of confined reaction spaces. In this chapter, we provide an overview of the state-of-art in the computational quantification of entropy and its known ramifications on catalysis. The fundamental roles of thermodynamics and kinetics in catalysis are covered in enough detail to appreciate and contextualize the computational methods employed to compute chemically accurate estimates of entropy. These methods are discussed in appropriate detail and range from the ubiquitous harmonic oscillator approximation where entropy unrelated to high frequency oscillations is typically underestimated, to enhanced free energy sampling with molecular dynamics where the desired accuracy must be weighed against the associated computational cost of obtaining it. The rising importance of machine learning and artificial intelligence in accelerating methodological progress in this field is touched upon, as well. Finally, applications, successes, and pitfalls of using these methods are provided to showcase past and present accomplishments while clarifying where improvements in both understanding and methodology are still needed.

Kollias, Loukas↗
DOE OSTI2024

Effective Modulation of Interlayer Excitons in WSe 2 /WS 2 Heterostructures by Plasmon–Exciton Interaction

Effective charge transfer and carrier separation at the interface are paramount for optimizing the performance of devices based on van der Waals heterostructures. In this investigation, surface plasmons generated by gold nanoparticles are employed to modulate the photocarrier dynamics in WSe 2 /WS 2 heterostructures. The results of pump-probe measurements reveal that the efficiency of carrier transfer across the WSe 2 /WS 2 heterostructure interface can be significantly enhanced via energy transfer mechanisms mediated by gold plasmons. Moreover, the electric field engendered by the plasmonic oscillations can modulate the dipole moment of the interlayer exciton. These well-aligned excitons avoid the annihilation and the extension of the lifetime of the excitons with increased pump power is realized by screening effect. The findings presented herein offer valuable insights for the active manipulation of charge transfer and extend our understanding of the integral role played by plasmon-exciton coupling in mediating charge separation in van der Waals heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Halted-pendulum Relaxation: Application to White Dwarf Binary Initial Data

Studying compact-star binaries and their mergers is integral to determining progenitors for observable transients. Today, compact-star mergers are typically studied via state-of-the-art computational fluid dynamics codes. One such numerical technique, smoothed particle hydrodynamics (SPH), is frequently chosen for its excellent mass, energy, and momentum conservation. The natural treatment of vacuum and the ability to represent highly irregular morphologies make SPH an excellent tool for the study of compact-star binaries and mergers. For many scenarios, including binary systems, the outcome of simulations is only as accurate as the initial conditions. For SPH, it is essential to ensure that the particles are distributed regularly, representing the initial density profile but without long-range correlations. Particle noise in the form of high-frequency local motion and low-frequency global dynamics must be damped out. Damping the latter can be as computationally intensive as the actual simulation. We discuss a new and straightforward relaxation method, halted-pendulum relaxation (HPR), to remove global oscillation modes of SPH particle configurations. In combination with effective external potentials representing gravitational and orbital forces, we show that HPR has an excellent performance in efficiently relaxing SPH particles to the desired density distribution and removing global oscillation modes. We compare the method to frequently used relaxation approaches and test it on a white dwarf binary model at its Roche-lobe overflow limit. We highlight the importance of our method in achieving accurate initial conditions and its effect on achieving circular orbits and realistic accretion rates when compared with other general relaxation methods.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1981

Modification of average coronal properties in the presence of periodic temperature and density variations near the base

Conductive damping of the transient motion of the solar corona, and the consequences on the average flow field of conductively re-distributed energy are discussed. A particular example is treated. First, a steady solution for solar wind flow is found for a given set of steady boundary conditions, between 1.4 and 28 solar radii. These boundary conditions are that the density is 1.6xEO6 cm-3 and the temperature is 1.6xEO6 degrees. The flow profiles for this initial state are those shown at t=0 in the figures. Then, at t=0, periodic, in phase, sinusoidal variations in temperature and density are initiated and continued indefinitely. The amplitudes of the variations are 5 percent and 7.5 percent for the temperature and density respectively, imposed at 1.4 solar radii. The variations have a period of 1 hour shorter than a coronal transit time, but sufficiently long for the disturbances to propagate for small distances (2 to 3 solar radii). These oscillations are like those that might occur for acoustic oscillations, although no explanation is offered as to how an acoustic oscillation might extend to this radius in the first place.

Suess, S. T.↗
NASA NTRS2026

Controlled Parametric Forcing During Directional Solidification of a Bulk Organic Alloy Under Microgravity

The response of dendritic microstructures to step-like pulling velocity conditions is investigated using microgravity directional solidification experiments conducted on DECLIC-DSI combined with phase-field simulations. Under a constant pulling velocity of 1.5 µm/s, the evolution toward steady-state growth is characterized in terms of primary spacing, dendrite drift, and tip dynamics. For the first time, side-view observations enabled direct measurement of tip radius and sidebranching frequency. When step-like oscillations of the pulling velocity are imposed, the dendritic array exhibits a strongly period-dependent response: short periods lead to rapid tip adaptation, whereas longer periods induce a phase lag between tip position and morphology, resulting in progressive tip flattening and, above a critical period, interface destabilization and dendrite splitting. Quantitative phase-field simulations, including a realistic thermal field and stochastic noise, reproduce the experimental observations and provide insight into the governing mechanisms, highlighting the role of characteristic relaxation times, sequence-dependent effects, and the irreversible reorganization of the microstructure following splitting.

Microgravity↗
DOE OSTI2026

Exploring Excited State Proton Transfer Dynamics upon Ultraviolet Excitation

Excited state intramolecular proton transfer (ESIPT) has been investigated in two prototypical systems─salicylaldehyde azine (SAA) and 1,5-dihydroxyanthraquinone (DHAQ)─using transient absorption spectroscopy upon ultraviolet excitation into the less studied higher excited (S n ) manifold. Excitation with sub-30 fs pulses and broadband visible probing has allowed for direct measurement of the ESIPT rate. In conjunction with steady-state measurements and TD-DFT calculations, a complete delineation of the ultrafast photophysics has been carried out. In SAA, ESIPT remains ultrafast (∼30 fs), consistent with previous S 1 excitation studies. Coherent vibrational beats maps reveal significant wavelength dependence, however. Theoretical analysis suggests that the observed modes and their intensities in coherent vibrational spectra are modulated by the nature of the electronically excited state. In DHAQ, the first direct observation of ESIPT presents a time-constant of ∼85 fs, and a slower component of 9 ps, akin to previous reports on double-proton transfer systems. Collectively, the results suggest that while the ultrafast ESIPT rate remains largely invariant vis-à-vis the excitation energy, the product yield, as well as accompanying coherent oscillations, may be substantively altered, owing to the existence of alternative decay pathways.

excited states↗
DOE OSTI2024

Embedding Neural Thermal Scattering (NeTS) Modules in SERPENT for Higher Fidelity Advanced Reactor Analysis

When a neutron born in fission thermalizes to the order of $k$ $B$ $T$, it’s de-Broglie wavelength and energy approach the order of inter-atomic spacing and elementary lattice oscillations, respectively. $S$($a,β,t$) or the scattering law, uuantify these temperature-dependent crystallographic contributions to total cross section (or reaction rate). In a Monte Carlo analysis, cumulative distribution functions (CDFs) of $S$($a,β,t$) are loaded to memory from “A Compact ENDF” (ACE) files for stochastically selecting thermal scattered neutron trajectories. In this work, novel neural thermal scattering (NeTS) modules for $S$($a,β,t$) CDFs are designed, trained, serialized and embedded within SERPENT using Python’s limited C-API for on-the-fly deployment of crystalline graphite $S$($a,β,t$) sampling. Torchscript tracing and Numba just-in-time (JIT) compilation streamline neural inference on NVIDIA GPUs with CUDA libraries. Demonstrations of bare sphere thermalization of fast and thermal sources show excellent agreement between embedded NeTS in SERPENT and MCNP. With an explicit model of the reactor, NeTS can predict on-the-fly changes in TREAT neutron spectra as a function of local temperature, which can serve to improve transient and accident predictions in a multiphysics analysis framework. This framework can be further extended to account on-the-fly for changes in local graphitic microstructure to scattering cross sections, and outlines a novel coupling of modern machine learning with state-of-the-art reactor physics methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Discovery of a Transition to Global Spin-Up in EXO 2030+375

EXO 2030+375, a 42 second transient X-ray pulsar with a Be star companion, has been observed to undergo an outburst at nearly every periastron passage for the last 13.5 years. From 1994 through 2002, the global trend in the pulsar spin frequency was spin-down. Using RXTE data from 2003 September, we have observed a transition to global spin-up in EXO 203G+375. Although the spin frequency observations are sparse, the relative spin-up between 2002 June and 2003 September observations along with an overall brightening of the outbursts since mid 2002 observed with the RXTE ASM accompanied by an increase in density of the disk indicated by infrared magnitudes suggest that the pattern observed with BATSE of a roughly constant spin frequency, followed by spin-up, followed by spin-down is repeating. If so this pattern has approximately an 11 year period, similar to the 15 plus or minus 3 year period derived by Wilson et al. (2002) for the precession period of a one-armed oscillation in the Be disk. If this pattern is indeed repeating, we predict a transition from spin-up to spin-down in 2005.

Wilson, Colleen A.↗
DOE OSTI2025

A Fundamentally New Coupled Approach to Contact Mechanics via the Dirichlet‐Neumann Schwarz Alternating Method

Contact phenomena are crucial for understanding the behavior of mechanical systems. However, existing computational approaches for simulating mechanical contact often face numerical challenges, such as inaccurate physical predictions, energy conservation errors, and unwanted oscillations. Here, we introduce an alternative technique for simulating dynamic contact based on the non‐overlapping Schwarz alternating method, originally developed for domain decomposition. In multibody contact scenarios, this method treats each body as a separate, non‐overlapping domain and prevents interpenetration using an alternating Dirichlet–Neumann iterative process. This approach has a strong theoretical foundation, eliminates the need for contact constraints, and offers flexibility, making it ideal for multiscale and multiphysics applications. We conducted a numerical comparison between the Schwarz method and traditional methods, such as the Lagrange multiplier and penalty methods, focusing on a benchmark impact problem. Our results indicate that the Schwarz alternating method outperforms traditional methods in several key areas: it provides more accurate predictions for various measurable quantities and demonstrates exceptional energy conservation capabilities. To address unwanted oscillations in contact velocities and forces, we explored various algorithms and stabilization techniques, ultimately opting for the naïve‐stabilized Newmark scheme for its simplicity and effectiveness. Additionally, we validated the efficiency of the Schwarz method in a three‐dimensional impact problem, highlighting its inherent capacity to accommodate different mesh topologies, time‐integration schemes, and time steps for each interacting body.

Schwarz alternating method↗
DOE OSTI2023

Coherences of Photoinduced Electron Spin Qubit Pair States in Photosystem I

Here, this publication presents the first comprehensive experimental study of electron spin coherences in photosynthetic reaction center proteins, specifically focusing on photosystem I (PSI). The ultrafast electron transfer in PSI generates spin-correlated radical pairs (SCRPs), which are entangled spin pairs formed in well-defined spin states (Bell states). Since their discovery in our group in the 1980s, SCRPs have been extensively used to enhance our understanding of structure–function relationships in photosynthetic proteins. More recently, SCRPs have been utilized as tools for quantum sensing. Electron spin decoherence poses a significant challenge in realizing practical applications of electron spin qubits, particularly the creation of quantum entanglement between multiple electron spins. This work is focused on the systematic characterization of decoherence in SCRPs of PSI. These decoherence times were measured as electron spin echo decay times, termed phase memory times (T M ), at various temperatures. Decoherence was recorded on both transient SCRP states P 700 + A 1 – and thermalized states. Our study reveals that T M exhibits minimal dependence on the biological species, biochemical treatment, and paramagnetic species. The analysis indicates that nuclear spin diffusion and instantaneous diffusion mechanisms alone cannot explain the observed decoherence. As a plausible explanation we discuss the assumption that the low-temperature dynamics of methyl groups in the protein surrounding the unpaired electron spin centers is the main factor governing the loss of the spin coherence in PSI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Discovery of a Transition to Global Spin-up in EXO 2030+375

EXO 2030+375, a 42 s transient X-ray pulsar with a Be star companion, has been observed to undergo an outburst at nearly every periastron passage for the last 13.5 years. From 1994 through 2002, the global trend in the pulsar spin frequency was spin-down. Using Rossi X-Ray Timing Explorer (RXTE) data from 2003 September, we have observed a transition to global spin-up in EXO 2030+375. Although the spin-frequency observations are sparse, the relative spin-up between 2002 June and 2003 September observations, along with an overall brightening of the outbursts since mid-2002 observed with the RXTE All-Sky Monitor, accompanied by an increase in density of the Be disk, indicated by infrared magnitudes, suggest that the pattern observed with BATSE of a roughly constant spin frequency, followed by spin-up, followed by spin-down is repeating. If so, this pattern has approximately an 11 yr period, similar to the 15 +/- 3 yr period derived by Wilson et al. for the precession period of a one-armed oscillation in the Be disk. If this pattern is indeed repeating, we predict a transition from spin-up to spin-down in 2005.

Wilson, Colleen A.↗
NASA NTRS1953

Altitude Starting Characteristics of an Afterburner with Autoignition and Hot-streak Ignition

An investigation was conducted in an altitude test chamber at the NACA Lewis Laboratory to determine the altitude starting characteristics of an afterburner with autoignition and with hot-streak ignition. Transient afterburner ignition data were obtained over a range of altitudes from 30,000 to 50,000 feet at a flight Mach number of 0.60. Afterburner ignition with a torch igniter located axially at approximately the midpoint of the combustion chamber was possible over the entire range, but ignition ignition with a torch igniter located in the transition section 1 5/8 inches upstream of the turbine stators proved unsatisfactory at an altitude of 50,000 feet due to the inability to obtain flame through the turbine. Increasing the afterburner-inlet total pressure at a constant afterburner fuel-air ratio decreased the afterburner ignition time. Hot-streak ignition was possible within 2 seconds after the time required to obtain the preset, normal afterburner fuel pressure, whereas autoignition required 4 to 7 seconds for the range of altitudes investigated. Following the ignition there was a period of oscillatory operation existing in the engine-afterburner before steady-state operation was attained. The time required for steady-state stable operation decreased as afterburner inlet total pressure increased. The duration of oscillations also decreased with hot-streak ignition because the fuel-air mixture was ignited before a large volume of combustible mixture was accumulated in the afterburner.

Engines, Control - Turbojet↗
NASA NTRS1999

Dynamics of the Molten Contact Line

The purpose of this program is to develop a basic understanding of how a molten material front spreads over a solid that is below its melting point, arrests, and freezes. Our hope is that the work will contribute toward a scientific knowledge base for certain new applications involving molten droplet deposition, including the "printing" of arbitrary three-dimensional objects by precise deposition of individual molten microdrops that solidify after impact. Little information is available at this time on the capillarity-driven motion and arrest of molten contact line regions. Schiaffino and Sonin investigated the arrest of the contact line of a molten microcrystalline wax spreading over a subcooled solid "target" of the same material. They found that contact line arrest takes place at an apparent liquid contact angle that depends primarily on the Stefan number S=c(T(sub f) -T(sub t)/L based on the temperature difference between the fusion point and the target temperature, and proposed that contact line arrest occurs when the liquid's dynamic contact angle approaches the angle of attack of the solidification front just behind the contact line. They also showed, however, that the conventional continuum equations and boundary conditions have no meaningful solution for this angle. The solidification front angle is determined by the heat flux just behind the contact line, and the heat flux is singular at that point. By comparing experiments with numerical computations, Schiaffino and Sonin estimated that the conventional solidification model must break down within a distance of order 0.1 - 1 microns of the contact line. The physical mechanism for this breakdown is as yet undetermined, and no first-principles theory exists for the contact angle at arrest. Schiaffino and Sonin also presented a framework for understanding how to moderate Weber number molten droplet deposition in terms of similarity laws and experimentation. The study is based on experiments with three molten materials- molten wax on solid wax, water on ice, and mercury on frozen mercury- which between them span a considerable range of the deposition/solidification similarity parameters. Correlations are obtained for the spreading velocity, spreading time scales, the spreading factor (i.e. ratio of deposited drop's final footprint radius and the drop's initial radius), post-spreading liquid oscillation amplitudes and time scales, and bulk solidification time scales. Duthaler carried out an experimental and theoretical investigation of the relationship between the liquid's apparent contact angle and the Capillary number Ca=mu U/sigma based on contact line speed, for molten materials spreading over subcooled solids. This relationship is required for modeling of melt spreading. We have adapted Voinov's methodology to the molten contact line and formulated a theoretical model for the Ca vs. contact angle relationship, based Schiaffino and Sonin#s (1997a,b) wedge-like solidification front model. With the solidification front angle taken from Schiaffino and Sonin, the model is in good agreement with the experimental results for Ca vs. contact angle. Duthaler also extended the experimental investigation of droplet deposition and contact line freezing to more materials, including solder on glass, solder on solder, water on ice, and molten microcrystalline wax on wax. The latter also included tests on inclined targets. Deposition tests have also been done with molten octacosane (C28H58) on various targets. An important objective of our program has been the development of micron-scale sensors for measuring the transient temperature at a point on the substrate surface as a molten contact line moves over it. The expectation is that this temperature history will yield a better understanding of the thermal process in the contact line region. The sensors are of the thermistor type, either 2.5 microns or 1.5 microns square, microfabricated with silicon-based technology on either pure silicon or amorphous silicon dioxide chips. Each chip has 32 sensors distributed on its surface in arrays. The time response is better than 10 ms. At the time of writing, sensor calibration is in progress. Results on thermal transients during contact line passage will be discussed at the conference. While we expect that the data will provide information on the near-contact-line heat transfer process, we also foresee possible problems. First, the spatial resolution of the sensors may be insufficient to resolve the near-contact-line region. Second, the sensors protrude about 0.5 microns above the substrate surface, and may affect the contact line motion. Third, a sensor's temperature history depends on both the heat flux distribution into it from the fusion front and the thermal properties of the substrate below it and the solidified melt between it and the fusion front. The heat flux distribution in the contact line region must therefore be unfolded from computations of the overall system's transient thermal response.

Sonin, Ain A.↗
NASA NTRS2021

Plumelets: Dynamic Filamentary Structures in Solar Coronal Plumes

Solar coronal plumes long seemed to possess a simple geometry supporting spatially coherent, stable outflow without significant fine structure. Recent high-resolution observations have challenged this picture by revealing numerous transient, small-scale, collimated out-flows (“jetlets”) at the base of plumes. The dynamic filamentary structure of solar plumes above these outflows, and its relationship with the overall plume structure, have remained largely unexplored. We analyzed the statistics of continuously observed fine structure in-side a single representative bright plume within a mid-latitude coronal hole during 2016 July2-3. By applying advanced edge-enhancement and spatiotemporal analysis techniques to ex-tended series of high-resolution images from the Solar Dynamics Observatory’s Atmospheric Imaging Assembly, we determined that the plume was composed of numerous time-evolving filamentary substructures, referred to as “plumelets” in this paper, that accounted for most of the plume emission. The number of simultaneously identifiable plumelets was positively correlated with plume brightness, peaked in the fully formed plume, and remained saturated thereafter. The plumelets had transverse widths of 10 Mm and intermittently supported upwardly propagating periodic disturbances with phase speeds of 190-260 km s−1and longitudinal wavelengths of 55-65 Mm. The characteristic frequency (3.5 mHz) is commensurate with that of solar p-modes. Oscillations in neighboring plumelets are uncorrelated, indicating that the waves could be driven by p-mode flows at spatial scales smaller than the plumelet separation. Multiple independent sources of outflow within a single coronal plume should impart significant fine structure to the solar wind that may be detectable by Parker Solar Probe and Solar Orbiter.

V M Uritsky↗
DOE OSTI2025

Surface Carboxylate Sensitivity to Electron and Hole Relaxation in Photoexcited Cadmium Sulfide Nanocrystals

Understanding how passivating surface ligands couple to excitonic states in nanocrystal photocatalysts is crucial for controlling nonradiative relaxation pathways which compete with interfacial charge transfer. Here, we report femtosecond transient infrared (IR) spectroscopy to resolve ∼100 fs ligand-exciton coupling between 1S exciton states in oleate-capped cadmium sulfide (CdS) nanocrystals and vibrational modes of surface carboxylates. Differential mid-IR spectra show distinct negative amplitude and positive photoinduced absorption signals at ∼1540 cm –1 (carboxylate asymmetric stretch) and ∼1440 cm –1 (carboxylate symmetric stretch), respectively. Fluence-dependent transient IR measurements reveal that the symmetric stretch is uniquely sensitive to picosecond Auger recombination, while the asymmetric stretch shows no analogous decay. Our results provide direct measurement of femtosecond ligand-exciton coupling in CdS nanocrystals and demonstrate how surface-bound carboxylate ligands serve as carrier-specific reporters of nanocrystal photophysics. Furthermore, these findings offer critical insights for designing and developing predictive models for ligand-mediated strategies in next-generation nanocrystal photocatalysts.

Cadmium sulfide↗
DOE OSTI2026

Electromagnetic Transient Modeling of Data Centers

This report serves as a user manual for the accompanying EMT model library developed by the National Laboratory of the Rockies (NLR) for various equipment in large data centers. The EMT model library enables detailed modeling of large data center loads for conducting grid stability studies. The EMT model library for data centers include detailed models of a 5.5 kW power supply unit (PSU), a 2.5 uninterruptible power supply (UPS), a 260 MW gas turbine-generator, a 500 kW motor load, and a 33 kW IT rack. These components represent all major equipment in data centers that need to be modeled for performing grid stability studies for data centers.

24 POWER TRANSMISSION AND DISTRIBUTION↗