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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 OSTI2025

Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/Vis Absorption Energy Prediction

Time-dependent density functional theory (TDDFT) combined with range-separated hybrid (RSH) functionals and a tuned range-separation parameter γ offers a computationally economical approach for high-throughput excited- state property predictions. The γ-tuning procedure in the gas phase is well established. However, no agreement on the best γ- tuning procedure has been made when considering the solvent effect with implicit solvent models like the polarizable continuum model (PCM). To answer that question, this study created a diverse dataset with 937 molecules with experimental solutionphase UV/vis absorption spectra. Three γ-tuning methods, the gasphase γ-tuning (GPγT), the partial vertical γ-tuning (PVγT), and the strict vertical γ-tuning (SVγT), were evaluated for the ωPBEh functional over the entire dataset. Additional benchmarks are done for the optimally tuned screened range-separated hybrid combined with the PCM approach (SRSH-PCM) and the solvation-mediated tuning procedure (sol-med-OT). Our findings revealed that the optimal γ-values obtained by the PVγT and the SVγT are significantly smaller than the GPγT. This trend holds consistently across all molecules in our dataset, and we explained the origin of this phenomenon. TDDFT calculations with PVγTand SVγT-tuned γ-values and default global Fock exchange fraction achieve superior performance compared to those using GPγTtuned or default γ and slightly outperform SRSH-PCM and sol-med-OT with similar or lesser computational cost. Furthermore, we found that the smaller γ-values from SVγT captured the expected 1/(εR) asymptotic behavior in the solution phase, resulting in accurate prediction of solution-phase CT excitations, consistent with the screened asymptote behavior encoded in SRSH-PCM. These results show that SVγT is the best scheme for high-throughput UV/vis absorption spectrum calculations using the ωPBEh functional from a data-driven perspective.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

An Accretion Model for the Growth of Black Hole in Quasars

A possible accretion model associated with the ionization instability of quasar disks is proposed to address the growth of the central black hole harbored in the host galaxy. The evolution of quasars in cosmic time is assumed to change from a highly active state to a quiescent state triggered by the S-shaped ionization instability of the quasar accretion disk. For a given external mass transfer rate ionization instability can modify accretion rate in the disk and separates the accretion flows of the disk into three different phases like a S-shape. We suggest that the bright quasars observed today are those quasars with disks in the upper branch of S-shaped instability and the dormant quasars are the system in the lower branch. The disk is assumed to evolve as ADIOS configuration in the lower branch. The mass ratio between black hole and its host galactic bulge is a nature consequence of ADIOS. Our model also demonstrates that a seed black hole 2 x 10(exp 6) solar masses similar to those found in spiral galaxies today is needed to produce a black hole with a final mass 2 x 10(exp 8) solar masses.

Lu, Ye↗
DOE OSTI2023

Faster-than-real-time Simulation with Demonstration for Resilient DER Integration

The US electric grid is facing operational, stability, and security challenges. Transmission system operators need some measure of visibility into distribution system renewable generation. Distribution system generation needs to support transmission system voltage. The grid is experiencing an expansion in measurement systems. How to take full advantage of this expansion and defend against attacks, both cyber and physical, poses additional challenges. The Faster-than-real-time Simulation with demonstration for Resilient DER Integration project set out to do the following: a. Flatten the voltage profile through the feeders and system for cost saving and voltage stabilization needs. b. Increase the amount of intermittent distributed energy resources (IDERs) that could be deployed on a utility feeder and provide 100% or more energy needed for the demands on that feeder, and c. based on an accurate model (Digital Twin) of the utilities system, be able to detect any abnormalities on the utilities distribution system. To manage the voltage and increase IDER penetration (a,b), Graph Trace Analysis is employed in a time-series, optimal power flow to coordinate the time-varying feedback control setpoints of a distribution feeder’s utility control devices. Under the coordinated control are a Load Tap Changing Transformer, a voltage regulator, and five switched capacitor banks. The feeder serves over 2000 customers, the feeder secondaries are modeled, and the feeder has 2.3 MW of PV generation, corresponding to a 17.4% penetration of PV generation. The feeder model has over 12,000 components, where every customer load bus and PV generator are modeled. The accuracy of the power flow solution is compared against historical meter voltage measurements, the improvement in conservation voltage reduction energy savings as a function of the coordinated control desired voltage profile is investigated, and the increase in PV penetration of the coordinated control over the existing control is presented. To achieve improved control performance while observing system operation constraints, bellwether Advanced Metering Infrastructure (AMI) voltage measurements are used to adjust the desired voltage profile used by the optimal power flow analysis. To detect and alleviate or negate attacks or failures on the distribution and transmission utility grids (c) the grid needs to be resilient and self-healing. In this project software was designed to do just that. At the center of the software is an Integrated System Model (ISM) that spans from transmission to secondary distribution. The ISM is employed in real-time abnormality detection, voltage stability forecasting, and multi-mode control. Testing results are presented for: 1—attacks on utility infrastructure; 2—energy savings from optimal control; 3—distribution system control response during a low voltage transmission system event; 4—cyber-attacks on PV inverters, where physical inverters are used in hard-ware-in-the-simulation-loop studies. Contributions of this work include real-time analysis that spans from three-phase transmission through secondary distribution; an approach for detecting abnormalities that employs measurements from three independent measurement systems; and a multi-mode distribution system control that responds to cyber-attacks, physical attacks, equipment failures, and transmission system needs.

Integrated System Model, Graph Trace Analysis, Adv↗
NASA NTRS1991

Analysis of radiative and phase-change phenomena with application to space-based thermal energy storage

The simplified geometry for the analysis is an infinite, axis symmetric annulus with a specified solar flux at the outer radius. The inner radius is either adiabatic (modeling Flight Experiment conditions), or convective (modeling Solar Dynamic conditions). Liquid LiF either contacts the outer wall (modeling ground based testing), or faces a void gap at the outer wall (modeling possible space based conditions). The analysis is presented in three parts: Part 3 considers and adiabatic inner wall and linearized radiation equations; part 2 adds effects of convection at the inner wall; and part 1 includes the effect of the void gap, as well as previous effects, and develops the radiation model further. The main results are the differences in melting behavior which can occur between ground based 1 g experiments and the microgravity flight experiments. Under 1 gravity, melted PCM will always contact the outer wall having the heat flux source, thus providing conductance from this source to the phase change front. In space based tests where a void gap may likely form during solidification, the situation is reversed; radiation is now the only mode of heat transfer and the majority of melting takes place from the inner wall.

Lund, Kurt O.↗
NASA NTRS1995

The wall of reconnection-driven magnetohydrodynamic turbulence in a large solar flare

LaRosa and Moore (1993) recently proposed that the bulk dissipation of magnetic field that is required for the electron energization in the explosive phase of solar flares occurs in a 'fat current sheet', a wall of cascading magnetohydrodynamic (MHD) turbulence sustained by highly disordered driven reconnection of opposing magnetic fields impacting at a turbulent boundary layer. Here, we use the well-observed great two-ribbon eruptive flare of 1984 April 24/25 to assess the feasibility of both (1) the standard model for the overall three-dimensional form and action of the magnetic field and (2) the turbulent reconnection wall within it. We find (1) that the morphology of this flare closely matched that of the standard model; (2) the preflare sheared core field had enough nonpotential magnetic energy to power the flare; (3) the model turbulent wall required to achieve the flare's peak dissipative power easily fit within the overall span of the flaring magnetic field; (4) this wall was thick enough to have turbulent eddies large enough (diameters approximately 10(exp 8 cm) to produce the approximately ergs energy release fragments typically observed in the explosive phase of flares; (5) the aspect ratio (thickness/vertical extent) of the turbulent reconnection wall was in the 0.1-1 range expected by (Parker 1973). We therefore conclude that the viability of our version of the standard model (i.e., having the magnetic field dissipation occur in our turbulent reconnection wall) is well confirmed by this typical great two-ribbon eruptive flare.

Moore, R. L.↗
DOE OSTI2025

Structured ionized winds shooting out from a quasar at relativistic speeds

Evidence indicates that supermassive black holes (SMBHs) exist at the centres of most galaxies. Their mass correlates with the galactic bulge mass, suggesting a coevolution with their host galaxies, most likely through powerful winds. X-ray observations have detected highly ionized winds outflowing at sub-relativistic speeds from the accretion disks around SMBHs. However, the limited spectral resolution of present X-ray instruments has left the physical structure and location of the winds poorly understood, hindering accurate estimates of their kinetic power. Here, in this study, the first X-Ray Imaging and Spectroscopy Mission (XRISM) observation of the luminous quasar PDS 456 is reported. The high-resolution spectrometer Resolve aboard XRISM enabled the discovery of five discrete velocity components outflowing at 20–30% of the speed of light. This demonstrates that the wind structure is highly inhomogeneous, which probably consists of up to a million clumps. The mass outflow rate is estimated to be 60–300 solar masses per year, with the wind kinetic power exceeding the Eddington luminosity limit. Compared with the galaxy-scale outflows, the kinetic power is more than three orders of magnitude larger, whereas the momentum flux is ten times larger. These estimates disfavour both energy-driven and momentum-driven outflow models. This suggests that such wind activity occurs in less than 10% of the quasar phase and/or that its energy/momentum is not efficiently transferred to the galaxy-scale outflows owing to the clumpiness of the wind and the interstellar medium.

Audard, Marc [Univ. of Geneva, Versoix (Switzerlan↗
DOE OSTI2025

New generation bunch shape monitor for ion accelerators

Measuring longitudinal beam parameters is important for operation and development of high intensity linear accelerators, but it is notoriously difficult for proton and ion beams at non-relativistic energies. The Bunch Shape Monitor (BSM) is a device used for measuring the longitudinal bunch distribution in ion linacs. The existing BSM models have poor electron collection efficiency from the wire and are limited to one-dimensional measurements of the phase coordinate. In response to this problem, we have developed a new generation BSM with improved performance. The proposed design incorporates three major innovations: First, the collection efficiency was improved by adding a focusing field between the wire and the entrance slit, which will also allow measurements over a much wider dynamic range. Second, an improvement in the measurement speed was achieved by sampling longitudinal profiles of multiple energy slices simultaneously, where the BSM wire is placed at the exit of an ion spectrometer so that ions with different energies hit the wire at different horizontal coordinates along the wire. Finally, the design incorporates a motion system that can shift the wire and deflecting cavity together, enabling transverse profile measurements like a wire scanner. Here, in this paper, we will provide the design of the new BSM and report on its beam test results at the Spallation Neutron Source facility in Oak Ridge National Laboratory.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Probing black hole microstate evolution with networks and random walks

We model black hole microstates and quantum tunneling transitions between them with networks and simulate their time evolution using well-established tools in network theory. In particular, we consider two models based on Bena-Warner three-charge multi-centered microstates and one model based on the D1-D5 system; we use network theory methods to determine how many centers (or D1-D5 string strands) we expect to see in a typical late-time state. We find three distinct possible phases in parameter space for the late-time behaviour of these networks, which we call ergodic, trapped, and amplified, depending on the relative importance and connectedness of microstates. We analyze in detail how these different phases of late-time behavior are related to the underlying physics of the black hole microstates. Our results indicate that the expected properties of microstates at late times cannot always be determined simply by entropic arguments; typicality is instead a highly non-trivial, emergent property of the full Hilbert space of microstates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Spectroscopy of dimers.

The method of Stogryn and Hirschfelder, which divides two-particle phase space into bound, metastable, and free particle parts, is applied to the statistical averages which determine the first three spectroscopic moments of 'collision-induced' far-infrared and Raman spectra. Numerical results are presented for a number of models of noble gas systems. It is shown that for some systems, but not all, dimers make important, although not necessarily well-separated, contributions to the spectrum.

Levine, H. B.↗
NASA NTRS1972

Manned space flight nuclear system safety. Volume 3: Reactor system preliminary nuclear safety analysis. Part 2: Accident Model Document (AMD)

The Accident Model Document is one of three documents of the Preliminary Safety Analysis Report (PSAR) - Reactor System as applied to a Space Base Program. Potential terrestrial nuclear hazards involving the zirconium hydride reactor-Brayton power module are identified for all phases of the Space Base program. The accidents/events that give rise to the hazards are defined and abort sequence trees are developed to determine the sequence of events leading to the hazard and the associated probabilities of occurence. Source terms are calculated to determine the magnitude of the hazards. The above data is used in the mission accident analysis to determine the most probable and significant accidents/events in each mission phase. The only significant hazards during the prelaunch and launch ascent phases of the mission are those which arise form criticality accidents. Fission product inventories during this time period were found to be very low due to very limited low power acceptance testing.

Source record↗
NASA NTRS1992

Effects Of Phase Jitter On Lock Detection In QPSK

Report presents study of performances of digital carrier-signal-tracking loops used in reception of radio signals containing quadrature-phase-shift-keyed (QPSK) modulation representing binary non-return-to-zero data. Presents mathematical models of received signal and of noise. Describes lock-detector algorithm and presents equations characterizing lock-detection performance. Equations applied in analyses of three QPSK carrier-tracking loops: Costas crossover loop, maximum a posteriori estimation loop, and generalized Costas loop. Results of computer simulations agree with equations.

Mileant, Alexander↗
NASA NTRS1994

Hydrogen and related materials at high density: Physics, chemistry and planetary implications

Recent studies of low-Z molecular materials including hydrogen to multimegabar pressures (less than 300 GPa) have uncovered a range of phenomena relevant to understanding the nature of the interiors of the outer planets and their satellites. Synchrotron x ray diffraction measurements (to 42 GPa) have been used to determine the crystal structure of the solid (hexagonal-close packed) and equation of state. Sound velocities in fluid and solid hydrogen (to 24 GPa) have been inverted to obtain elastic constants and aggregate bulk and shear moduli. In addition, an improved intermolecular potential has been determined which fits both static and shock-wave data. Use of the new potential for the molecular envelope of Jupiter suggests the need for major revisions of existing Jovian models or a reanalysis of reported free oscillations for the planet. Studies at higher pressures (greater than 100 GPa) reveal a sequence of pressure-induced symmetry-breaking transitions in molecular hydrogen, giving rise to three high-pressure phases (1, 2, and 3). Phase 1 is the rotationally disordered hcp phase which persists from low pressure to well above 100 GPa at high temperature (e.g., 300 K). Phase 2 is a low-temperature, high-pressure phase (transition at 100 GPa and 77 K in H2) with spectral features indicative of partial rotational ordering and crystallographic distortion. The transition to Phase 3 at 150 GPa is accompanied by a weakening of the molecular bond, gradual changes in orientational ordering, strong enhancement of the infrared intramolecular vibrational absorption, and strong intermolecular interactions similar to those of ambient-pressure network solids. Studies of the phase diagram reveal a triple point near 130 K and 160 GPa. Higher pressure measurements of vibrational spectra place a lower bound of approximately 250 GPa on the predicted transition pressure for dissociation of molecular hydrogen to form a monatomic metal.

Hemley, R. J.↗
NASA NTRS1998

Heterogeneity Determination and Purification of Commercial Hen Egg-White Lysozyme

Hen egg-white lysozyme (HEWL) is widely used as a model protein, although its purity has not been adequately characterized by modern biochemical techniques. We have identified and quantified the protein heterogeneities in three commercial HEWL preparations by sodium dodecyl sulfate polyacrylamide gel electrophoresis with enhanced silver staining, reversed-phase fast protein liquid chromatography (FPLC) and immunoblotting with comparison to authentic protein standards. Depending on the source, the contaminating proteins totalled 1-6%(w/w) and consisted of ovotransferrin, ovalbumin, HEWL dimers, and polypeptides with approximate M(sub r) of 39 and 18 kDa. Furthermore, we have obtained gram quantities of electrophoretically homogeneous [> 99.9%(w/w)] HEWL by single-step semi-preparative scale cation-exchange FPLC with a yield of about 50%. Parallel studies of crystal growth kinetics, salt repartitioning and crystal perfection with this highly purified material showed fourfold increases in the growth-step velocities and significant enhancement in the structural homogeneity of HEWL crystals.

Thomas, B. R.↗
NASA NTRS1998

An Object Model for a Rocket Engine Numerical Simulator

Rocket Engine Numerical Simulator (RENS) is a packet of software which numerically simulates the behavior of a rocket engine. Different parameters of the components of an engine is the input to these programs. Depending on these given parameters the programs output the behaviors of those components. These behavioral values are then used to guide the design of or to diagnose a model of a rocket engine "built" by a composition of these programs simulating different components of the engine system. In order to use this software package effectively one needs to have a flexible model of a rocket engine. These programs simulating different components then should be plugged into this modular representation. Our project is to develop an object based model of such an engine system. We are following an iterative and incremental approach in developing the model, as is the standard practice in the area of object oriented design and analysis of softwares. This process involves three stages: object modeling to represent the components and sub-components of a rocket engine, dynamic modeling to capture the temporal and behavioral aspects of the system, and functional modeling to represent the transformational aspects. This article reports on the first phase of our activity under a grant (RENS) from the NASA Lewis Research center. We have utilized Rambaugh's object modeling technique and the tool UML for this purpose. The classes of a rocket engine propulsion system are developed and some of them are presented in this report. The next step, developing a dynamic model for RENS, is also touched upon here. In this paper we will also discuss the advantages of using object-based modeling for developing this type of an integrated simulator over other tools like an expert systems shell or a procedural language, e.g., FORTRAN. Attempts have been made in the past to use such techniques.

Mitra, D.↗
DOE OSTI2026

Design and Characterization of the 162.5 MHz RF Component Layout for Fermilab's PIP-II Reference Line

The Proton Improvement Plan II (PIP-II) Reference Line at Fermi National Accelerator Laboratory distributes phase-stable radio-frequency (RF) signals throughout the accelerator. PIP-II requires stable timing and phase reference signals so its accelerating cavities transfer energy to the particle beam at the correct point in each RF cycle. The full system includes 162.5, 325, and 650 MHz sections corresponding to the frequency sections of the PIP-II Linac, with this project focusing on the 162.5 MHz section. The Reference Line must provide a phase stable source signal while responding to phase changes caused by environmental conditions or system drift. Its RF components will be mounted on aluminum heat plates inside a temperature controlled enclosure to further limit temperature-driven phase changes. To prepare the system for manufacture, the project reviewed component functions and dimensions, developed a computer-aided design (CAD) model, and arranged the hardware to support short cable paths, grounding, fastener access, and maintenance. Several full scale, three dimensional printed prototypes allowed the available components to be mounted and inspected. These fit checks revealed mechanical conflicts and guided revisions to component placement, countersink geometry, labeling, and plate thickness. Electrical characterization was also performed on selected RF hardware to compare its measured behavior with the performance metrics that were set for our design. Overall, the project produced a manufacturable 162.5 MHz layout, physical fit-check prototypes, and documented electrical measurements that support review before metal fabrication. The 325 and 650 MHz layouts remain future work because they require additional minor mechanical changes.

Subedi, Harsheet [Unlisted, US, CA] (ORCID:0009000↗
NASA NTRS2000

A Validation Summary of the NCC Turbulent Reacting/non-reacting Spray Computations

This pper provides a validation summary of the spray computations performed as a part of the NCC (National Combustion Code) development activity. NCC is being developed with the aim of advancing the current prediction tools used in the design of advanced technology combustors based on the multidimensional computational methods. The solution procedure combines the novelty of the application of the scalar Monte Carlo PDF (Probability Density Function) method to the modeling of turbulent spray flames with the ability to perform the computations on unstructured grids with parallel computing. The calculation procedure was applied to predict the flow properties of three different spray cases. One is a nonswirling unconfined reacting spray, the second is a nonswirling unconfined nonreacting spray, and the third is a confined swirl-stabilized spray flame. The comparisons involving both gas-phase and droplet velocities, droplet size distributions, and gas-phase temperatures show reasonable agreement with the available experimental data. The comparisons involve both the results obtained from the use of the Monte Carlo PDF method as well as those obtained from the conventional computational fluid dynamics (CFD) solution. Detailed comparisons in the case of a reacting nonswirling spray clearly highlight the importance of chemistry/turbulence interactions in the modeling of reacting sprays. The results from the PDF and non-PDF methods were found to be markedly different and the PDF solution is closer to the reported experimental data. The PDF computations predict that most of the combustion occurs in a predominantly diffusion-flame environment. However, the non-PDF solution predicts incorrectly that the combustion occurs in a predominantly vaporization-controlled regime. The Monte Carlo temperature distribution shows that the functional form of the PDF for the temperature fluctuations varies substantially from point to point. The results also bring to the fore some of the deficiencies associated with the use of assumed-shape PDF methods in spray computations.

Raju, M. S.↗
NASA NTRS2016

The NuSTAR View of the Non-Thermal Emission from PSR J0437-4715

We present a hard X-ray Nuclear Spectroscopic Telescope Array (NuSTAR) observation of PSR J0437-4715, the nearest millisecond pulsar. The known pulsations at the apparent pulse period approximately 5.76 ms are observed with a significance of 3.7sigma, at energies up to 20 keV above which the NuSTAR background dominates. We measure a photon index gamma = 1.50 +/- 0.25(90 per cent confidence) for the power-law fit to the non-thermal emission. It had been shown that spectral models with two or three thermal components fit the XMM-Newton spectrum of PSR J0437-4715, depending on the slope of the power-law component, and the amount of absorption of soft X-rays. The new constraint on the high-energy emission provided by NuSTAR removes ambiguities regarding the thermal components of the emission below 3 keV. We performed a simultaneous spectral analysis of the XMM-Newton and NuSTAR data to confirm that three thermal components and a power law are required to fit the 0.3-20 keV emission of PSR J0437-4715. Adding a ROSAT-PSPC spectrum further confirmed this result and allowed us to better constrain the temperatures of the three thermal components. A phase resolved analysis of the NuSTAR data revealed no significant change in the photon index of the high-energy emission. This NuSTAR observation provides further impetus for future observations with the NICER mission (Neutron Star Interior Composition Explorer) whose sensitivity will provide much stricter constraints on the equation of state of nuclear matter by combining model fits to the pulsars phase-folded light curve with the pulsars well-defined mass and distance from radio timing observations.

stars; neutro↗
NASA NTRS2020

Acoustic Optimization for Anti-Phase Asymmetric Rotor

This investigation seeks to optimize the implementation of anti-phase alternating trailing edge (TE) patterns for rotor noise suppression. The design objective is to maximize reduction of noise perceived by the community while maintaining the aerodynamic thrust. Computations using a three-dimensional Unsteady-Reynolds-Averaged-Navier-Stokes (URANS) with k-w Shear Stress Transport (SST) turbulence model and Ffowcs-Williams and Hawkings (FW-H) formula are used to obtain aerodynamic thrust and far-field noise level. A parametric acoustic study of 13 configurations of KDE rotor with variable alternating trailing edge period, alternating trailing edge length, and trailing edge deflection angle is conducted. The best design candidate for the KDE rotor has a four-period TE waveform which results in a reduction in far-field noise level of 2.1 dB in the hover condition and a reduction of 1.1 dB in the forward flight condition at 9.7 m/s. A further parametric acoustic study is conducted for a different rotor manufactured by APC. Six APC rotor design candidates are simulated. The best design candidate 4H for the APC rotor results in a reduction in far-field noise level of 4.0 dB in the hover condition and a reduction of 1.3 dB in the forward flight condition at 9.7 m/s. A series of acoustic experiments in the Penn State University (PSU) anechoic chamber have been conducted. In the forward flight condition at 9.7 m/s, the APC anti-phase 4H rotor offers clear evidence of noise suppression capability across a wide range of the azimuthal angle. In the broadband frequency range of 2000-4000 Hz, the APC anti-phase 4H rotor produces as much as 6 dB noise reduction. The experimental results appear to confirm the noise suppression capability of the proposed anti-phase rotor design concepts.

Xiong, Juntao↗