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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 325 records · Page 18

OBSERVED VARIABILITY OF THE SOLAR Mg II h SPECTRAL LINE

The Mg ii h and k doublet are two of the primary spectral lines observed by the Sun-pointing Interface Region Imaging Spectrograph (IRIS). These lines are tracers of the magnetic and thermal environment that spans from the photosphere to the upper chromosphere. We use a double-Gaussian model to fit the Mg ii h profile for a full-Sun mosaic data set taken on 2014 August 24. We use the ensemble of high-quality profile fits to conduct a statistical study on the variability of the line profile as it relates the magnetic structure, dynamics, and center-to-limb viewing angle. The average internetwork profile contains a deeply reversed core and is weakly asymmetric at h2. In the internetwork, we find a strong correlation between h3 wavelength and profile asymmetry as well as h1 width and h2 width. The average reversal depth of the h3 core is inversely related to the magnetic field. Plage and sunspots exhibit many profiles that do not contain a reversal. These profiles also occur infrequently in the internetwork. We see indications of magnetically aligned structures in plage and network in statistics associated with the line core, but these structures are not clear or extended in the internetwork. The center-to-limb variations are compared to predictions of semi-empirical model atmospheres. We measure a pronounced limb darkening in the line core that is not predicted by the model. The aim of this work is to provide a comprehensive measurement baseline and preliminary analysis on the observed structure and formation of the Mg ii profiles observed by IRIS.

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamic Forces in Spur Gears - Measurement, Prediction, and Code Validation

Measured and computed values for dynamic loads in spur gears were compared to validate a new version of the NASA gear dynamics code DANST-PC. Strain gage data from six gear sets with different tooth profiles were processed to determine the dynamic forces acting between the gear teeth. Results demonstrate that the analysis code successfully simulates the dynamic behavior of the gears. Differences between analysis and experiment were less than 10 percent under most conditions.

Oswald, Fred B.↗

The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of the simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.

biomembranes↗

The dynamics of rich clusters of galaxies. II - The Perseus cluster

The dynamics of the Perseus cluster are analyzed using self-consistent equilibrium analytical models. Using existing data in the literature plus new radial velocities reported here, composite surface density and velocity dispersion profiles are derived. These profiles have been compared with dynamical models described by Kent and Gunn (1982). The best fit suggest the presence of a significant degree of anisotropy in the velocity distribution: galaxy orbits are constrained to pass within a radius of seven cluster radii, or 1.3 deg of the cluster center. For Hubble constant = 50, a core radius of 340 kpc 11 arcmin and a mass to visual light ratio M/L = 300 are found. Using these results, X-ray observations of the intracluster medium in Perseus are reanalyzed. A previously noted discrepancy between the observed temperature of the hot gas and the cluster velocity dispersion is reduced but not eliminated. A cooling accretion flow previously deduced to exist in this cluster is shown to extend to only about one-third of the cluster radius.

Kent, S. M.↗

Trajectory optimization and guidance law development for national aerospace plane applications

The problem of onboard trajectory optimization for an airbreathing, single-stage-to-orbit vehicle is examined. A simple model representative of the aerospace plane concept, including a dual-mode propulsion system composed of scramjet and rocket engines, is presented. Consideration is restricted to hypersonic flight within the atmosphere. An energy state approximation is used in a four-state model for flight of a point mass in a vertical plane. Trajectory constraints, including those of dynamic pressure and aerodynamic heating, are initially ignored. Singular perturbation methods are applied in solving the optimal control problem of minimum fuel climb. The resulting reduced solution for the energy state dynamics provides an optimal altitude profile dependent on energy level and control for rocket thrust. A boundary-layer analysis produces an approximate lift control solution in feedback form and accounts for altitude and flight path angle dynamics. The reduced solution optimal climb path is presented for the unconstrained case and the case for which a maximum dynamic pressure constraint is enforced.

Calise, A. J.↗

Niowave Neutron Source Converter: Lead-Bismuth-Eutectic (LBE) Windowless Target Design and Evaluation

Los Alamos National Laboratory (LANL) is working with Niowave on the design and evaluation of their lead-bismuth-eutectic (LBE) windowless target (i.e., neutron source converter). Niowave plans to use 200 kW electron beam at 40 MeV beam energy to produce neutrons by photonuclear reaction with LBE. Then, the neutrons undergo fission at the surrounding uranium target assembly (UTA) to produce Molybdenum 99 (Mo-99) as a fission product, which eventually decays to Technetium-99 (Tc-99m). Tc-99m is one of important radioisotopes that is used for medical diagnostics. LANL conducted 3D multiphysics analysis for the Niowave neutron converter design and provided design assessment in thermohydraulic aspects. LANL conducted radiation transport calculations using Monte-Carlo N-Particle (MCNP) code with unstructured meshing scheme. The 3D volumetric heating profiles in the LBE and Stainless-Steel (SS) housing were imported into multiphase computational fluid dynamics (CFD) to obtain 3D temperature profiles of LBE and SS through conjugate heat transfer (CHT) analysis. The key findings are: LBE film thickness at the center of the beam is approximately 1.6 cm with a maximum LBE velocity of approximately 1.8 m/s, which is below a 2 m/s limit to avoid erosion issues on supporting structures; Heat deposition in the LBE peaks at ~1 cm depth from the LBE free-surface because of the forward interactions of electron, photon, and neutron with LBE; LBE maximum temperature is ~360 °C, which is below LBE evaporation initiative temperature, ~450 °C; LBE-SS interface temperature is ~350 °C, which is below the safety thermal limit to prevent severe corrosion on SS. The results indicate that Niowave’s neutron converter design satisfies both hydraulic and thermal criteria for safe operation. By virtue of such computational analysis, Niowave can move toward establishing an experimental setup to experimentally test their LBE neutron converter. The following sections describe the detailed work done by LANL.

43 PARTICLE ACCELERATORS↗

An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics

We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the free energy with respect to the reaction coordinate, is estimated using density functional theory (DFT) in the present approach, which is expected to provide an accurate free energy profile along the reaction coordinate. We apply this new method, first-principles LogMFD (FP-LogMFD), to a glycine dipeptide molecule and reconstruct one- and two-dimensional free energy profiles in the framework of DFT. The resultant free energy profile is compared with that obtained by the thermodynamic integration method and by the previous LogMFD calculation using an empirical force-field, showing that FP-LogMFD is a promising method to calculate free energy without empirical force-fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transmitted wave measurements in cold sprayed materials under dynamic compression

Spray-formed materials have complex microstructures which pose challenges for microscale and mesoscale modeling. To constrain these models, experimental measurements of wave profiles when subjecting the material to dynamic compression are necessary. The use of a gas gun to launch a shock into a material is a traditional method to understand wave propagation and provide information of time-dependent stress variations due to complex microstructures. This data contains information on wave reverberations within a material and provides a boundary condition for simulation. Here we present measurements of the wavespeed and wave profile at the rear surface of tantalum, niobium, and a tantalum/niobium blend subjected to plate impact. Measurements of the Hugoniot elastic limit are compared to previous work and wavespeeds are compared to longitudinal sound velocity measurements to examine wave damping due to the porous microstructure.

36 MATERIALS SCIENCE↗

Investigation of Needle Motion Profile Effect on Diesel Spray in Near-Nozzle Field

A variety of needle-motion profiles are used in diesel injectors. However, it is unclear what the underlying mechanism is to determine the needle-motion profiles and how they affect the spray dynamics. It has been of significant interest to examine how the spray dynamics will change if only altering the needle valve opening speed or closing speed while all other parameters are kept the same. The different needle-motion profiles were obtained using a piezo nozzle (Nozzle #P) and a solenoid nozzle (Nozzle #S), which have identical nozzle geometry. By utilizing the X-ray imaging technique, it was observed that the average needle valve speed of Nozzle #P was 51% higher at the opening stage but 17% lower at the closing stage than Nozzle #S. When the needle valve lift is low (approximately 200 μm), the needle valve opening speed has a crucial effect on spray dynamics. The faster needle valve opening of Nozzle #P results in a 42% larger spray spreading angle and 34% lower spray velocity at the downstream field. The spray dynamics may be controllable by properly designing the needle-motion profiles in the scenarios of the low needle lifts. However, when the needle valve is sufficiently open (approximately over 200 μm), almost identical spray characteristics were observed regardless of the needle-motion profiles.

47 OTHER INSTRUMENTATION↗

Structural dynamics of N-ethylpropionamide clusters examined by nonlinear infrared spectroscopy

In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH{sub 3}CN, CHCl{sub 3}, and CCl{sub 4}), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics of NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Intra- and intermolecular effects on the Compton profile of the ionic liquid 1,3-dimethylimidazolium chloride

We present a comprehensive simulation study on the solid-liquid phase transition of the ionic liquid 1,3-dimethylimidazolium chloride in terms of the changes in the atomic structure and their effect on the Compton profile. The structures were obtained by using ab initio molecular dynamics simulations. Chosen radial distribution functions of the liquid structure are presented and found generally to be in good agreement with previous ab initio molecular dynamics and neutron scattering studies. The main contributions to the predicted difference Compton profile are found to arise from intermolecular changes in the phase transition. This prediction can be used for interpreting future experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impulsive H-alpha diagnostics of electron-beam-heated solar flare model chromospheres

Time-dependent H-alpha profiles were computed for the dynamic model atmospheres of Fisher, Canfield, and McClymont (1985) simulating the effects of an intense impulsively initiated power-law beam of electrons incident on the chromosphere. The temporal response of H-alpha arises from three separate physical mechanisms, whose relative importance varies over the line profile. The fastest variations (typically less than 0.1 s for the explosive heating discussed here) arise from energy imbalance; these are apparent on chromospheric heating and cooling time scales and have their greatest amplitude at line center. Slower variations arise from ionization imbalance and are most apparent in the blue wing. The slowest variations arise from hydrodynamic effects and are related to the formation of a chromospheric condensation; these are most apparent in the red wing. These results provide a basis for the design and analysis of observations of H-alpha, in coordination with hard X-rays or microwaves, to test mechanisms of energy transport in solar flares.

Canfield, Richard C.↗

Tonoplast Sucrose Transporter SUT4-Dependent Sugar Partitioning Modulates Phenological Transitions and Reproductive Success in Poplar

Climate uncertainty is intensifying the need for greater plasticity in carbohydrate reserve utilization to support winter survival and spring growth in woody perennials. In poplar, the single-copy SUT4, which encodes a tonoplast-localized sucrose transporter, and the SUT5/SUT6 genome duplicates, which encode plasma membrane-localized transporters, are expressed year-round, with SUT4 showing the highest expression during cool seasons. Given its role in vacuolar sucrose efflux and winter-predominant expression, SUT4 may play a key role in modulating seasonal carbohydrate dynamics. While SUT4-knockdown and knockout effects have been studied under greenhouse conditions, their impact under field conditions remains unexplored. Here, we report a field-based study comparing CRISPR knockout mutants of winter-expressed SUT4 and SUT5/SUT6 in Populus tremula x alba. We show that sut4, but not sut5/6, mutants exhibited earlier autumn leaf senescence, delayed spring bud flush, reduced stem growth, and altered sugar partitioning in winter xylem and bark relative to controls. After 2 years in the field, all genotypes flowered before leaf flush in early spring; however, sut4 mutants produced sterile ovules despite developing normal-looking catkins. Metabolic profiling revealed disrupted sucrose and raffinose dynamics in elongating sut4 catkins. This was accompanied by transcriptomic signatures of elevated stress and downregulation of proanthocyanidin biosynthesis and circadian clock genes. These findings highlight the critical role of SUT4 in coordinating sugar allocation, stress responses, and seasonal development in poplar.

09 BIOMASS FUELS↗

Dynamic analysis of spur gears using computer program DANST

DANST is a computer program for static and dynamic analysis of spur gear systems. The program can be used for parametric studies to predict the effect on dynamic load and tooth bending stress of spur gears due to operating speed, torque, stiffness, damping, inertia, and tooth profile. DANST performs geometric modeling and dynamic analysis for low- or high-contact-ratio spur gears. DANST can simulate gear systems with contact ratio ranging from one to three. It was designed to be easy to use, and it is extensively documented by comments in the source code. This report describes the installation and use of DANST. It covers input data requirements and presents examples. The report also compares DANST predictions for gear tooth loads and bending stress to experimental and finite element results.

Oswald, Fred B.↗

Dynamic analysis of spur gears using computer program DANST

DANST is a computer program for static and dynamic analysis of spur gear systems. The program can be used for parametric studies to predict the effect on dynamic load and tooth bending stress of spur gears due to operating speed, torque, stiffness, damping, inertia, and tooth profile. DANST performs geometric modeling and dynamic analysis for low- or high-contact-ratio spur gears. DANST can simulate gear systems with contact ratio ranging from one to three. It was designed to be easy to use, and it is extensively documented by comments in the source code. This report describes the installation and use of DANST. It covers input data requirements and presents examples. The report also compares DANST predictions for gear tooth loads and bending stress to experimental and finite element results.

Oswald, Fred B.↗

Venus lower thermosphere studies

Studies undertaken in this project have sought to understand lower thermospheric structure and dynamics (less than or equal to 145 km), particularly the processes responsible. This is a region just below the reach of in-situ instruments onboard PVO (Pioneer Venus Orbiter) during the first few diurnal cycles. PVO remote airglow observations (nitric oxide, O2, visible, O 1304A) have been coupled with ground-based observations (CO densities, winds, temperatures, O2 IR nightglow) to address the behavior of lower thermospheric winds and chemistry over 95 to 150 km. This interpretation of PVO and related data is accomplished by using the NCAR Venus thermospheric general circulation model (VTGCM) (Bougher et al., 1988; 1990). This model has been modified over the last two years to improve its ability to calculate O, CO, and O2 densities, temperatures, nightglow, and subsolar-to-antisolar and zonal winds over 95 to 150 km (Bougher and Borucki, 1992). Our VTGCM studies show that: (1) O2 visible and IR nightglow distributions can be used to trace lower thermosphere / upper mesosphere winds over 100-130 km. Typically, weak zonal winds (less than or equal to 25 m/sec) and nightglow maximum patches near 0100 LT prevail. Occasionally, strong zonal winds (30-60 m/sec) and airglow patches peaking near 0300 LT characterize the Venus lower thermosphere. (2) It is clear that the dynamics of the Venus 90-130 km region is highly variable on time scales as short as an hour. This is most likely due to the time variable nature of upward propagating gravity waves, which grow in amplitude and eventually break. The resulting turbulence gives rise to local time variable eddy diffusion and momentum drag, both of which strongly impact global density and nightglow distributions. (3) The oxygen chemistry (O, O2, etc.) over 90-120 km is strongly dependent on HO(x) and CLO(x) tracer species that must be properly included in any coupled chemical dynamical model. (4) The density profiles of light species (O, CO, N, He) are strongly affected by large-scale transport by the winds. Strong eddy diffusion is not a suitable model parameterization for approximating these light species, especially for extrapolation into the region below 140 km where PVO in-situ data is lacking. Instead, the fully coupled chemical dynamical VTGCM model should be used to improve estimates of densities within the VTS3 empirical model (Hedin et al., 1983) below 140 km.

Bougher, Stephen W.↗

Real-Time Lifetime Prediction of Semiconductor Devices Using Hardware-in-the-Loop

This paper presents a unique approach to enable real-time lifespan prediction of semiconductor power modules using a Hardware-in-the-Loop (HIL) system. By integrating the module's overall loss characteristics-specifically switching and conduction losses-with a thermoelectric model of the thermal management system, this research demonstrates that the model can dynamically estimates the junction temperature profile of the semiconductor devices in response to a changing torque demand profile for the motor drive system. This capability enables continuous monitoring of the module's operational time and cumulative stress induced on the devices to compute accumulated remaining lifetime or time-to-failure (TTF). This study provides an architectural framework for the HIL system with high-fidelity component models of multiple physical domains, allowing simulation of dynamic behaviors of a closely-coupled motor drive system. The advanced real-time computation and measurement functionalities of the HIL system allow for both dynamic lifetime calculations based on simulated data and aggregate lifetime predictions utilizing historical data. Moreover, this paper details an algorithm that not only computes cumulative damage but also synthesizes these data into a comprehensive aggregated lifetime metric. This methodology can enhance the maintenance scheduling strategies and operational reliability of semiconductor devices in critical applications, ultimately extending their service life while optimizing performance.

hardware-in-the-loop (HIL)↗