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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Non-Maxwellian distribution functions in flaring coronal loops - Comparison of Landau-Fokker-Planck and BGK solutions

The high-velocity tail of the electron distribution has been calculated by solving the high-velocity form of the Landau equation for a thermal structure representative of a flaring coronal loop. These calculations show an enhancement of the tail population above Maxwellian for electrons moving down the temperature gradient. The results obtained are used to test the reliability of the BGK approximation. The comparison shows that the BGK technique can estimate contributions to the heat flux from the high-energy tail to within an order of magnitude.

Ljepojevic, N. N.↗
NASA NTRS1991

Wolf-Rayet stars of type WN/WC and mixing processes during core helium burning of massive stars

Consequences of the recent finding that most WN/WC spectra probably originate from individual Wolf-Rayet stars for the internal structure of massive stars are discussed. Numerical models including the effect of slow-down or prevention of convective mixing due to molecular weight gradients are presented, in which a transition layer with a composition mixture of H- and He-burning ashes is formed above the convective He-burning core. These models are able to qualitatively account for the observed WN/WC frequency and agree quantitatively with the only WN/WC-composition determination so far. It is argued that the same transition layer may be responsible for the final blue loop which the SN 1987 A progenitor performed some 10,000 yr before explosion. These results indicate that composition barriers may be efficient in restricting convection during central helium burning, in contrast to computations relying on the Schwarzschild criterion for convection, with or without overshooting.

Langer, N.↗
NASA NTRS1992

The structure and development of streamwise vortex arrays embedded in a turbulent boundary layer

The results of an experimental investigation of the structure and development of streamwise vortices embedded in a turbulent boundary layer are presented. Measurements of secondary velocity in the crossplane are used to characterize the vortex array structure. Measurements in the crossplane at two streamwise locations characterize the influence of interactions among the vortices on the array structure when the initial spacing between vortices is varied. Evidence of the merging of counter-rotating cores is found in embedded arrays of closely spaced vortices. A model of vortex interaction and development is constructed from the experimental results. This model is based on the structure of the two dimensional Ossen vortex. The decay of vortex circulation due to the merging of the cores is correlated with the crossplane gradient in streamwise vorticity occurring between an embedded vortex and its adjacent counter-rotating neighbors.

Wendt, Bruce J.↗
NASA NTRS1993

Evidence for two different structuring and scattering mechanisms and the associated role of aerosols in the polar summer mesosphere

A Super Arcas rocket, MISTI B, was launched as part of the Polar Mesospheric Summer Echoes (PMSE) salvo to measure electron density irregularities using rf and dc probes. Large and small scale structures in the electron density were measured on rocket ascent and descent at the altitudes of 86.5 and 88.5 +/- .5 km. Since the rocket apogee was 89 km, the rocket was in the height range 88.5 +/- .5 km for 30 seconds giving us an unusual measurement of horizontal structure over a distance of 5.5 km. A power spectrum of the fluctuations for the upper layer gives further evidence that turbulent mixing is an important process in PMSE. The power spectrum of the lower layer, however, gives evidence that this layer is characterized by a form of partial or Fresnel scattering. Both spectra are in excellent agreement with similar analysis of electron fluctuation spectra measured in the same layers on the TURBO-B rocket flown 12 minutes later and the analysis of Cornell University Portable Radar Interferometer (CUPRI) data by Cho et al., 1993A. Thus two different structuring and scattering mechanisms exist at altitudes only 1 km apart. Using the simultaneous dc and rf probe measurements of electron depletions and sharp gradients in the lower layer, we speculate on the role of aerosols in creating these depletions and gradients.

Ulwick, J. C.↗
NASA NTRS2000

Sensing Clouds via Spacecraft Radio Occultation Observations

The presence of clouds dramatically alters the opacity and radiative transfer within Earth's atmosphere at both short and long wavelengths. Knowledge of cloud top and base is needed to estimate the Outgoing Long wave Radiation (OLR) to space and the net radiation at the surface from a given atmospheric profile. Satellite observations are required to provide the global perspective needed for climate. Cloud top pressure can be determined to some accuracy from spaceborne radiance measurements when cloud opacities are sufficiently large and cloud top temperatures are sufficiently low to readily them from the surface. Cloud base is particularly difficult to determine from space. The relatively small sensitivity of long wavelengths must be used to penetrate the clouds while at the same time providing sufficient sensitivity to detect the cloud base. We are studying the indirect sensitivity of radio occultation observations to clouds through their impact on the refractivity structure. The tradewind inversion is an excellent example where a very sharp refractivity structure coincides with the top of the tradewind cumulus and stratus clouds. In general, any cloud with sufficient IR opacity will have large transmissivity gradient at cloud top (base) which will result in large cooling (heating) which will create a thermal inversion at cloud top (base). Both liquid and ice clouds can reach this critical opacity. The thermal inversion and sharp change in specific humidity will cause a sharp change in the refractivity gradient which can be identified in the radio occultation results, particularly the signal amplitude. The occultations yield very accurate information on the height of such features. The heating at cloud base drives convection causing the air to follow a moist adiabat within the Cloud which further helps constrain the interpretation of the observations. The upward expansion of such opaque clouds due to convection may be an important mechanism supplying moisture into the upper troposphere. We will present simulations using high resolution radiosondes from field campaigns representing the expected signatures of such features. We will also present initial results of comparisons between GPS observations and GOES-derived cloud tops to assess the utility of this concept.

Kursinski, E. R.↗
NASA NTRS2010

Improving Global Mass Flux Solutions from Gravity Recovery and Climate Experiment (GRACE) Through Forward Modeling and Continuous Time Correlation

We describe Earth's mass flux from April 2003 through November 2008 by deriving a time series of mas cons on a global 2deg x 2deg equal-area grid at 10 day intervals. We estimate the mass flux directly from K band range rate (KBRR) data provided by the Gravity Recovery and Climate Experiment (GRACE) mission. Using regularized least squares, we take into account the underlying process dynamics through continuous space and time-correlated constraints. In addition, we place the mascon approach in the context of other filtering techniques, showing its equivalence to anisotropic, nonsymmetric filtering, least squares collocation, and Kalman smoothing. We produce mascon time series from KBRR data that have and have not been corrected (forward modeled) for hydrological processes and fmd that the former produce superior results in oceanic areas by minimizing signal leakage from strong sources on land. By exploiting the structure of the spatiotemporal constraints, we are able to use a much more efficient (in storage and computation) inversion algorithm based upon the conjugate gradient method. This allows us to apply continuous rather than piecewise continuous time-correlated constraints, which we show via global maps and comparisons with ocean-bottom pressure gauges, to produce time series with reduced random variance and full systematic signal. Finally, we present a preferred global model, a hybrid whose oceanic portions are derived using forward modeling of hydrology but whose land portions are not, and thus represent a pure GRACE-derived signal.

Sabaka, T. J.↗
NASA NTRS2018

Sizing and Layout Design of an Aeroelastic Wingbox Through Nested Optimization

The goals of this work are to 1) develop an optimization algorithm that can simultaneously handle a large number of sizing variables and topological layout variables for an aeroelastic wingbox optimization problem and 2) utilize this algorithm to ascertain the benefits of curvilinear wingbox components. The algorithm used here is a nested optimization, where the outer level optimizes the rib and skin stiffener layouts with a surrogate-based optimizer, and the inner level sizes all of the components via gradient-based optimization. Two optimizations are performed: one restricted to straight rib and stiffener components only, the other allowing curved members. A moderate 1.18% structural mass reduction is obtained through the use of curvilinear members.

Stanford, Bret K.↗
NASA NTRSDate not supplied

Advanced Metal Separation (AMS) via Marangoni Effect-driven Separation

For practical, economical, and sustainable human missions to the Moon, processing of lunar regolith and metal oxides is necessary for localized production of oxygen (O2) and metals that can be repurposed as rocket propellant, life support O2, and in-space manufactured parts. The primary candidates for in-situ resource utilization (ISRU) regolith processing are carbothermic reductions and molten regolith electrolysis (MRE) which both produce oxygen and a reduced, deoxygenated metallic slag. A metal separation technique is still required to capture and purify metals from the deoxygenated slag for reuse in areas such as metallic part fabrication, structural or design frameworks, and metal catalyst production. The Marangoni Effect is best explained as mass transfer along an interface driven by surface tension gradients induced by temperature and concentration differences. Due to the temperature gradients, molten metal can be transported in this fashion to create thin films. This method can transport molten metal in the absence of gravity or mechanical motion and greatly increases the available surface area for a vacuum fractional separation process. In this study, a novel vacuum furnace induces the Marangoni Effect to fractionally decompose and separate valuable metals (e.g., aluminum) from thin films of molten metal via vacuum distillation. The proposed work will examine lunar regolith, metal-based recycling feedstocks, and metallic slags produced from the carbothermal reduction of regolith. Data and observations from this study could produce a simple yet effective method of refining lunar derived metals by taking advantage of the high vacuum environment present on the lunar surface.

ISRU↗
NASA NTRS1990

A nonrecursive order N preconditioned conjugate gradient: Range space formulation of MDOF dynamics

While excellent progress has been made in deriving algorithms that are efficient for certain combinations of system topologies and concurrent multiprocessing hardware, several issues must be resolved to incorporate transient simulation in the control design process for large space structures. Specifically, strategies must be developed that are applicable to systems with numerous degrees of freedom. In addition, the algorithms must have a growth potential in that they must also be amenable to implementation on forthcoming parallel system architectures. For mechanical system simulation, this fact implies that algorithms are required that induce parallelism on a fine scale, suitable for the emerging class of highly parallel processors; and transient simulation methods must be automatically load balancing for a wider collection of system topologies and hardware configurations. These problems are addressed by employing a combination range space/preconditioned conjugate gradient formulation of multi-degree-of-freedom dynamics. The method described has several advantages. In a sequential computing environment, the method has the features that: by employing regular ordering of the system connectivity graph, an extremely efficient preconditioner can be derived from the 'range space metric', as opposed to the system coefficient matrix; because of the effectiveness of the preconditioner, preliminary studies indicate that the method can achieve performance rates that depend linearly upon the number of substructures, hence the title 'Order N'; and the method is non-assembling. Furthermore, the approach is promising as a potential parallel processing algorithm in that the method exhibits a fine parallel granularity suitable for a wide collection of combinations of physical system topologies/computer architectures; and the method is easily load balanced among processors, and does not rely upon system topology to induce parallelism.

Kurdila, Andrew J.↗
NASA NTRS1991

Small-scale plasma irregularities in the nightside Venus ionosphere

The individual volt-ampere curves from the Pioneer Venus Orbiter electron temperature probe showed evidence for small-scale density irregularities, or short-period plasma waves, in regions of the nightside ionosphere where the Orbiter electric field detector observed waves in its 100-Hz channel. A survey of the nightside volt-ampere curves has revealed several hundred examples of such irregularities. The I-V structures correspond to plasma density structure with spatial scale sizes in the range of about 100-2000 m, or alternatively they could be viewed as waves having frequencies extending toward 100 Hz. They are often seen as isolated events, with spatial extent along the orbit frequently less than 80 km. The density irregularities or waves occur in or near prominent gradients in the ambient plasma concentrations both at low altitudes where molecular ions are dominant and at higher altitudes in regions of reduced plasma density where O(+) is the major ion. Electric field 100-Hz bursts occur simultaneously, with the majority of the structured I-V curves providing demonstrative evidence that at least some of the E field signals are produced within the ionosphere.

Grebowsky, J. M.↗
DOE OSTI2022

Microfluidic liquid sheets as large-area targets for high repetition XFELs

The high intensity of X-ray free electron lasers (XFELs) can damage solution-phase samples on every scale, ranging from the molecular or electronic structure of a sample to the macroscopic structure of a liquid microjet. By using a large surface area liquid sheet microjet as a sample target instead of a standard cylindrical microjet, the incident X-ray spot size can be increased such that the incident intensity falls below the damage threshold. This capability is becoming particularly important for high repetition rate XFELs, where destroying a target with each pulse would require prohibitively large volumes of sample. We present here a study of microfluidic liquid sheet dimensions as a function of liquid flow rate. Sheet lengths, widths and thickness gradients are shown for three styles of nozzles fabricated from isotropically etched glass. In-vacuum operation and sample recirculation using these nozzles is demonstrated. The effects of intense XFEL pulses on the structure of a liquid sheet are also briefly examined.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

ORNL_AISD_NiPt_108atoms

This dataset describes the nickel-platinum (NiPt) solid solution binary alloy, where the two constituent elements nickel (Ni) and platinum (Pt) are randomly placed on the face centered cubic (FCC) crystal structure, with the lattice constant of 3.840 angstroms. The dataset comprises data for crystal structures with 108 atoms with 1,900 configurations. The data set was generated for concentrations ranging from 0at% of Pt to 100at% of Pt in the NiPt binary system, with increasing the concentration of Pt in the system every 5at%. For each one of the chemical compositions, 100 random configurations were generated, each with a different random seed. Each of the output files contains the mass, type, atomic coordinates, energy per atom, and forces in x, y, and z directions respectively. For each atomic configuration, the output was collected every 150 steps during the minimization stage and every 1000 steps during the replica exchange stage. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [1], which is a molecular dynamics code, was used to generate data for NiPt alloy. The simulation used the interatomic potential for NiPt binary system 'MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001' [3] from the OpenKIM library (Open Knowledgebase of Interatomic Models) [2]. This potential was developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM). The simulation process begins with the generation of the random NiPt structure and follows with the short minimization and replica exchange simulation. The minimization procedure adjusts atomic coordinates and performs energy minimization, which typically leads to a local potential energy minimum. The method used for the minimization was the conjugate gradient algorithm. A short replica exchange (parallel tempering) simulation involves four replicas (ensembles) of a system and follows the minimization stage. Multiple snapshots of the configuration were collected during the minimization and replica exchange stages. NiPt alloy is interesting due to its magnetic and charge transfer properties [4]. The data is provided in a compressed zipped folders atoms108.zip. The zipped folder contains the data structured in the following way: - Ni_ground_state.cfg --> atomic configuration for the pure nickel - Pt_ground_state.cfg --> atomic configuration for the pure platinum - Pt#_filtered --> folders containing atomic configurations for #at% concentration of platinum. The folder contains 100 atomic configurations, each saved in a subfolder - Each subfolder named config* is associated with a specific atomic configuration. Each of these subfolders contains files with .cfg format, corresponding to outputs for each atomic configuration The total number of atomic configurations contained in atoms108.zip is 66,132. This dataset is an extension to the dataset ORNL_AISD_NiPt [5] that has been previously released with crystal structures of 256 atoms, 864 atoms, and 2,048 atoms, with the same methodology for data collection. References [1] https://www.lammps.org/ [2] https://openkim.org/ [3] https://openkim.org/id/MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [4] El-Gendy, Ahmed A. and Hampel, Silke and Büchner, Bernd and Klingeler, Rüdiger, Tuneable magnetic properties of carbon-shielded NiPt-nanoalloys, RSC Adv., volume 6, issue 57, pages 52427-52433, 2016, The Royal Society of Chemistry, doi:10.1039/C6RA05910D [5] M. Karabin, M. Lupo Pasini, and M. Eisenbach. ORNL_AISD_NiPt. United States: N. p., 2023. Web. doi:10.13139/OLCF/1958172.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bottom-Up Simulation, Reconstruction, and Quantification of Macromolecule Sequences from Experimental Polymerizations

Motivated by the canonical sequence–structure–function paradigm, tools to characterize chemical patterning in natural biomacromolecules, from proteins to nucleic acids, have grown exponentially in recent years. However, analogous strategies for synthetic macromolecules remain in nascent stages, complicated by sequence polydispersity and analytical limitations. To address this, we have developed a comprehensive and open-source Python package, PRISM (polymer rate insights and sequence modeling), an end-to-end workflow that provides a path from experimental kinetics measurements to quantitative and qualitative metrics for describing chemical patterning in stochastic polymers. First, a numerical integration strategy was constructed to simulate and fit experimental data from reversible addition–fragmentation chain transfer (RAFT) polymerization kinetics, enabling the facile estimation of relevant reactivity ratios. These ratios were then used in a mechanism-specific stochastic kinetic simulation strategy to simulate sequence ensembles corresponding to model systems spanning experimental copolymers, classes of statistical polymers (e.g., alternating, block, and gradient), and multiblock copolymers. Lastly, inspired by sequence homology metrics from bioinformatics, we introduce visualization strategies and quantitative metrics to facilitate comparisons of different sequence ensembles. As the sequence–structure–function paradigm becomes increasingly central in de novo design of synthetic macromolecules, this toolkit provides a first step toward accurate and representative sequence description and featurization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Field theory and a structure-preserving geometric particle-in-cell algorithm for drift wave instability and turbulence

A field theory and the associated structure-preserving geometric particle-in-cell (PIC) algorithm are developed to study low frequency electrostatic perturbations with fully kinetic ions and adiabatic electrons in magnetized plasmas. The algorithm is constructed by geometrically discretizing the field theory using discrete exterior calculus, high-order Whitney interpolation forms, and non-canonical Hamiltonian splitting method. The discretization preserves the non-canonical symplectic structure of the particle-field system, as well as the electromagnetic gauge symmetry. As a result, the algorithm is charge-conserving and possesses long-term conservation properties. Because drift wave turbulence and anomalous transport intrinsically involve multi time-scales, simulation studies using fully kinetic particles demand algorithms with long-term accuracy and fidelity. The structure-preserving geometric PIC algorithm developed adequately serves this purpose. The algorithm has been implemented in the code, tested and benchmarked using the examples of ion Bernstein waves and drift waves. We apply the algorithm to study the ion temperature gradient (ITG) instability and turbulence in a 2D slab geometry. Simulation results show that at the early stage of the turbulence, the energy diffusion is between the Bohm scaling and gyro-Bohm scaling. Finally, at later time, the observed diffusion is closer to the gyro-Bohm scaling, and density blobs generated by the rupture of unstable modes are the prominent structures of the fully developed ITG turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Nonperturbative test of consistency relations and their violation

In this study, we verify the large scale structure consistency relations using N-body simulations, including modes in the highly nonlinear regime. These relations (pointed out by Kehagias & Riotto and Peloso & Pietroni) follow from the symmetry of the dynamics under a shift of the Newtonian potential by a constant and a linear gradient, and predict the absence of certain poles in the ratio between the (equal time) squeezed bispectrum and power spectrum. The consistency relations, as symmetry statements, are exact, but have not been previously checked beyond the perturbative regime. Our test using N-body simulations not only offers a nonperturbative check, but also serves as a warm-up exercise for applications to observational data. A number of subtleties arise when taking the squeezed limit of the bispectrum—we show how to circumvent or address them. An interesting by-product of our investigation is an explicit demonstration that the linear-gradient symmetry is unaffected by the periodic boundary condition of the simulations. Lastly, we verify using simulations that the consistency relations are violated when the initial conditions are non-Gaussian (of the local f NL type). The methodology developed here paves the way for constraining primordial non-Gaussianity using large scale structure data, including (numerous) highly nonlinear modes that are otherwise hard to interpret and utilize.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Automated Shell Theory for Rotating Structures (ASTROS)

Computer program can be used to analyze any disk or shell of revolution of arbitrary cross section under inertial loads caused by rotation about shell axis and under various static loads, including thermal gradients. Geometric shapes incorporated in program are ellipsoidal, spherical, ogival, toroidal, conical, circular plate, cylindrical, and parabolic.

Foster, B. J.↗
DOE OSTI2023

Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method

A first implementation of analytic gradients for spinor-based relativistic equation-of-motion coupled-cluster singles and doubles method using an exact two-component Hamiltonian augmented with atomic mean-field spin–orbit integrals is reported. To demonstrate its applicability, we present calculations of equilibrium structures and harmonic vibrational frequencies for the electronic ground and excited states of the radium mono-amide molecule (RaNH 2 ) and the radium mono-methoxide molecule (RaOCH 3 ). Spin–orbit coupling is shown to quench Jahn–Teller effects in the first excited state of RaOCH 3 , resulting in a C 3v equilibrium structure. Furthermore, the calculations also show that the radium atoms in these molecules serve as efficient optical cycling centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Note on the Effect of Horizontal Gradients for Nadir-Viewing Microwave and Infrared Sounders

Passive microwave and infrared nadir sounders such as the Advanced Microwave Sounding Unit A (AMSU-A) and the Atmospheric InfraRed Sounder (AIRS), both flying on NASA s EOS Aqua satellite, provide information about vertical temperature and humidity structure that is used in data assimilation systems for numerical weather prediction and climate applications. These instruments scan cross track so that at the satellite swath edges, the satellite zenith angles can reach approx. 60 deg. The emission path through the atmosphere as observed by the satellite is therefore slanted with respect to the satellite footprint s zenith. Although radiative transfer codes currently in use at operational centers use the appropriate satellite zenith angle to compute brightness temperature, the input atmospheric fields are those from the vertical profile above the center of the satellite footprint. If horizontal gradients are present in the atmospheric fields, the use of a vertical atmospheric profile may produce an error. This note attempts to quantify the effects of horizontal gradients on AIRS and AMSU-A channels by computing brightness temperatures with accurate slanted atmospheric profiles. We use slanted temperature, water vapor, and ozone fields from data assimilation systems. We compare the calculated slanted and vertical brightness temperatures with AIRS and AMSU-A observations. We show that the effects of horizontal gradients on these sounders are generally small and below instrument noise. However, there are cases where the effects are greater than the instrument noise and may produce erroneous increments in an assimilation system. The majority of the affected channels have weighting functions that peak in the upper troposphere (water vapor sensitive channels) and above (temperature sensitive channels) and are unlikely t o significantly impact tropospheric numerical weather prediction. However, the errors could be significant for other applications such as stratospheric analysis. Gradients in ozone and tropospheric temperature appear to be well captured by the analyses. In contrast, gradients in upper stratospheric and mesospheric temperature as well as upper tropospheric humidity are less well captured. This is likely due in part to a lack of data to specify these fields accurately in the analyses. Advanced new sounders, like AIRS, may help to better specify these fields in the future.

Joiner, J.↗