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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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NASA NTRS1989

Modeling of surface roughness effects on glaze ice accretion

The cause and effects of roughness on accreting glaze ice surfaces were studied with microvideo observations. Distinct zones of surface water behavior were observed, including a smooth wet zone in the stagnation region with a uniform water film, a rough zone where surface tension effects caused coalescence of surface water into stationary beads, and a zone where roughness elements grow into horn shapes. In addition, a zone where surface water ran back as rivulets and a dry zone where rime feathers formed were observed. The locations and behaviors of these zones are discussed. A simple multizone modification to the glaze ice accretion model is proposed to include spatial variability in surface roughness. Two test cases using the multizone model showed significant improvements for the prediction of glaze ice shapes.

Hansman, R. John, Jr.↗

NASA NTRS1991

Property and microstructural nonuniformity in the yttrium-barium-copper-oxide superconductor determined from electrical, magnetic, and ultrasonic measurements

The purpose of this dissertation was the following: (1) to characterize the effect of pore fraction on a comprehensive set of electrical and magnetic properties for the yttrium-barium-copper-oxide (YBCO) high temperature ceramic superconductor; and (2) to determine the viability of using a room-temperature, nondestructive characterization method to aid in the prediction of superconducting (cryogenic) properties. The latter involved correlating ultrasonic velocity measurements at room temperature with property-affecting pore fraction and oxygen content variations. The use of ultrasonic velocity for estimating pore fraction in YBCO is presented, and other polycrystalline materials are reviewed, modeled, and statistically analyzed. This provides the basis for using ultrasonic velocity to interrogate microstructure. The effect of pore fraction (0.10-0.25) on superconductor properties of YBCO samples was characterized. Spatial (within-sample) variations in microstructure and superconductor properties were investigated, and the effect of oxygen content on elastic behavior was examined. Experimental methods used included a.c. susceptibility, electrical, and ultrasonic velocity measurements. Superconductor properties measured included transition temperature, magnetic transition width, transport and magnetic critical current density, magnetic shielding, a.c. loss, and sharpness of the voltage-current characteristics. An ultrasonic velocity image constructed from measurements at 1mm increments across a YBCO sample revealed microstructural variations that correlated with variations in magnetic shielding and a.c. loss behavior. Destructive examination using quantitative image analysis revealed pore fraction to be the varying microstructural feature.

Roth, Don J.↗

NASA NTRS1993

Observations of deformation and mixing of the total ozone field in the Antarctic polar vortex

Total Ozone Mapping Spectrometer (TOMS) images of the springtime Southern Hemisphere commonly show concentric layers in the total ozone field outside the Antarctic polar vortex. The layering appears to result from horizontal folding and stretching of regions on the equatorward flank of the polar vortex near the midlatitude ozone maximum. This folding and stretching interleaves low and high ozone air from the subtropics and midlatitudes, respectively. Occaisional large amplitude wave events can extract very low ozone air from the interior of the polar vortex (the Antarctic ozone hole), but the folding and stretching occurs in midlatitiudes even when wave amplitudes are not exceptionally large. The folding and stretching results in relatively rapid horizontal mixing of the atmosphere on the equatorward flank of the jet. This type of Lagrangian behavior may be common in the atmosphere, but is visible when local tracer gradients are large and observations with high spatial resolution are available. Also, experimentation has shown that gray-scale images of TOMS data show the details of the spatial distribution of ozone much more clearly than contour maps or false-color images.

Bowman, Kenneth P.↗

NASA NTRS2000

SUMI: The Solar Ultraviolet Magnetograph Investigation

A major focus of solar physics is the measurement of the temporal and spatial variability of solar magnetic fields from the photosphere into the lower corona, together with the study of how their behavior produces the dynamic phenomena in this region such as flares and Coronal Mass Injection (CMEs). Considerable success has been achieved in the characterization of the full vector field in the photosphere, where P, the ratio of the gas pressure to the magnetic pressure, is greater than or equal to 1. At higher levels in the atmosphere where beta is less than 1, the magnetic field (through the Lorentz force) controls the structure and dynamics of the solar atmosphere, and rapid changes in structure with release of energy become possible. However, observations of the field at these higher levels have proven to be difficult, placing a serious limitation on our understanding of the physical processes occurring there. This poster will discuss the Solar Ultraviolet Magnetograph Investigation (SUMI), a hardware development study for an instrument capable of measuring the polarization in ultraviolet lines of C IV and Mg II formed in the transition region and upper chromosphere. We are currently developing optical technologies necessary to build an instrument that will achieve a major advance in performance over that of earlier attempts (e.g., SMM/UVSP). Initially configured as a sounding rocket payload, such a UV magnetograph would allow us to make exploratory measurements extending the observation of solar magnetic fields into new and dynamic regimes. This work is supported by NASA through the SEC Program in Solar Physics and the program for Technology Development for Explorer Missions and Sofia.

Davis, John M.↗

NASA NTRS2000

Size-Selective Concentration of Chondrules and Other Small Particles in Protoplanetary Nebula Turbulence

Size-selective concentration of particles in a weakly turbulent protoplanetary nebula may be responsible for the initial collection of chondrules and other constituents into primitive bodY precursors. This paper presents the main elements of this process of turbulent concentration. In the terrestrial planet region. both the characteristic size and size distribution of chondrules are explained. "Fluffier" particles would be concentrated in nebula regions which were at a lower density and/or more intensely turbulent. The spatial distribution of concentrated particle density obeys multifractal scaling, suggesting a close tie to the turbulent cascade process. This scaling behavior allows predictions of the probability distributions for concentration in the protoplanetary nebula to be made. Large concentration factors (less than 10(exp 5)) are readily obtained, implying that numerous zones of particle density significantly exceeding the gas density could exist. If most of the available solids were actually in chondrule sized particles, the ensuing particle mass density would become so large that the feedback effects on gas turbulence due to mass loading could no longer be neglected. This paper describes the process, presenting its basic elements and some implications, without including the effects of mass loading.

Cuzzi, Jeffrey N.↗

NASA NTRS1999

Turbulent Concentration of Chondrules: Size Distribution and Multifractal Scaling

Size-selective concentration of particles in 3D turbulence may be related to collection of chondrules and other constituents into primitive bodies in a weakly turbulent protoplanetary nebula. In the terrestrial planet region, both the characteristic size and narrow size distribution of chondrules are explained, whereas "fluffier" particles would be concentrated in lower density, or more intensely turbulent, regions of the nebula. The spatial distribution of concentrated particle density obeys multifractal scaling, suggesting a dose tie to the turbulent cascade process. This scaling behavior allows predictions of the concentration probabilities to be made in the protoplanetary nebula, which are so large (> 10(exp 3) - 10(exp 4)) that further studies must be made of the role of mass loading.

Cuzzi, Jeffrey N.↗

NASA NTRS2007

Estimation of Forest Fuel Load from Radar Remote Sensing

Understanding fire behavior characteristics and planning for fire management require maps showing the distribution of wildfire fuel loads at medium to fine spatial resolution across large landscapes. Radar sensors from airborne or spaceborne platforms have the potential of providing quantitative information about the forest structure and biomass components that can be readily translated to meaningful fuel load estimates for fire management. In this paper, we used multifrequency polarimetric synthetic aperture radar imagery acquired over a large area of the Yellowstone National Park (YNP) by the AIRSAR sensor, to estimate the distribution of forest biomass and canopy fuel loads. Semi-empirical algorithms were developed to estimate crown and stem biomass and three major fuel load parameters, canopy fuel weight, canopy bulk density, and foliage moisture content. These estimates when compared directly to measurements made at plot and stand levels, provided more than 70% accuracy, and when partitioned into fuel load classes, provided more than 85% accuracy. Specifically, the radar generated fuel parameters were in good agreement with the field-based fuel measurements, resulting in coefficients of determination of R(sup 2) = 85 for the canopy fuel weight, R(sup 2)=.84 for canopy bulk density and R(sup 2) = 0.78 for the foliage biomass.

Saatchi, Sassan↗

NASA NTRS2022

A SUBLIME 3D Model for Cometary Coma Emission: The Hypervolatile-rich Comet C/2016 R2 (PanSTARRS)

The coma of comet C/2016 R2 (PanSTARRS) is one of the most chemically peculiar ever observed, in particular due to its extremely high CO/H2O and N(+2)/H2O ratios, and unusual trace volatile abundances. However, the complex shape of its CO emission lines, as well as uncertainties in the coma structure and excitation, has lead to ambiguities in the total CO production rate. We performed high-resolution, spatially, spectrally, and temporally resolved CO observations using the James Clerk Maxwell Telescope and Submillimeter Array to elucidate the outgassing behavior of C/2016 R2. Results are analyzed using a new, time-dependent, three-dimensional radiative transfer code (SUBlimating gases in LIME; SUBLIME, based on the open-source version of the LIne Modeling Engine), incorporating for the first time, accurate state-to-state collisional rate coefficients for the CO–CO system. The total CO production rate was found to be in the range of (3.8 − 7.6) × 10^(28) per s between 2018 January 13 and February 1 (at r(H) = 2.8–2.9 au), with a mean value of (5.3 ± 0.6) × 10^(28) per s. The emission is concentrated in a near-sunward jet, with a half-opening angle of ∼62° and an outflow velocity of 0.51 ± 0.01 km/s, compared to 0.25 ± 0.01 km/s in the ambient (and nightside) coma. Evidence was also found for an extended source of CO emission, possibly due to icy grain sublimation around 1.2 × 10^(5) km from the nucleus. Based on the coma molecular abundances, we propose that the nucleus ices of C/2016 R2 can be divided into a rapidly sublimating apolar phase, rich in CO, CO2, N2, and CH3OH, and a predominantly frozen (or less abundant), polar phase containing more H2O, CH4, H2CO, and HCN.

Martin Andrew Cordiner↗

DOE OSTI2023

Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation

We present a case study of catalytic propane dehydrogenation with our open-source multiphysics solver, Mesoflow. The solver was developed to simulate reactive flow coupled to heterogeneous catalytic reactions and deactivation in the context of complex, mesoscale geometry. The method leverages cartesian block-structured adaptive mesh refinement to capture realistic catalyst microstructural features acquired directly from X-ray computed tomography data. A kinetic model for propane dehydrogenation and catalyst deactivation was developed based on temporal analysis of products (TAP) reactor experiments. The TAP reactor experiments allow for precise characterization of intrinsic kinetic reaction steps which are implemented into Mesoflow simulations to model the spatial and temporal evolution of reactants, products, and catalyst active sites. The short-term and long-term deactivation behavior is studied by using XCT data collected from fresh and aged catalyst pellets, which exhibit different microstructural features. This study employs time-splitting algorithms to connect disparate reaction and flow timescales, enabling the simulations to achieve realistic deactivation timescales on the order of minutes while the flow time-scales for small particles (100 microns) are several milliseconds. We also introduce a flexible automated python script that writes the necessary files to construct a Mesoflow simulation from user-created chemical mechanisms. We will also introduce a few new features that are added to Mesoflow such as higher order schemes, implicit chemistry integrators and the ability to run on AMD and NVIDIA graphics-processing-units.

AMReX↗

DOE OSTI2024

Gas-Phase Coordination of Phosphine-Chalcogenides to the Uranyl Cation

It is generally believed that actinides exhibit an increased covalency in bonding to soft-donor atoms such as nitrogen and sulfur compared to the lanthanides. The explanation is that the greater spatial extent of the 5f orbitals in the actinides compared to the 4f orbitals in the lanthanides accounts for this behavior. However, recent computational studies on lanthanide and actinide complexes with sulfur-donor atom ligands suggest that while calculated metrics of bond covalency could increase for actinide complexes with sulfur ligands, the overall stability of the complexes decreased. While many studies of actinide covalency were conducted in the condensed phases, this work investigates the intrinsic interaction between actinides and soft-donor ligands compared with oxygen in the gas phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Gas-Phase Coordination of Phosphine-Chalcogenides to the Uranyl Cation

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

A model for the selective amplification of spatially coherent waves in a centrifugal compressor on the verge of rotating stall

A simple model for the stability zones of a low speed centrifugal compressor is developed, with the goal of understanding the driving mechanism for the changes in stalling behavior predicted for, and observed in, the Purdue Low Speed Centrifugal Research Compressor Facility. To this end, earlier analyses of rotating stall suppression in centrifugal compressors are presented in a reduced form that preserves the essential parameters of the model that affect the stalling behavior of the compressor. The model is then used to illuminate the relationship between compressor geometry, expected mode shape, and regions of amplification for weak waves which are indicative of the susceptibility of the system to rotating stall. The results demonstrate that increasing the stagger angle of the diffuser vanes, and consequently the diffusion path length, results in the compressor moving towards a condition where higher-order spatial modes are excited during stall initiation. Similarly, flow acceleration in the diffuser section caused by an increase in the number of diffuser vanes also results in the excitation of higher modes.

Lawless, Patrick B.↗

DOE OSTI2025

Online thermal profile prediction for large format additive manufacturing: A hybrid CNN-LSTM based approach

Large format additive manufacturing (LFAM) is an advanced 3D printing technique that efficiently fabricates large-scale components through a layer-by-layer extrusion and deposition process. Accurate surface layer temperature monitoring is essential to prevent manufacturing failures and ensure final product quality. Traditional physics-based offline approaches for simulating thermal behavior are often inefficient and complex, posing challenges on real-time, in-situ monitoring. Here, to address this, we propose a data-driven hybrid CNN-LSTM model to predict sequential thermal images of arbitrary length using real-time infrared thermal imaging. In this approach, a Convolutional Neural Networks (CNN) is trained offline to capture spatial features, reduce dimensional complexity, and enhance time efficiency, while a stacked Long Short-Term Memory (LSTM) is applied online to capture temporal information for improved prediction of future thermal behavior in subsequent printing layers. Model performance is evaluated using MSE, SSIM, and PSNR metrics and is benchmarked against stacked LSTM and convolutional LSTM models, demonstrating superior accuracy and applicability. Additionally, to mitigate noise from moving extruders and gantry backgrounds in thermal images, a fine-tuned semantic segmentation model is implemented offline to extract printing geometry, enabling precise temperature tracking along the tool path for further thermal analysis. The frameworks developed in this study significantly advance temperature monitoring, thermal analysis, and in-situ manufacturing control for LFAM, bridging the gap between theoretical modeling and practical application.

Geometry extraction↗

DOE OSTI2024

When do waves drive plasma flows?

Flows and rotation, particularly E×B rotation, are critical to improving plasma performance, and waves are a primary tool of plasma control. Thus, it is paramount to understand under what conditions waves can drive E×B flows in plasmas. In this didactic review, an invited paper accompanying the 2023 Marshall N. Rosenbluth Doctoral Thesis Award, this question is answered in the context of momentum-conserving quasilinear theory. There are two primary frameworks for momentum-conserving quasilinear theories that can handle both resonant and nonresonant particles: Eulerian averaging theories and oscillation-center Hamiltonian theories. There are also two different paradigmatic wave problems: plane-wave initial value problems, and steady-state boundary value problems. Here, it is shown that each of these frameworks “naturally” works better with a different problem type. By using these theories, one finds a great difference in the behavior of time- vs space-dependent waves. A time-evolving plane wave can only drive flow if the electromagnetic momentum of the wave, given by the Poynting flux, changes. This result precludes flow drive by any planar electrostatic wave. In contrast, a steady-state spatially evolving wave can drive flow whenever there is divergence in the flux of Minkowski momentum, a completely different physical quantity. This review aims to provide a high-level, intuitive understanding of the very different behaviors observed for these two types of problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Scaling neural simulations in STACS

Abstract As modern neuroscience tools acquire more details about the brain, the need to move towards biological-scale neural simulations continues to grow. However, effective simulations at scale remain a challenge. Beyond just the tooling required to enable parallel execution, there is also the unique structure of the synaptic interconnectivity, which is globally sparse but has relatively high connection density and non-local interactions per neuron. There are also various practicalities to consider in high performance computing applications, such as the need for serializing neural networks to support potentially long-running simulations that require checkpoint-restart. Although acceleration on neuromorphic hardware is also a possibility, development in this space can be difficult as hardware support tends to vary between platforms and software support for larger scale models also tends to be limited. In this paper, we focus our attention on Simulation Tool for Asynchronous Cortical Streams (STACS), a spiking neural network simulator that leverages the Charm++ parallel programming framework, with the goal of supporting biological-scale simulations as well as interoperability between platforms. Central to these goals is the implementation of scalable data structures suitable for efficiently distributing a network across parallel partitions. Here, we discuss a straightforward extension of a parallel data format with a history of use in graph partitioners, which also serves as a portable intermediate representation for different neuromorphic backends. We perform scaling studies on the Summit supercomputer, examining the capabilities of STACS in terms of network build and storage, partitioning, and execution. We highlight how a suitably partitioned, spatially dependent synaptic structure introduces a communication workload well-suited to the multicast communication supported by Charm++. We evaluate the strong and weak scaling behavior for networks on the order of millions of neurons and billions of synapses, and show that STACS achieves competitive levels of parallel efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Spatially resolved nanostructural analysis of disordered phases in carbonated alkali-activated slag

Alkali-activated slag (AAS) is a promising low-CO 2 alternative cement consisting of several disordered phases of similar composition. Although their local atomic arrangements are known to influence macroscopic behavior, determination of structural changes in response to external stimuli remains a challenge. Here, X-ray diffraction-computed tomography (XRD-CT), pair distribution function-CT (PDF-CT), and nanoprobe X-ray fluorescence (nano-XRF) have been used to uncover how an increase of magnesium in AAS affects the atomic structure and spatial arrangement of phases after aggressive carbonation (100% dry CO 2 ), conditions experienced in applications such as oil and gas wells and geological storage of CO 2 . From PDF-CT it is found that a higher magnesium content decreases the average nanoscale crystallite size of disordered calcium carbonate. At the same time, higher magnesium content is correlated with a less decalcified C-(N)-A-S-H gel, as determined via analysis of Ca-Si atom-atom correlations from PDF-CT and Ca/Si ratios from nano-XRF. Finally, nano-XRF reveals that the disordered (i.e., amorphous) calcium carbonate is stabilized by the presence of silicates.

McCaslin, Eric R. [Princeton Univ., NJ (United Sta↗

DOE OSTI2026

Part-scale evolution of fine-scale microstructural heterogeneity in solid-state additive manufacturing

Current solid-state additive manufacturing methods, refined through costly and time-consuming trial and error, have spurred interest in computational models that replicate material behavior under typical thermomechanical conditions (e.g., strain-rate ~ 102 s−1). These models, however, struggle to capture time-dependent microstructural evolution. In this work, Additive Friction-Stir Deposition (AFSD) is used as a representative case study for part-scale quantification of microstructure evolution at a fine spatial resolution (200 μm) by examining a liquid-nitrogen-cooled stop-action build via energy-dispersive X-ray diffraction coupled with a multi-channel detector. These results inform modeling efforts by linking process asymmetry to stored plastic strain, residual elastic strain, and texture development, and unlike current state-of-the-art characterization methods (e.g., EBSD or neutron diffraction), this approach provides both the spatial resolution and collection efficiency necessary to quantify fine-scale microstructural heterogeneity over large component volumes. As such, this technique provides essential validation data for computational models, e.g., crystal plasticity, enabling future prediction of heterogeneous behavior in AFSD and other additive manufacturing processes.

Franz, Cole [ORNL] (ORCID:0000000213465881)↗

DOE OSTI2023

Microstructure-process relationships in monolithic U-10Mo fuel foil single-pass rolling: A parametric simulation study

In this work, a previously validated coupling of Kinetic Monte Carlo (KMC) Potts Model and finite element method (FEM) simulations was implemented to investigate the effects of microstructural features in as-cast and homogenized monolithic U-10Mo foils on the emergent microstructure after rolling and reheating. Parameters that could potentially affect recrystallization behavior of the rolled U-10Mo foils were considered: grain size distribution, uranium carbide (UC) size distribution, UC volume fraction, spatial distribution of UC, and rolling reduction magnitude. Grain structure and the magnitude of rolling reduction have the strongest influence on recrystallization kinetics and the fabricated grain size distribution. The UC distribution had only a weak effect on the recrystallization kinetics and final microstructures. While particle-stimulated nucleation (PSN) occurred in simulation more frequently as grain size increased, its incidence did not appear to considerably affect the recrystallization kinetics or grain size distribution.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗