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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Graph-learning approach to combine multiresolution seismic velocity models

SUMMARY The resolution of velocity models obtained by tomography varies due to multiple factors and variables, such as the inversion approach, ray coverage, data quality, etc. Combining velocity models with different resolutions can enable more accurate ground motion simulations. Toward this goal, we present a novel methodology to fuse multiresolution seismic velocity maps with probabilistic graphical models (PGMs). The PGMs provide segmentation results, corresponding to various velocity intervals, in seismic velocity models with different resolutions. Further, by considering physical information (such as ray path density), we introduce physics-informed probabilistic graphical models (PIPGMs). These models provide data-driven relations between subdomains with low (LR) and high (HR) resolutions. Transferring (segmented) distribution information from the HR regions enhances the details in the LR regions by solving a maximum likelihood problem with prior knowledge from HR models. When updating areas bordering HR and LR regions, a patch-scanning policy is adopted to consider local patterns and avoid sharp boundaries. To evaluate the efficacy of the proposed PGM fusion method, we tested the fusion approach on both a synthetic checkerboard model and a fault zone structure imaged from the 2019 Ridgecrest, CA, earthquake sequence. The Ridgecrest fault zone image consists of a shallow (top 1 km) high-resolution shear-wave velocity model obtained from ambient noise tomography, which is embedded into the coarser Statewide California Earthquake Center Community Velocity Model version S4.26-M01. The model efficacy is underscored by the deviation between observed and calculated traveltimes along the boundaries between HR and LR regions, 38 per cent less than obtained by conventional Gaussian interpolation. The proposed PGM fusion method can merge any gridded multiresolution velocity model, a valuable tool for computational seismology and ground motion estimation.

Geochemistry & Geophysics↗
DOE OSTI2018

Damage Mechanism Evaluation of Large-Scale Concrete Structures Affected by Alkali-Silica Reaction Using Acoustic Emission

Alkali-silica reaction has caused damage to concrete structures, endangering structural serviceability and integrity. This is of concern in sensitive structures such as nuclear power plants. In this study, acoustic emission (AE) was employed as a structural health monitoring strategy in large-scale, reinforced concrete specimens affected by alkali-silica reaction with differing boundary conditions resembling the common conditions found in nuclear containments. An agglomerative hierarchical algorithm was utilized to classify the AE data based on energy-frequency based features. The AE signals were transferred into the frequency domain and the energies in several frequency bands were calculated and normalized to the total energy of signals. Principle component analysis was used to reduce feature redundancy. Then the selected principal components were considered as features in an input of the pattern recognition algorithm. The sensor located in the center of the confined specimen registered the largest portion of AE energy release, while in the unconfined specimen the energy is distributed more uniformly. This confirms the results of the volumetric strain, which shows that the expansion in the confined specimen is oriented along the thickness of the specimen.

36 MATERIALS SCIENCE↗
NASA NTRS1979

An auroral effect on the fair weather electric field

Evidence is presented for coupling between the upper and lower atmosphere by means of the shorting out of the vertical mesospheric electric field by auroral radiation, which causes a transfer of mesospheric potential to the lower atmosphere. Measurements were made by an electric field antenna which was part of a parachute-borne payload, launched by rocket from near Fairbanks, Alaska. Data obtained from quiet time observations indicate the normal low altitude electric field pattern, with a greater field at high altitudes, while observations at disturbed times show a small field at high altitudes and a greater field at low altitudes. Means for observing this effect at lower latitudes are also suggested. While the data obtained support the proposed mechanism, it is noted that other mechanisms, such as direct modulation by large amounts of solar cosmic rays and aurorally produced charge separation, may also be important.

Hale, L. C.↗
NASA NTRS1984

On the geodynamic setting of kimberlite genesis

The emplacement of kimberlites in the North American and African continents since the early Palaeozoic appears to have occurred during periods of relatively slow motion of these continents. The distribution of kimberlites in time may reflect the global pattern of convection, which forces individual plates to move faster or slower at different times. Two-dimensional numerical experiments on a convecting layer with a moving upper boundary show two different regimes: in the first, when the upper boundary velocity is high, heat is transferred by the large-scale circulation and in the second, when the upper boundary velocity is lower, heat is predominantly transferred by thermal plumes rising from the lower boundary layer. For a reasonable mantle solidus, this second regime can give rise to partial melting beneath the moving plate, far from the plate boundaries. The transition between these modes takes place over a small range of plate velocities; for a Rayleigh number of 1,000,000 it occurs around 20 mm/yr. It is suggested that the generation of kimberlite magmas may result from thermal plumes incident on the base of a slowly moving plate.

England, P.↗
DOE OSTI2019

Experimental and Computational Analysis of NEAMS Pebble Bed Reactors

The Advanced High-Temperature Pebble Bed Reactor concept leverages a particle-based fuel format consisting of discrete spherical graphite pebbles arrayed in a packed bed architecture. Thermal regulation achieved via flow of gas (e.g., helium) or liquid (e.g., molten salt) coolants through the void spaces between pebbles in the bed (characteristic pebble diameters: ~ 6 cm, gas cooled; ~ 3 cm, liquid cooled). This design is of interest owing to inherent advantages including passive safety features and highly efficient heat transfer characteristics that enable high power densities to be achieved. Fully leveraging these advantages requires a fundamental understanding of the complex coolant flow structure within the pebble-shaped fuel bed. Unfortunately, complexities associated with non-invasively probing the micro-scale flow phenomena within the complex network of void spaces between pebbles have hindered efforts to characterize the underlying transport phenomena. Without this fundamental foundation, it becomes challenging to rationally construct macroscopic transport models based upon volume averages of micro-scale parameters that accurately capture the observed flow behavior. Consequently, this lack of fundamental knowledge has limited previous work to coarse comparisons between theory and extremely limited experimental data. Moreover, these comparisons have been made only in terms of integral or macroscopic results. Therefore, multipoint measurements with a high level of spatial and temporal resolution are critically needed to fully map the complex flow patterns and to provide data at high spatial density to permit accurate volume averaging in the pebble bed. For this project, we performed a coordinated experimental and computational effort to quantitatively map the full-field velocity and temperature fields in the interstitial spaces within the pebble bed. The major accomplishments of this project included the important knowledge acquired for the flow mixing and heat transfer in the interstitial pore scales, the effects of flow mixing in the near-wall and far-wall regions, and the by-pass flows of pebble bed systems. The produced high-resolution experimental data (not broadly available in existing literature) were then used for the numerical studies enabling the refinement and validation of standard simulation tools (Nek5000).

42 ENGINEERING↗
DOE OSTI2018

Comparison of Peptide Ion Conformers Arising from Non-Helical and Helical Peptides Using Ion Mobility Spectrometry and Gas-Phase Hydrogen/Deuterium Exchange

The dominant gas-phase conformer of [M+3H]{sup 3+} ions of the model peptide acetyl-PSSSSKSSSSKSSSSKSSSSK has been examined with ion mobility spectrometry (IMS), gas-phase hydrogen deuterium exchange (HDX), and mass spectrometry (MS) techniques. The [M+3H]{sup 3+} peptide ions are observed predominantly as a relatively compact conformer type. Upon subjecting these ions to electron transfer dissociation (ETD), the level of protection for each amino acid residue in the peptide sequence is assessed. The overall per-residue deuterium uptake is observed to be relatively more efficient for the neutral residues than for the model peptide acetyl-PAAAAKAAAAKAAAAKAAAAK. In comparison, the N-terminal and C-terminal regions of the serine peptide show greater relative protection compared with interior residues. Molecular dynamics (MD) simulations have been used to generate candidate structures for collision cross section and HDX reactivity matching. Hydrogen accessibility scoring (HAS) for select structural candidates from MD simulations has been used to suggest conformer types that could contribute to the observed HDX patterns. The results are discussed with respect to recent studies employing extensive MD simulations of gas-phase structure establishment of a peptide system. .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Development of molecular cluster models to probe pyrite surface reactivity

Abstract The recent discovery that anaerobic methanogens can reductively dissolve pyrite and utilize dissolution products as a source of iron and sulfur to meet their biosynthetic demands for these elements prompted the development of atomic‐scale nanoparticle models, as maquettes of reactive surface sites, for describing the fundamental redox steps that take place at the mineral surface during reduction. The given report describes our computational approach for modeling n (FeS 2 ) nanoparticles originated from mineral bulk structure. These maquettes contain a comprehensive set of coordinatively unsaturated Fe (II) sites that are connected via a range of persulfide (S 2 2− ) ligation. In addition to the specific maquettes with n = 8, 18, and 32 FeS 2 units, we established guidelines for obtaining low‐energy structures by considering the pattern of ionic, covalent, and magnetic interactions among the metal and ligand sites. The developed models serve as computational nano‐reactors that can be used to describe the reductive dissolution mechanism of pyrite to better understand the reactive sites on the mineral, where microbial extracellular electron‐transfer reactions can occur.

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

Development of a novel high quantum efficiency MV x-ray detector for image-guided radiotherapy: A feasibility study

Purpose: To develop a new scintillating fiber-based electronic portal imaging device (EPID) with a high quantum efficiency (QE) while preserving an adequate spatial resolution. Methods: Two prototypes were built: one with a single pixel readout and the other with an active matrix flat-panel imager (AMFPI) for readout. The energy conversion layer of both prototypes was made of scintillating fiber layers interleaved with corrugated lead sheets to form a honeycomb pattern. The scintillating fibers have a diameter of 1 mm and the distance between the centers of neighboring fibers on the same layer is 1.35 mm. The layers have 1.22 mm spacing between them. The energy conversion layer has a thickness of 2 cm. The modulation transfer function (MTF), antiscatter properties and sensitivity of the detector with a single pixel readout were measured using a 6-MV beam on a LINAC machine. In addition, a Monte Carlo simulation was conducted to calculate the zero-frequency detective quantum efficiency (DQE(0)) of the proposed detector with an active matrix flat-panel imager for readout. Results: The DQE(0) of the proposed detector can be 11.5%, which is about an order of magnitude higher than that of current EPIDs. The frequency of 50% modulation (f 50 ) of the measured MTF is 0.2 mm –1 at 6 MV, which is comparable to that of video-based EPIDs. The scatter to primary ratio (SPR) measured with the detector at 10 cm air gap and 20 x 20 cm 2 field size is approximately 30% lower than that of ionization chamber–based detectors with a comparable QE. The detector noise which includes the x-ray quantum noise and absorption noise is much larger than the electronic noise per pixel of the flat-panel imager at a dose of less than two LINAC pulses. Thus, the proposed detector is quantum noise limited down to very low doses (~a couple of radiation pulses of the LINAC). A proof-of-concept image has been obtained using a 6-MV beam. Conclusions: This work indicates that by using scintillating fibers and lead layers it is possible to increase the thickness of the detecting materials, and therefore the QE or the DQE(0) of the detector, while maintaining an adequate spatial resolution for MV x-ray imaging. Due to the use of lead as the spacing material, the new detector also has antiscatter property, which will help improve the signal-to-noise ratio of the images. Further investigation to optimize the design of the detector and achieve a better combination of DQE and spatial resolution is warranted.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

LC-MEMENTO: A Memory Model for Accelerated Architectures

With the advent of heterogeneous architectures, in particular, with the ubiquity of multi-GPU systems, it is becoming increasingly important to manage device memory efficiently in order to reap the benefits of the additional core count. To date, such responsibility mainly falls on the programmer where device-to-host data communication (and vice versa), if not done properly, may incur costly memory transfer operations and synchronization. The problem may be compounded by additional requirement to maintain system-wide memory consistency that may involve expensive synchronization overhead. In this paper, we present Location Consistency Memory Model for Enhanced Transfer Operations (LC-MEMENTO). This framework considers incorporating runtime techniques for multi-GPU memory management to support relaxed synchronization semantics and memory transfer operations automatically. Specifically, we implement a relaxed form of a memory consistency model based on the Location Consistency (LC) in an Asynchronous Many-Task Runtime (ARTS) and demonstrate that, this memory model enables additional optimization opportunities for the three representative applications encompassing different computational patterns (scientific computation, graphs, data streaming, etc.).

Memory Models, Accelerators, Adaptive Optimization↗
DOE OSTI2025

Dual-Responsive Macromolecular Surfaces with Binary Patterns

The development of nanopatterned interfaces incorporating multiple stimuli-responsive polymers has great potential for advancing smart sensors and molecular capture devices, yet it remains challenging due to limitations in patterning techniques and “grafting from” methods. Here, we present a binary-patterned surface featuring honeycomb-shaped photothermal polypyrrole (PPy) and thermally responsive poly(ethylene glycol methyl ether acrylate-co-poly(ethylene glycol) methyl ether acrylate) [poly(EGMEA-co-PEGMEA)] brushes within the cavities, fabricated using colloidal lithography and surface-initiated photoinduced electron transfer-reversible addition–fragmentation chain transfer (SI-PET-RAFT) polymerization. The morphology of the surface can be precisely tuned by adjusting the height of each domain. This design integrates unique topographical features with the stimuli-responsiveness of the polymer, enabling the collapse of the copolymer brushes through direct heating or photothermal conversion of PPy under near-IR light. In conclusion, this innovative system offers potential capture-release functionality, providing versatility for diverse applications and enhancing adaptability across different functional scenarios.

Copolymers↗
DOE OSTI2020

DeepFreeze: Towards Scalable Asynchronous Checkpointing of Deep Learning Models

In the age of big data, deep learning has emerged as a powerful tool to extract insight and exploit its value, both in industry and scientific applications. One common pattern emerging in such applications is frequent checkpointing of the state of the learning model during training, needed in a variety of scenarios: analysis of intermediate states to explain features and correlations with training data, exploration strategies involving alternative models that share a common ancestor, knowledge transfer, resilience, etc. However, with increasing size of the learning models and popularity of distributed data-parallel training approaches, simple checkpointing techniques used so far face several limitations: low serialization performance, blocking I/O, stragglers due to the fact that only a single process is involved in checkpointing. This paper proposes a checkpointing technique specifically designed to address the aforementioned limitations, introducing efficient asynchronous techniques to hide the overhead of serialization and I/O, and distribute the load over all participating processes. Experiments with two deep learning applications (CANDLE and ResNet) on a pre-Exascale HPC platform (Theta) shows significant improvement over state-of-art, both in terms of checkpointing duration and runtime overhead.

checkpointing↗
DOE OSTI2020

Unusual Breathing Behavior of Optically Excited Barium Titanate Nanocrystals

Coherent X-ray diffraction patterns were recorded by using an X-ray free-electron laser to illuminate barium titanate nanocrystals as a function of time delay after laser excitation. Rather than seeing any significant thermal expansion effects, the diffraction peaks were found to move perpendicular to the momentum transfer direction. This suggests a laser driven rotation of the crystal lattice, which is delayed by the aggregated state of the crystals. Internal deformations associated with crystal contacts were also observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

The timing and sources of information for the adoption and implementation of production innovations

Two dimensions (personal-impersonal and internal-external) are used to characterize information sources as they become important during the interorganizational transfer of production innovations. The results of three studies are reviewed for the purpose of deriving a model of the timing and importance of different information sources and the utilization of new technology. Based on the findings of two retrospective studies, it was concluded that the pattern of information seeking behavior in user organizations during the awareness stage of adoption is not a reliable predictor of the eventual utilization rate. Using the additional findings of a real-time study, an empirical model of the relative importance of information sources for successful user organizations is presented. These results are extended and integrated into a theoretical model consisting of a time-profile of successful implementations and the relative importance of four types of information sources during seven stages of the adoption-implementation process.

Ettlie, J. E.↗
NASA NTRS1979

The Martian polar vortex - Theory of seasonal variation and observations of eolian features

Observations of eolian features in the south polar region of Mars show strikingly axisymmetric patterns. The paper presents an explanation for the patterns in terms of the simplest dynamical model possible. Piraglia's (1975) model is simplified by neglecting compressibility and by assuming a cylindrical rather than spherical geometry, but this model is extended by including the nonlinear transport terms (of order Rossby number) and the seasonal mass transfer terms. The proposed model is therefore focused on determining the surface stress in polar regions rather than the atmospheric structure. The model is described, the parameter values are discussed, and the solutions are compared with observations. It is shown that the model predicts seasonal behavior which can be divided into four periods: formation of the south polar cap, its maximum extent, sublimation, and absence.

French, R. G.↗
NASA NTRS2013

On the Nature of Earth-Mars Porkchop Plots

Porkchop plots are a quick and convenient tool to help mission designers plan ballistic trajectories between two bodies. Parameter contours give rise to the familiar 'porkchop' shape. Each synodic period the pattern repeats, but not exactly, primarily due to differences in inclination and non-zero eccentricity. In this paper we examine the morphological features of Earth-to-Mars porkchop plots and the orbital characteristics that create them. These results are compared to idealistic and optimized transfers. Conclusions are drawn about 'good' opportunities versus 'bad' opportunities for different mission applications.

orbital parameters↗
NASA NTRS2009

Quantifying Parameter Sensitivity, Interaction and Transferability in Hydrologically Enhanced Versions of Noah-LSM over Transition Zones

We use sensitivity analysis to identify the parameters that are most responsible for shaping land surface model (LSM) simulations and to understand the complex interactions in three versions of the Noah LSM: the standard version (STD), a version enhanced with a simple groundwater module (GW), and version augmented by a dynamic phenology module (DV). We use warm season, high-frequency, near-surface states and turbulent fluxes collected over nine sites in the US Southern Great Plains. We quantify changes in the pattern of sensitive parameters, the amount and nature of the interaction between parameters, and the covariance structure of the distribution of behavioral parameter sets. Using Sobol s total and first-order sensitivity indexes, we show that very few parameters directly control the variance of the model output. Significant parameter interaction occurs so that not only the optimal parameter values differ between models, but the relationships between parameters change. GW decreases parameter interaction and appears to improve model realism, especially at wetter sites. DV increases parameter interaction and decreases identifiability, implying it is overparameterized and/or underconstrained. A case study at a wet site shows GW has two functional modes: one that mimics STD and a second in which GW improves model function by decoupling direct evaporation and baseflow. Unsupervised classification of the posterior distributions of behavioral parameter sets cannot group similar sites based solely on soil or vegetation type, helping to explain why transferability between sites and models is not straightforward. This evidence suggests a priori assignment of parameters should also consider climatic differences.

Rosero, Enrique↗
NASA NTRS1974

Analysis of high-velocity and real-gas effects on the shock-interference pattern for delta-wing orbiters

Numerical solutions have been generated to study the two-dimensional flow field which results when supersonic flow encounters double-wedge configurations whose angles are such that a Type VI pattern occurs. Two numerical codes were developed: one which used the perfect-gas relations (including the ability to vary gamma to 'simulate' real-gas effects) and a second which incorporated a Mollier table to define equilibrium air properties. Theoretical surface-pressure and heat-transfer distributions in the interaction perturbed region along the simulated 'wing-leading edge' were obtained for velocities from 1167 m/sec to 7610 m/sec.

Bertin, J. J.↗
NASA NTRS1987

Laminar mixing in a small floating zone

The relationship between the flow and solute fields during steady mass transfer of a dilute component is analyzed for multi-cellular rotating flows in the floating zone process of semiconductor growth. When the recirculating flows are weak in relation to the rate of crystal growth, a closed-form solution clearly shows the link between the convection pattern in the melt and the solute distribution across the surface of the growing solid. In the limit of strong convection, finite element calculations demonstrate the tendency of the composition to become uniform over the majority of the melt. The solute segregation in the product crystal is greatest when the recirculating motion is comparable to the rate of crystal growth, and points to the danger in attempting to grow compositionally uniform materials from a nearly convectionless melt.

Harriott, George M.↗