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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Relative plan robustness of step-and-shoot vs rotational intensity–modulated radiotherapy on repeat computed tomographic simulation for weight loss in head and neck cancer

Introduction: Interfractional anatomical alterations may have a differential effect on the dose delivered by step-and-shoot intensity-modulated radiotherapy (IMRT) and volumetric-modulated arc therapy (VMAT). The increased degrees of freedom afforded by rotational delivery may increase plan robustness (measured by change in target volume coverage and doses to organs at risk [OARs]). However, this has not been evaluated for head and neck cancer. Materials and methods: A total of 10 patients who required repeat computed tomography (CT) simulation and replanning during head and neck IMRT were included. Step-and-shoot IMRT and VMAT plans were generated from the original planning scan. The initial and second CT simulation scans were fused and targets/OAR contours transferred, reviewed, and modified. The plans were applied to the second CT scan and doses recalculated without repeat optimization. Differences between step-and-shoot IMRT and VMAT for change in target volume coverage and doses to OARs between first and second CT scans were compared by Wilcoxon signed rank test. Results: There were clinically relevant dosimetric changes between the first and the second CT scans for both the techniques (reduction in mean D{sub 95%} for PTV2 and PTV3, D{sub min} for CTV2 and CTV3, and increased mean doses to the parotid glands). However, there were no significant differences between step-and-shoot IMRT and VMAT for change in any target coverage parameter (including D{sub 95%} for PTV2 and PTV3 and D{sub min} for CTV2 and CTV3) or dose to any OARs (including parotid glands) between the first and the second CT scans. Conclusions: For patients with head and neck cancer who required replanning mainly due to weight loss, there were no significant differences in plan robustness between step-and-shoot IMRT and VMAT. This information is useful with increased clinical adoption of VMAT.

61 RADIATION PROTECTION AND DOSIMETRY↗
NASA NTRS1992

Kinetic description of electron beams in the solar chromosphere

We formulate the relativistic Fokker-Plank equation for a beam of accelerated electrons interacting with a partially ionized plasma. In our derivation we conserved those terms contributing to velocity diffusion and found that this effect cannot be neglected a priori. We compute the terms accounting for elastic and inelastic collisions with neutral hydrogen and helium. Collisions with neutral hydrogen are found to be dominant throughout the chromosphere, except at the uppermost layers close to the transition region. As an application, we compute the loss of energy and momentum for a power-law beam impinging on the solar chromosphere, for a particular case in which the Fokker-Planck equation can be integrated analytically. We find that most of the beam energy is deposited in a relatively thin region of the chromosphere, a result which is largely insensitive to the theoretical method employed to compute the energy deposition rate.

Gomez, Daniel O.↗
DOE OSTI2011

Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I

Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G} for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient parallel computation of particle and fluid dynamics simulations. These problems occur throughout DOE, military and commercial sectors: the potential payoff is high. We plan to license or sell the solution to contractors for military and domestic applications such as disaster simulation (aerodynamic and hydrodynamic), Government agencies (hydrological and environmental simulations), and medical applications (e.g., in tomographic image reconstruction). Keywords - High-performance Computing, Graphic Processing Unit, Fluid/Particle Simulation. Summary for Members of Congress - Department of Energy has many simulation codes that must compute faster, to be effective. The Phase I research parallelized particle/fluid simulations for rocket combustion, for high-performance computing systems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1974

Measurements of lunar atmospheric loss rate

Ions from the lunar atmosphere are observed near the lunar terminators by the Apollo Suprathermal Ion Detector Experiments. These ions are accelerated toward the lunar surface by the interplanetary electric field and the lunar surface electric field. The ion implantation rates for these mechanisms are of the order of 7 and 0.4 g/sec, respectively. The removal rate into space by the interplanetary electric field is also approximately 7 g/sec. This measurement is used as a constraint to evaluate possible sources of the lunar atmosphere. Upper limits to the size of the lunar atmosphere in the past are established by computing the loss rate of denser lunar atmospheres.

Vondrak, R. R.↗
DOE OSTI2024

tLaSDI: Thermodynamics-informed latent space dynamics identification

Here we propose a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Thermodynamics-informed latent space dynamics identification

This software showcases a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

Cheung, Siu Wun↗
DOE OSTI2024

Multi-level, forming and filament free, bulk switching trilayer RRAM for neuromorphic computing at the edge

CMOS-RRAM integration holds great promise for low energy and high throughput neuromorphic computing. However, most RRAM technologies relying on filamentary switching suffer from variations and noise, leading to computational accuracy loss, increased energy consumption, and overhead by expensive program and verify schemes. We developed a filament-free, bulk switching RRAM technology to address these challenges. We systematically engineered a trilayer metal-oxide stack and investigated the switching characteristics of RRAM with varying thicknesses and oxygen vacancy distributions to achieve reliable bulk switching without any filament formation. We demonstrated bulk switching at megaohm regime with high current nonlinearity, up to 100 levels without compliance current. We developed a neuromorphic compute-in-memory platform and showcased edge computing by implementing a spiking neural network for an autonomous navigation/racing task. Our work addresses challenges posed by existing RRAM technologies and paves the way for neuromorphic computing at the edge under strict size, weight, and power constraints.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

A Computational Methodology for Simulating Thermal Loss Testing of the Advanced Stirling Convertor

The U.S. Department of Energy (DOE) and Lockheed Martin Space Systems Company (LMSSC) have been developing the Advanced Stirling Radioisotope Generator (ASRG) for use as a power system for space science missions. This generator would use two highefficiency Advanced Stirling Convertors (ASCs), developed by Sunpower Inc. and NASA Glenn Research Center (GRC). The ASCs convert thermal energy from a radioisotope heat source into electricity. As part of ground testing of these ASCs, different operating conditions are used to simulate expected mission conditions. These conditions require achieving a particular operating frequency, hot end and cold end temperatures, and specified electrical power output for a given net heat input. In an effort to improve net heat input predictions, numerous tasks have been performed which provided a more accurate value for net heat input into the ASCs, including the use of multidimensional numerical models. Validation test hardware has also been used to provide a direct comparison of numerical results and validate the multi-dimensional numerical models used to predict convertor net heat input and efficiency. These validation tests were designed to simulate the temperature profile of an operating Stirling convertor and resulted in a measured net heat input of 244.4 W. The methodology was applied to the multi-dimensional numerical model which resulted in a net heat input of 240.3 W. The computational methodology resulted in a value of net heat input that was 1.7 percent less than that measured during laboratory testing. The resulting computational methodology and results are discussed.

Reid, Terry V.↗
DOE OSTI2020

Toroidal modeling of runaway electron loss due to 3-D fields in DIII-D and COMPASS

The 3-D field induced relativistic runaway electron (RE) loss has been simulated for DIII-D, COMPASS and ITER plasmas, utilizing the MARS-F code incorporated with the recently developed and updated RE orbit module (REORBIT). Modeling shows effectively 100% loss of a post-disruption, high-current runaway beam in DIII-D, due to the 1 kG level of magnetic field perturbation produced by a fast growing n = 1 resistive kink instability. The RE loss is shown to be independent of the particle energy or the initial location of particles in the configuration space. Applied resonant magnetic perturbation (RMP) fields from in-vessel coils are not effective for RE beam mitigation in DIII-D, but do produce finite (>10%) RE loss in COMPASS, consistent with experimental observations in above two devices. The major reasons for this difference in RE control by RMP between these two devices are (i) the coil proximity to the RE beam and (ii) the effective coil current scaling versus the machine size and the toroidal magnetic field. About 10% RE loss fraction is also predicted for an ITER 15 MA scenario with pre-disruption plasma, highlighting the role of the plasma response. Up to 30% loss is computed, however, by artificially scaling the equilibrium pressure to zero. This is due to the more resistive plasma response and stronger resulting field line stochasticity. Distributions of the lost REs to the limiting surface show poloidally peaked profile near the high-field-side in both DIII-D and COMPASS, covering about 100o poloidal angle. Higher perturbation field level and/or higher particle energy also result in REs being lost to the low-field-side of the limiting surface of these two devices, increasing the effective wetted area. Finally, for the modeled ITER plasmas, the applied RMP field, with optimal poloidal spectrum that maximizes the edge localized mode control, leads to REs being lost to the lower divertor region of the limiting surface within a narrow poloidal band.

3-D field↗
DOE OSTI2014

The Lyman alpha reference sample. II. Hubble space telescope imaging results, integrated properties, and trends

We report new results regarding the Lyα output of galaxies, derived from the Lyman Alpha Reference Sample, and focused on Hubble Space Telescope imaging. For 14 galaxies we present intensity images in Lyα, Hα, and UV, and maps of Hα/Hβ, Lyα equivalent width (EW), and Lyα/Hα. We present Lyα and UV radial light profiles and show they are well-fitted by Sérsic profiles, but Lyα profiles show indices systematically lower than those of the UV (n ≈ 1-2 instead of ≳ 4). This reveals a general lack of the central concentration in Lyα that is ubiquitous in the UV. Photometric growth curves increase more slowly for Lyα than the far ultraviolet, showing that small apertures may underestimate the EW. For most galaxies, however, flux and EW curves flatten by radii ≈10 kpc, suggesting that if placed at high-z only a few of our galaxies would suffer from large flux losses. We compute global properties of the sample in large apertures, and show total Lyα luminosities to be independent of all other quantities. Normalized Lyα throughput, however, shows significant correlations: escape is found to be higher in galaxies of lower star formation rate, dust content, mass, and nebular quantities that suggest harder ionizing continuum and lower metallicity. Six galaxies would be selected as high-z Lyα emitters, based upon their luminosity and EW. We discuss the results in the context of high-z Lyα and UV samples. A few galaxies have EWs above 50 Å, and one shows f{sub esc}{sup Lyα} of 80%; such objects have not previously been reported at low-z.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Reductive Elimination From Tetra‐Alkyl Cuprates [Me n Cu(CF 3 ) 4− n ] − ( n =0–4): Beyond Simple Oxidation States

Abstract In recent years, the electronic structures of organocuprates in general and the complex [Cu(CF 3 ) 4 ] − in particular have attracted significant interest. A possible key indicator in this context is the reactivity of these species. Nonetheless, this aspect has received only limited attention. Here, we systematically study the series of tetra‐alkyl cuprates [Me n Cu(CF 3 ) 4− n ] − and their unimolecular reactivity in the gas phase, which includes concerted formal reductive eliminations as well as radical losses. Through computational studies, we characterize the electronic structures of the complexes and show how these are connected to their reactivity. We find that all [Me n Cu(CF 3 ) 4− n ] − ions feature inverted ligand fields and that the distinct reactivity patterns of the individual complexes arise from the interplay of different effects.

Zimmer, Bastian↗
DOE OSTI2020

Computational analysis of ion orbital loss in diverted positive- and negative-triangularity tokamaks

The mechanism of ion orbital loss in diverted negative-triangularity (NT) tokamaks is significantly different from that of positive-triangularity (PT) tokamaks. The orbital loss from the edge of NT tokamaks can be quite large, because the separatrix X-point is located on the outboard side, meaning that trapped ions crossing the separatrix are lost to the inboard divertor plate after a mirror reflection on the side of the strong magnetic field. NT tokamaks have difficulties in building up steep pressure gradients in the edge regions. However, the majority of trapped ions crossing the separatrix in PT tokamaks survive (through complete banana motions) without reaching the X-point region. For NT tokamaks, topological changes in the trapped ion trajectories can be achieved in the presence of the radial electric field, thus reducing the orbital loss, whereas for PT tokamaks, the orbital loss is relatively insensitive to the radial electric field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Ab initio study of hot electrons in GaAs

Significance How does an excited electron lose its energy? This problem is central in fields ranging from condensed matter physics to electrical engineering and chemistry. The cooling of hot electrons in gallium arsenide (GaAs) is the critical process underlying the operation of exciting electronic and optoelectronic devices, but the nature of this cooling is controversial. Here, we present calculations showing that hot electrons in GaAs lose energy chiefly by emitting lattice vibrations. We find a dominant role of acoustic vibrations, challenging the common notion that optical vibrations dominate excited electron energy loss. Our computational approach shines light on microscopic processes that are hard to capture with both experiments and semi-empirical calculations and opens new avenues to compute excited electron dynamics.

Bernardi, Marco↗
DOE OSTI2013

Power suppression at large scales in string inflation

We study a possible origin of the anomalous suppression of the power spectrum at large angular scales in the cosmic microwave background within the framework of explicit string inflationary models where inflation is driven by a closed string modulus parameterizing the size of the extra dimensions. In this class of models the apparent power loss at large scales is caused by the background dynamics which involves a sharp transition from a fast-roll power law phase to a period of Starobinsky-like slow-roll inflation. An interesting feature of this class of string inflationary models is that the number of e-foldings of inflation is inversely proportional to the string coupling to a positive power. Therefore once the string coupling is tuned to small values in order to trust string perturbation theory, enough e-foldings of inflation are automatically obtained without the need of extra tuning. Moreover, in the less tuned cases the sharp transition responsible for the power loss takes place just before the last 50-60 e-foldings of inflation. We illustrate these general claims in the case of Fibre Inflation where we study the strength of this transition in terms of the attractor dynamics, finding that it induces a pivot from a blue to a redshifted power spectrum which can explain the apparent large scale power loss. We compute the effects of this pivot for example cases and demonstrate how magnitude and duration of this effect depend on model parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Radiation-damage investigation of a DNA 16-mer

In macromolecular crystallography, a great deal of effort has been invested in understanding radiation-damage progression. While the sensitivity of protein crystals has been well characterized, crystals of DNA and of DNA–protein complexes have not thus far been studied as thoroughly. Here, a systematic investigation of radiation damage to a crystal of a DNA 16-mer diffracting to 1.8 Å resolution and held at 100 K, up to an absorbed dose of 45 MGy, is reported. The RIDL ( Radiation-Induced Density Loss ) automated computational tool was used for electron-density analysis. Both the global and specific damage to the DNA crystal as a function of dose were monitored, following careful calibration of the X-ray flux and beam profile. The DNA crystal was found to be fairly radiation insensitive to both global and specific damage, with half of the initial diffraction intensity being lost at an absorbed average diffraction-weighted dose, D 1/2 , of 19 MGy, compared with 9 MGy for chicken egg-white lysozyme crystals under the same beam conditions but at the higher resolution of 1.4 Å. The coefficient of sensitivity of the DNA crystal was 0.014 Å 2 MGy -1 , which is similar to that observed for proteins. These results imply that the significantly greater radiation hardness of DNA and RNA compared with protein observed in a DNA–protein complex and an RNA–protein complex could be due to scavenging action by the protein, thereby protecting the DNA and RNA in these studies. In terms of specific damage, the regions of DNA that were found to be sensitive were those associated with some of the bound calcium ions sequestered from the crystallization buffer. In contrast, moieties farther from these sites showed only small changes even at higher doses.

Instruments & Instrumentation↗
DOE OSTI2014

A Peptide-Based Method for 13C Metabolic Flux Analysis in Microbial Communities

The study of intracellular metabolic fluxes and inter-species metabolite exchange for microbial communities is of crucial importance to understand and predict their behaviour. The most authoritative method of measuring intracellular fluxes, 13C Metabolic Flux Analysis (13C MFA), uses the labeling pattern obtained from metabolites (typically amino acids) during 13C labeling experiments to derive intracellular fluxes. However, these metabolite labeling patterns cannot easily be obtained for each of the members of the community. Here we propose a new type of 13C MFA that infers fluxes based on peptide labeling, instead of amino acid labeling. The advantage of this method resides in the fact that the peptide sequence can be used to identify the microbial species it originates from and, simultaneously, the peptide labeling can be used to infer intracellular metabolic fluxes. Peptide identity and labeling patterns can be obtained in a high-throughput manner from modern proteomics techniques. We show that, using this method, it is theoretically possible to recover intracellular metabolic fluxes in the same way as through the standard amino acid based 13C MFA, and quantify the amount of information lost as a consequence of using peptides instead of amino acids. We show that by using a relatively small number of peptides we can counter this information loss. We computationally tested this method with a well-characterized simple microbial community consisting of two species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Photovoltaic Inverter Reliability Assessment

As the price of PV modules drops, the price of power electronics become more important. Power electronics now constitute 8%-12% of the total lifetime PV cost. As of 2010, the inverter and associated power conditioning components accounted for $\$0.25$/W, well above the DOE benchmark of $\$0.12$/W by 2020. As efforts to reduce PV module costs yield diminishing returns, the importance of understanding and reducing inverter costs becomes an increasingly critical and cost-effective investment toward achieving the DOE SunShot goals. With this in view, this report showcases and describes an approach to help assess and predict the reliability of photovoltaic (PV) inverters. To predict the reliability, thermal cycling is considered as a prominent stressor in the inverter system. To evaluate the impacts of thermal cycling, a detailed linearized model of the PV inverter is developed along with controllers. This research also develops models and methods to compute the losses of the power electronics switches and other components in a PV inverter. The losses are then used to estimate the junction and heat sink temperature. The model is verified by developing an in-house inverter. Additionally, to assess the scalability of the research, the hardware inverter is placed inside a thermal chamber to verify the losses for different ambient temperatures. After the verification of the model, a reduced-order model of the inverter is implemented to translate the profile of ambient temperature and solar irradiance into the profile of junction temperatures of the switches. The estimated junction temperature data are used to identify inverter reliability indices and predict the useful lifetime of the inverter system. After developing the models to predict the useful lifetime of the system, the impact of reactive power on the overall reliability of the system will be studied. The first chapter involves the motivation behind the research on assessing the reliability of PV inverters. The inverter power stage and controller design of the power converter used in this research is also explained in detail in this chapter. The second chapter presents the various losses of the power converter system and the translation of power loss into temperature increase with thermal modeling. The results of the loss modeling and the thermal modeling are also explained in detail in this chapter. The third chapter involves implementing the reduced-order model to translate the mission profile of ambient temperature and solar irradiance into profile of the junction temperatures of the switches. The final chapter involves identifying reliability indices, which are of interest for this system to predict the remaining useful life of the system, and concludes with the impact of reactive power on the overall reliability of the inverter system.

14 SOLAR ENERGY↗