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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Axisymmetric Radiative Transfer Models of Kilonovae

The detailed observations of GW170817 proved for the first time directly that neutron star mergers are a major production site of heavy elements. The observations could be fit by a number of simulations that qualitatively agree, but can quantitatively differ (e.g., in total r-process mass) by an order of magnitude. We categorize kilonova ejecta into several typical morphologies motivated by numerical simulations, and apply a radiative transfer Monte Carlo code to study how the geometric distribution of the ejecta shapes the emitted radiation. We find major impacts on both spectra and light curves. The peak bolometric luminosity can vary by two orders of magnitude and the timing of its peak by a factor of five. These findings provide the crucial implication that the ejecta masses inferred from observations around the peak brightness are uncertain by at least an order of magnitude. Mixed two-component models with lanthanide-rich ejecta are particularly sensitive to geometric distribution. A subset of mixed models shows very strong viewing angle dependence due to lanthanide "curtaining," which persists even if the relative mass of lanthanide-rich component is small. The angular dependence is weak in the rest of our models, but different geometric combinations of the two components lead to a highly diverse set of light curves. We identify geometry-dependent P Cygni features in late spectra that directly map out strong lines in the simulated opacity of neodymium, which can help to constrain the ejecta geometry and to directly probe the r-process abundances.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

AbacusSummit: Cosmological N-body Halos, Light Cones, Particles, Merger Trees, Initial Conditions, and Power Spectra

This is the primary data release of the AbacusSummit, a suite of large, high-accuracy cosmological N-body simulations. Documentation describing the suite and code, including links to refereed publications and instructions for manipulating the data contained in this release, may be found at the following URL: https://abacussummit.readthedocs.io/ The primary data products presented in this release are halo catalogs, light cones, and particle data. Several supplemental products are also presented: power spectra, initial conditions, and merger trees. Cleaned halo catalogs are also provided for the subset of simulations that were used in refereed publications at the time of this DOI. This release also contains several large scale-free and high-redshift simulations run as part of the same allocation used to produce AbacusSummit.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2022

Secondary Inorganic Aerosol Chemistry and Its Impact on Atmospheric Visibility Over an Ammonia-Rich Urban Area in Central Taiwan

This study investigated the hourly inorganic aerosol chemistry and its impact on atmospheric visibility over an urban area in Central Taiwan, by relying on measurements of aerosol light extinction, inorganic gases, and PM 2.5 water-soluble ions (WSIs), and simulations from a thermodynamic equilibrium model. On average, the sulfate (SO 4 2− ), nitrate (NO 3 − ), and ammonium (NH 4 + ) components (SNA) contributed ∼90% of WSI concentrations, which in turn made up about 50% of the PM 2.5 mass. During the entire observation period, PM 2.5 and SNA concentrations, aerosol pH, aerosol liquid water content (ALWC), and sulfur and nitrogen conversion ratios all increased with decreasing visibility. In particular, the NO 3 − contribution to PM 2.5 increased, whereas the SO 4 2− contribution decreased, with decreasing visibility. The diurnal variations of the above parameters indicate that the interaction and likely mutual promotion between NO 3 − and ALWC enhanced the hygroscopicity and aqueous-phase reactions conducive for NO 3 − formation, thus led to severely impaired visibility. The high relative humidity (RH) at the study area (average 70.7%) was a necessary but not sole factor leading to enhanced NO 3 − formation, which was more directly associated with elevated ALWC and aerosol pH. Simulations from the thermodynamic model depict that the inorganic aerosol system in the study area was characterized by fully neutralized SO 4 2− (i.e. a saturated factor in visibility reduction) and excess NH 4 + amidst a NH 3 -rich environment. As a result, PM 2.5 composition was most sensitive to gas-phase HNO 3 , and hence NOx, and relatively insensitive to NH 3 . Consequently, a reduction of NOx would result in instantaneous cuts of NO 3 − , PM 2.5 , and ALWC, and hence improved visibility. On the other hand, a substantial amount of NH 3 reduction (>70%) would be required to lower the aerosol pH, driving more than 50% of the particulate phase NO 3 − to the gas phase, thereby making NH 3 a limiting factor in shifting PM 2.5 composition.

aerosol chemistry↗
NASA NTRS1971

Simulated space environment tests on cadmium sulfide solar cells

Cadmium sulfide (Cu2s - CdS) solar cells were tested under simulated space environmental conditions. Some cells were thermally cycled with illumination from a Xenon-arc solar simulator. A cycle was one hour of illumination followed immediately with one-half hour of darkness. In the light, the cells reached an equilibrium temperature of 60 C (333 K) and in the dark the cell temperature dropped to -120 C (153 K). Other cells were constantly illuminated with a Xenon-arc solar simulator. The equilibrium temperature of these cells was 55 C (328 K). The black vacuum chamber walls were cooled with liquid nitrogen to simulate a space heat sink. Chamber pressure was maintained at 0.000001 torr or less. Almost all of the solar cells tested degraded in power when exposed to a simulated space environment of either thermal cycling or constant illumination. The cells tested the longest were exposed to 10.050 thermal cycles.

Clarke, D. R.↗
DOE OSTI2020

Development of an Optimized Gasoline Surrogate Formulation for PACE Experiments and Simulations

New powertrain solutions are needed to address societal challenges stemming in part from a transportation sector which relies heavily on combustion of conventional hydrocarbon fuels like gasoline. One way to advance new solutions is through predictive simulations. Predictive simulations can potentially limit the extent of experimental validations, reduce time spent in engineering design cycles, unlock new strategies for high efficiency combustion with power density, and minimize tailpipe emissions. However, the simulation tools currently available are either too computationally expensive, inadequate in their accuracy, or a combination of the two. A DOE-funded consortium of national laboratories called the Partnership to Advance Combustion Engines (PACE) seeks to address this gap by rapidly delivering new knowledge and tools which enable market-competitive powertrain solutions for light-duty vehicles. Approaches to modeling combustion in powertrain systems typically incorporate computational fluid dynamics (CFD) simulations with chemical kinetic models. These CFD simulations generally use surrogate fuels featuring a limited number of existing components in a reduced kinetic model to limit computational costs. Such surrogate fuels often sacrifice matching several or more combustion and physical properties of the target gasoline fuel. Validation of surrogate fuels is also often only pursued for a small subset of standard metrics such as research or motor octane number (RON, MON). The purpose of this project is to develop an optimal E10 gasoline surrogate fuel suitable for tasks across PACE to facilitate rapid common analysis and progression toward consortium goals. This project received contributions from tasks led by eight PACE principal investigators. The project funding here reflects all tasks under Pitz, whose tasks also contributed to additional PACE projects. Based on the optimal gasoline surrogate fuel composition, a reduced chemical kinetic model will be shared with PACE researchers, industry, and the broader combustion community.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Interpretative transport modeling of the WEST boundary plasma: main plasma and light impurities

Understanding impurity transport in tokamak plasmas is crucial to control radiative losses and material migration in future magnetic fusion reactors. In this work we deploy the SolEdge2D-EIRENE code to model the boundary plasma in a WEST discharge, satisfactorily reproducing measurements of both upstream and divertor plasma conditions. Additionally, the spatial distribution of oxygen, studied here as a representative light impurity, is compared to vacuum ultraviolet spectroscopy measurements acquired with an oscillating line of sight. The simulation captures a key feature of the experiment, namely a factor of sime2 higher oxygen brightness in the inner divertor region compared to the outer one. This spatial asymmetry in oxygen concentration is interpreted by analyzing the balance of friction forces and thermal gradient forces that the light impurity exchanges with the main plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

X-ray clusters in a cold dark matter + lambda universe: A direct, large-scale, high-resolution, hydrodynamic simulation

A new, three-dimensional, shock-capturing, hydrodynamic code is utilized to determine the distribution of hot gas in a cold dark matter (CDM) + lambda model universe. Periodic boundary conditions are assumed: a box with size 85/h Mpc, having cell size 0.31/h Mpc, is followed in a simulation with 270(exp 3) = 10(exp 7.3) cells. We adopt omega = 0.45, lambda = 0.55, h identically equal to H/100 km/s/Mpc = 0.6, and then, from the cosmic background explorer (COBE) and light element nucleosynthesis, sigma(sub 8) = 0.77, omega(sub b) = 0.043. We identify the X-ray emitting clusters in the simulation box, compute the luminosity function at several wavelength bands, the temperature function and estimated sizes, as well as the evolution of these quantities with redshift. This open model succeeds in matching local observations of clusters in contrast to the standard omega = 1, CDM model, which fails. It predicts an order of magnitude decline in the number density of bright (h nu = 2-10 keV) clusters from z = 0 to z = 2 in contrast to a slight increase in the number density for standard omega = 1, CDM model. This COBE-normalized CDM + lambda model produces approximately the same number of X-ray clusters having L(sub x) greater than 10(exp 43) erg/s as observed. The background radiation field at 1 keV due to clusters is approximately the observed background which, after correction for numerical effects, again indicates that the model is consistent with observations.

Cen, Renyue↗
NASA NTRS2019

Planetary Rover Simulation for Lunar Exploration Missions

When planning planetary rover missions it is useful to develop intuition and skills driving in, quite literally, alien environments before incurring the cost of reaching said locales. Simulators make it possible to operate in environments that have the physical characteristics of target locations without the expense and overhead of extensive physical tests. To that end, NASA Ames and Open Robotics collaborated on a Lunar rover driving simulator based on the open source Gazebo simulation platform and leveraging ROS (Robotic Operating System) components. The simulator was integrated with research and mission software for rover driving, system monitoring, and science instrument simulation to constitute an end-to-end Lunar mission simulation capability. Although we expect our simulator to be applicable to arbitrary Lunar regions, we designed to a reference mission of prospecting in polar regions. The harsh lighting and low illumination angles at the Lunar poles combine with the unique reflectance properties of Lunar regolith to present a challenging visual environment for both human and computer perception. Our simulator placed an emphasis on high fidelity visual simulation in order to produce synthetic imagery suitable for evaluating human rover drivers with navigation tasks, as well as providing test data for computer vision software development.In this paper, we describe the software used to construct the simulated Lunar environment and the components of the driving simulation. Our synthetic terrain generation software artificially increases the resolution of Lunar digital elevation maps by fractal synthesis and inserts craters and rocks based on Lunar size-frequency distribution models. We describe the necessary enhancements to import large scale, high resolution terrains into Gazebo, as well as our approach to modeling the visual environment of the Lunar surface. An overview of the mission software system is provided, along with how ROS was used to emulate flight software components that had not been developed yet. Finally, we discuss the effect of using the high-fidelity synthetic Lunar images for visual odometry. We also characterize the wheel slip model, and find some inconsistencies in the produced wheel slip behaviour.

Allan, Mark↗
DOE OSTI2019

Bridging scales in multiphysics VCSEL modeling

On our way to develop a comprehensive simulator of vertical-cavity surface-emitting lasers including carrier transport, optical modes, light-matter interaction and heat conduction, we address some critical multiscale aspects of the adopted coupling strategy. The quantum corrections to the semiclassical carrier transport framework are the bridge from nanometer to micrometer scales. In this paper, such corrections are shown to be fundamental in view of predicting the mode competition ruling VCSEL operation. Nevertheless, they can generate unforeseen features such as swirling electron flows in the active region, which are discussed here in detail. The simulation approach has been finally tested through a successful comparison with a large set of experimental results.

42 ENGINEERING↗
DOE OSTI2022

Integrated Solar-Driven Device with a Front Surface Semitransparent Catalysts for Unassisted CO 2 Reduction

Monolithic integrated photovoltaic-driven electrochemical (PV-EC) artificial photosynthesis is reported for unassisted CO 2 reduction. The PV-EC structures employ triple junction photoelectrodes with a front mounted semitransparent catalyst layer as a photocathode. The catalyst layer is comprised of an array of microscale triangular metallic prisms that redirect incoming light toward open areas of the photoelectrode to reduce shadow losses. Full wave electromagnetic simulations of the prism array (PA) structure guide optimization of geometries and length scales. An integrated device is constructed with Ag catalyst prisms covering 35% of the surface area. The experimental device has close to 80% of the transmittance with a catalytic surface area equivalent 144% of the glass substrate area. Experimentally this photocathode demonstrates a direct solar-to-CO conversion efficiency of 5.9% with 50 h stability. Selective electrodeposition of Cu catalysts onto the surface of the Ag triangular prisms allows CO2 conversion to higher value products enabling demonstration of a solar-to-C 2+ product efficiency of 3.1%. This design featuring structures that have a semitransparent catalyst layer on a PV-EC cell is a general solution to light loss by shadowing for front surface mounted metal catalysts, and opens a route for the development of artificial photosynthesis based on this scalable design approach.

14 SOLAR ENERGY↗
DOE OSTI2026

3D probabilistic fracture mechanics / computational fluid dynamics simulation of a reactor pressure vessel under transient conditions

Reactor pressure vessels (RPVs) are safety-critical light-water-reactor components that, under irradiation, experience long-term material degradation in the form of embrittlement. This can increase their susceptibility to fracture under thermal-shock conditions, which could occur during off-normal transients such as loss-of-coolant accidents (LOCAs). During a LOCA, the most severe conditions for the RPV occur when emergency core cooling water is injected through the cold legs into the water-and-steam-filled RPV. The rapid cooling of the downcomer and internal RPV surface causes decreased temperature and elevated thermally driven tensile stresses in the RPV wall. This, combined with long-term material embrittlement, may cause fracture initiation at pre-existing flaws, challenging the integrity of the RPV. Assessing RPV integrity during transients with a large spatial variation in the coolant temperature requires a modeling approach that considers the effects of spatially varying coolant temperature on the fracture probability of a population of flaws distributed throughout the RPV, accounting for spatially varying embrittlement. Here, the present study addresses this need by demonstrating first-of-its-kind coupling of a high-fidelity 3D computational fluid dynamics code with 3D probabilistic fracture mechanics This was accomplished using representative models of a pressurized-water reactor subjected to small- and medium-break LOCA conditions, both of which can result in large spatial temperature variations. While the observed impact of accounting for 3D effects was minimal under the small-break LOCA this study indicates a significant increase in the probability of fracture initiation under the medium-break LOCA when 3D effects are considered, relative to a spatially uniform cooling scenario.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2014

The Impact of Different Absolute Solar Irradiance Values on Current Climate Model Simulations

Simulations of the preindustrial and doubled CO2 climates are made with the GISS Global Climate Middle Atmosphere Model 3 using two different estimates of the absolute solar irradiance value: a higher value measured by solar radiometers in the 1990s and a lower value measured recently by the Solar Radiation and Climate Experiment. Each of the model simulations is adjusted to achieve global energy balance; without this adjustment the difference in irradiance produces a global temperature change of 0.48C, comparable to the cooling estimated for the Maunder Minimum. The results indicate that by altering cloud cover the model properly compensates for the different absolute solar irradiance values on a global level when simulating both preindustrial and doubled CO2 climates. On a regional level, the preindustrial climate simulations and the patterns of change with doubled CO2 concentrations are again remarkably similar, but there are some differences. Using a higher absolute solar irradiance value and the requisite cloud cover affects the model's depictions of high-latitude surface air temperature, sea level pressure, and stratospheric ozone, as well as tropical precipitation. In the climate change experiments it leads to an underestimation of North Atlantic warming, reduced precipitation in the tropical western Pacific, and smaller total ozone growth at high northern latitudes. Although significant, these differences are typically modest compared with the magnitude of the regional changes expected for doubled greenhouse gas concentrations. Nevertheless, the model simulations demonstrate that achieving the highest possible fidelity when simulating regional climate change requires that climate models use as input the most accurate (lower) solar irradiance value.

climate change↗
DOE OSTI2020

Analysis and Validation of Spectral Irradiance Simulations for 75 kW Bifacial Solar Test Field

This work investigates how the spectrum of irradiance incident on the rear of bifacial modules impacts their performance. Light incident on the rear of bifacial modules can be reflected from the ground, mounting structures, and other nearby objects, causing both the intensity and spectrum to be modified. As a result, PV cells and sensors with different spectral responses report different values for the rear irradiance, leading to increased uncertainty when modeling performance. Here, we calculate the spectral irradiance incident on the rear of modules through raytrace simulations and validate with measured field data collected from a 75kW single-axis-tracked bifacial test site. Spectral responses for different sensors and PV cells are applied and compared with field measurements for four days. Based on these results, a method for improving non-spectral simulations is proposed. In addition, a linear regression is applied to the modeled spectral results as a method to gain insight into the contributions of ground reflected light to total rear irradiance.

bifacial photovoltaics↗
DOE OSTI2016

Pattern Effects of Soil on Photovoltaic Surfaces

The texture or patterning of soil on PV surfaces may influence light capture at various angles of incidence (AOI). Accumulated soil can be considered a microshading element, which changes with respect to AOI. Laboratory deposition of simulated soil was used to prepare test coupons for simultaneous AOI and soiling loss experiments. A mixed solvent deposition technique was used to consistently deposit patterned test soils onto glass slides. Transmission decreased as soil loading and AOI increased. Dense aggregates significantly decreased transmission. But, highly dispersed particles are less prone to secondary scattering, improving overall light collection. In order to test AOI losses on relevant systems, uniform simulated soil coatings were applied to split reference cells to further examine this effect. Finally, the measured optical transmission and area coverage correlated closely to the observed $I_{{rm SC}}$. Angular losses were significant at angles as low as 25°.

14 SOLAR ENERGY↗
DOE OSTI2023

Design of InGaN-ZnSnGa 2 N 4 quantum wells for high-efficiency amber light emitting diodes

A novel type-II InGaN-ZnSnGa 2 N 4 quantum well (QW) structure is proposed based on recent experimental achievements for the successful epitaxy of ZnSnN 2 -GaN alloys and the determination of their band offsets with GaN. The simulation results indicate that this structure is promising as the active region for high-efficiency InGaN-based amber (λ ~ 590 nm) light-emitting diodes (LEDs). The hole wavefunction in the valence band is better confined with the insertion of a monolayer scale of ZnSnGa 2 N 4 into the InGaN QW while the electron wavefunction in the conduction band is better confined with the incorporation of an AlGaN layer in the GaN quantum barrier. The band structure of the InGaN-ZnSnGa 2 N 4 QW is numerically simulated based on the experimentally measured band offsets between ZnSnGa 2 N 4 and GaN. With the InGaN-ZnSnGa 2 N 4 QW design, a low In content (20%) is required in the InGaN layer to reach a peak emission wavelength of ~590 nm, yet an In composition of 25% is needed to reach the same emission wavelength for a conventional InGaN QW with the same layer thicknesses. Moreover, the electron-hole wavefunction overlap (Гe1-hh1) for the InGaN-ZnSnGa 2 N 4 QW design reaches 18% for an emission wavelength at ~590 nm. This result is much improved over the conventional InGaN QW overlap of 5% emitting at the same wavelength. The increase in electron-hole wavefunction overlap results in an approximately 14 times enhancement in the predicted spontaneous emission radiative recombination rate of the InGaN-ZnSnGa 2 N 4 QW as compared to that of the conventional InGaN QW. This InGaN-ZnSnGa 2 N 4 QW structure design can be promising to pave a new way to achieve high efficiency amber LEDs.

42 ENGINEERING↗
DOE OSTI2018

Understanding the Twisted Structure of Amyloid Fibrils via Molecular Simulations

According to the article, accumulation and aggregation of amyloid are associated with the pathogenesis of many human diseases, such as Alzheimer’s disease and Type 2 diabetes mellitus. Therefore, a quantitative understanding of the molecular mechanisms causing different aggregated structures and biomechanical properties of amyloid fibrils could shed some light into the progression of these diseases. In this work, we develop coarse-grained molecular dynamics (CGMD) models to simulate the dynamic self-assembly of two types of amyloids (amylin and amyloid β (Aβ)). We investigate the structural and mechanical properties of different types of aggregated amyloid fibrils. Our simulations demonstrate that amyloid fibrils could result from longitudinal growth of protofilament bundles, confirming one of the hypotheses on the fibril formation. In addition, we find that the persistence length of amylin fibrils increases concurrently with their pitch length, suggesting that the bending stiffness of amylin fibrils becomes larger when the amylin fibrils are less twisted. Similar results are observed for Aβ fibrils. These findings quantify the connection between the structural and the biomechanical properties of the fibrils. The CGMD models developed in this work can be potentially used to examine efficacy of anti-aggregation drugs, which could help in developing new treatments.

Chemistry↗
DOE OSTI2017

Silicon nanoparticles as contrast agents in the methods of optical biomedical diagnostics

The efficiency of light scattering by nanoparticles formed using the method of picosecond laser ablation of silicon in water and by nanoparticles of mechanically grinded mesoporous silicon is compared. The ensembles of particles of both types possess the scattering coefficients sufficient to use them as contrast agents in optical coherence tomography (OCT), particularly in the range of wavelengths 700 – 1000 nm, where the absorption of both silicon and most biological and mimicking tissues is small. According to the Mie theory the main contribution to the scattering in this case is made by the particles having a relatively large size (150 – 300 nm). In the experiments on visualising the agar phantom surface by means of OCT, the contrast of the medium boundary, provided by nanoparticles amounted to 14 dB and 30 dB for the ablated particles and the porous silicon powder, respectively. The numerical simulation of OCT images of skin in the presence of nanoparticles, confirmed the efficiency of using them as a contrast agent. (nanoparticles)

62 RADIOLOGY AND NUCLEAR MEDICINE↗