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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Photospheric Magnetic Flux Transport - Supergranules Rule

Observations of the transport of magnetic flux in the Sun's photosphere show that active region magnetic flux is carried far from its origin by a combination of flows. These flows have previously been identified and modeled as separate axisymmetric processes: differential rotation, meridional flow, and supergranule diffusion. Experiments with a surface convective flow model reveal that the true nature of this transport is advection by the non-axisymmetric cellular flows themselves - supergranules. Magnetic elements are transported to the boundaries of the cells and then follow the evolving boundaries. The convective flows in supergranules have peak velocities near 500 m/s. These flows completely overpower the superimposed 20 m/s meridional flow and 100 m/s differential rotation. The magnetic elements remain pinned at the supergranule boundaries. Experiments with and without the superimposed axisymmetric photospheric flows show that the axisymmetric transport of magnetic flux is controlled by the advection of the cellular pattern by underlying flows representative of deeper layers. The magnetic elements follow the differential rotation and meridional flow associated with the convection cells themselves -- supergranules rule!

Hathaway, David H.↗
NASA NTRS2016

Unstructured Grid Adaptation: Status, Potential Impacts, and Recommended Investments Toward CFD Vision 2030

Unstructured grid adaptation is a powerful tool to control discretization error for Computational Fluid Dynamics (CFD). It has enabled key increases in the accuracy, automation, and capacity of some fluid simulation applications. Slotnick et al. provides a number of case studies in the CFD Vision 2030 Study: A Path to Revolutionary Computational Aerosciences to illustrate the current state of CFD capability and capacity. The authors forecast the potential impact of emerging High Performance Computing (HPC) environments forecast in the year 2030 and identify that mesh generation and adaptivity continue to be significant bottlenecks in the CFD work flow. These bottlenecks may persist because very little government investment has been targeted in these areas. To motivate investment, the impacts of improved grid adaptation technologies are identified. The CFD Vision 2030 Study roadmap and anticipated capabilities in complementary disciplines are quoted to provide context for the progress made in grid adaptation in the past fifteen years, current status, and a forecast for the next fifteen years with recommended investments. These investments are specific to mesh adaptation and impact other aspects of the CFD process. Finally, a strategy is identified to diffuse grid adaptation technology into production CFD work flows.

Park, Michael A.↗
DOE OSTI2019

Solid-phase reactive inter-diffusion of Mg/B multilayers

A better understanding of the reaction of Mg and B in the solid-phase regime is needed for the low-temperature synthesis of MgB 2 films. Here in this paper, we study the kinetics of reactive inter-diffusion of Mg and B multilayers on glassy carbon substrates in the temperature range of 400-650°C. Results show that, at these temperatures, inter-diffusion is characterized by a single activation energy of ~0.45eV. The formation of the superconducting MgB 2 phase with critical temperatures of 25–31 K occurs at reaction temperatures of 450°C and above, with the rate of inter-diffusion obeying a power law with a kinetic exponent of ~0.3. This suggests that rate-limiting processes are the nucleation and growth of MgB 2 grains rather than diffusion and interfacial reactions. Implications of these results to the low-temperature synthesis of MgB 2 films are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2002

Characterizing Thermal Properties of Melting Te Semiconductor: Thermal Diffusivity Measurements and Simulation

Tellurium is an element for many II-VI and I-III-VI(sub 2) compounds that are useful materials for fabricating many devices. In the melt growth techniques, the thermal properties of the molten phase are important parameter for controlling growth process to improve semiconducting crystal quality. In this study, thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range from 500 C to 900 C. A pulsed laser with 1064 nm wavelength is focused on one side of the measured sample. The thermal diffusivity can be estimated from the temperature transient at the other side of the sample. A numerical simulation based on the thermal transport process has been also performed. By numerically fitting the experimental results, both the thermal conductivity and heat capacity can be derived. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. The error analysis and the comparison of the results to published data measured by other techniques will be discussed.

Zhu, Shen↗
NASA NTRS2002

Characterizing Thermal Properties of Melting Te Semiconductor: Thermal Diffusivity Measurements and Simulation

Tellurium is an element for many II-VI and I-III-VI(sub 2) compounds that are useful materials for fabricating many devises. In the melt growth techniques, the thermal properties of the molten phase are important parameter for controlling growth process to improve semiconducting crystal quality. In this study, thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range from 500 C to 900 C. A pulsed laser with 1064 nm wavelength is focused on one side of the measured sample. The thermal diffusivity can be estimated from the temperature transient at the other side of the sample. A numerical simulation based on the thermal transport process has been also performed. By numerically fitting the experimental results, both the thermal conductivity and heat capacity can be derived. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. The error analysis and the comparison of the results to published data measured by other techniques will be discussed in the presentation.

Zhu, Shen↗
DOE OSTI2021

Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids

Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as nonequilibrium states. A quantitative analysis of inelastic scattering in terms of phonon excitations requires identifying the role of multiphonon processes. Here, we develop an efficient first-principles methodology for calculating the all-phonon quantum mechanical structure factor of solids. We demonstrate our method by obtaining excellent agreement between measurements and calculations of the diffuse scattering patterns of black phosphorus, showing that multiphonon processes play a substantial role. The present approach constitutes a step towards the interpretation of static and time-resolved electron, x-ray, and neutron inelastic scattering data.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Magnetosphere-Ionosphere Energy Interchange in the Electron Diffuse Aurora

The diffuse aurora has recently been shown to be a major contributor of energy flux into the Earth's ionosphere. Therefore, a comprehensive theoretical analysis is required to understand its role in energy redistribution in the coupled ionosphere-magnetosphere system. In previous theoretical descriptions of precipitated magnetospheric electrons (E is approximately 1 keV), the major focus has been the ionization and excitation rates of the neutral atmosphere and the energy deposition rate to thermal ionospheric electrons. However, these precipitating electrons will also produce secondary electrons via impact ionization of the neutral atmosphere. This paper presents the solution of the Boltzman-Landau kinetic equation that uniformly describes the entire electron distribution function in the diffuse aurora, including the affiliated production of secondary electrons (E greater than 600 eV) and their ionosphere-magnetosphere coupling processes. In this article, we discuss for the first time how diffuse electron precipitation into the atmosphere and the associated secondary electron production participate in ionosphere-magnetosphere energy redistribution.

Diffuse aurora↗
DOE OSTI2020

Morphological–Electrical Property Relation in Cu(In,Ga)(S,Se) 2 Solar Cells: Significance of Crystal Grain Growth and Band Grading by Potassium Treatment

Abstract Solution‐processed Cu(In,Ga)(S,Se) 2 (CIGS) has a great potential for the production of large‐area photovoltaic devices at low cost. However, CIGS solar cells processed from solution exhibit relatively lower performance compared to vacuum‐processed devices because of a lack of proper composition distribution, which is mainly instigated by the limited Se uptake during chalcogenization. In this work, a unique potassium treatment method is utilized to improve the selenium uptake judiciously, enhancing grain sizes and forming a wider bandgap minimum region. Careful engineering of the bandgap grading structure also results in an enlarged space charge region, which is favorable for electron–hole separation and efficient charge carrier collection. Besides, this device processing approach has led to a linearly increasing electron diffusion length and carrier lifetime with increasing the grain size of the CIGS film, which is a critical achievement for enhancing photocurrent yield. Overall, 15% of power conversion efficiency is achieved in solar cells processed from environmentally benign solutions. This approach offers critical insights for precise device design and processing rules for solution‐processed CIGS solar cells.

Kim, Joo‐Hyun↗
NASA NTRSDate not supplied

Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗
DOE OSTI2019

Hydrate-filled Fracture Formation at Keathley Canyon 151, Gulf of Mexico, and Implications for Non-vent Sites

Near-vertical hydrate-filled fractures are found in subseafloor marine muds, at both advective methane vent sites and at sites without obvious methane and fluid advection (non-vent sites). At non-vent sites, the mechanisms that transport methane to the fractures and control how hydrate-filled fractures form are not well understood. However, these mechanisms are important to establish, as most of Earth's natural gas hydrate is likely bound in marine mud systems. In this work, we focus on understanding the origin of hydrate and how fracture form at non-vent sites by examining previously hydrate-bearing fractures in conventional cores taken from Keathley Canyon 151, U.S. northern Gulf of Mexico, drilled by the Gas Hydrate Joint Industry Project in 2005. We combine information from well logs, sediment cores, and science party results and add new X-ray computed tomography of archival sections and scanning electron microcopy of core samples to develop a conceptual model. We propose that locally generated microbial methane is transported via diffusion from small pores in marine mud into biomineralized burrows with larger pore size in a process called short-range migration. Hydrate forms in burrows once the methane diffuses into them and the dissolved methane concentration exceeds the solubility threshold. When hydrate fills a burrow, heave from additional hydrate growth places stress on the burrow edges, expands the fracture, and creates additional void space in which methane can diffuse and continue forming hydrate. Fractures slowly propagate in the direction of maximum principal stress.

58 GEOSCIENCES↗
NASA NTRS1981

EBIC/TEM investigations of process-induced defects in EFG silicon ribbon

Electron bombardment induced conductivity and scanning transmission electron microscopy observations on unprocessed and processed edge-defined film-fed growth ribbon show that the phosphorus diffused junction depth is not uniform, and that a variety of chemical impurities precipitate out during processing. Two kinds of precipitates are found (1) 10 nm or less in size, located at the dislocation nodes in sub-boundary like dislocation arrangements formed during processing and (2) large precipitates, the chemical composition of which has been partially identified. These large precipitates emit dense dislocations tangles into the adjacent crystal volume.

Cunningham, B.↗
DOE OSTI2023

Towards fast, accurate predictions of RF simulations via data-driven modeling: Forward and lateral models

Three machine learning techniques (multilayer perceptron, random forest, and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. A single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time to complete, which is acceptable for many purposes, but too slow for integrated modeling and real-time control applications. More accurate simulations with fast electron diffusion are even slower, requiring multiple hours of run time with parallel processing. The machine learning models use a database of 16,000+ GEN-RAY/CQL3D simulations for training, validation, and testing. Latin hypercube sampling methods implemented in πScope ensure that the database covers the range of 9 input parameters (n e0 , T e0 , I p , B t , R 0 , n ∥︀ , Z e f f , V loop , P LHCD ) with sufficient density in all regions of parameter space. The surrogate models reduce the computation time from minutes-hours to ms with high accuracy across the input parameter space. Data-driven surrogate models also allow for solving inverse and “lateral” problems. A surrogate model for the inverse problem maps from a desired current drive or power deposition profile to a set of input parameters that would result in such a profile, while a surrogate model for the lateral problem maps from a measured experimental quantity such as hard x-ray emission to a current drive or power deposition profile. In conclusion, the πScope database creation workflow is flexible and applicable to other RF simulation codes such as TORIC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Amino Acid Immobilization of Copper Surface Diffusion on Cu(111)

Surface diffusion and molecular self-assembly are two critically important processes in chemistry and nature. Amino acids deposited on a Cu(111) surface driving a separation at the 2D limit between self-assembling molecules and diffusing copper atoms is reported. Since the self-assembling amino acids prefer non-planar, tridentate bonding with neighboring adatoms, they attach to and immobilize diffusing copper adatoms on the surface. This chemical interaction freezes out the copper diffusion causing the condensation of solid copper adatom islands on the surface. Such separation and immobilization are observed for eight different amino acids, suggesting the generality of this phenomenon beyond a single amino acid species. Furthermore, at elevated temperatures, a disruption of the prototypical Ostwald ripening of adatom islands is also observed. Here, these results provide fundamental insight into chiral molecular self-assembly and its interplay with metal atom surface diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Scrambling and thermalization in a diffusive quantum many-body system

Out-of-time ordered (OTO) correlation functions describe scrambling of information in correlated quantum matter. They are of particular interest in incoherent quantum systems lacking well defined quasi-particles. Thus far, it is largely elusive how OTO correlators spread in incoherent systems with diffusive transport governed by a few globally conserved quantities. Here, we study the dynamical response of such a system using high-performance matrix-product-operator techniques. Specifically, we consider the non-integrable, one-dimensional Bose–Hubbard model in the incoherent high-temperature regime. Our system exhibits diffusive dynamics in time-ordered correlators of globally conserved quantities, whereas OTO correlators display a ballistic, light-cone spreading of quantum information. The slowest process in the global thermalization of the system is thus diffusive, yet information spreading is not inhibited by such slow dynamics. We furthermore develop an experimentally feasible protocol to overcome some challenges faced by existing proposals and to probe time-ordered and OTO correlation functions. As a result, our study opens new avenues for both the theoretical and experimental exploration of thermalization and information scrambling dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Research on gallium arsenide diffused junction solar cells

The feasibility of using bulk GaAs for the fabrication of diffused junction solar cells was determined. The effects of thermal processing of GaAs was studied, and the quality of starting bulk GaAs for this purpose was assessed. These cells are to be made by open tube diffusion techniques, and are to be tested for photovoltaic response under AMO conditions.

Borrego, J. M.↗
DOE OSTI2023

A Probabilistic Scheme for Semilinear Nonlocal Diffusion Equations with Volume Constraints

This work presents a probabilistic scheme for solving semilinear nonlocal diffusion equations with volume constraints and integrable kernels. The nonlocal model of interest is defined by a time-dependent semilinear partial integro-differential equation (PIDE), in which the integro-differential operator consists of both local convection-diffusion and nonlocal diffusion operators. Here, our numerical scheme is based on the direct approximation of the nonlinear Feynman–Kac formula that establishes a link between nonlinear PIDEs and stochastic differential equations. The exploitation of the Feynman–Kac representation avoids solving dense linear systems arising from nonlocal operators. Compared with existing stochastic approaches, our method can achieve first-order convergence after balancing the temporal and spatial discretization errors, which is a significant improvement of existing probabilistic/stochastic methods for nonlocal diffusion problems. Error analysis of our numerical scheme is established. The effectiveness of our approach is shown in two numerical examples. The first example considers a three-dimensional nonlocal diffusion equation to numerically verify the error analysis results. The second example presents a physics problem motivated by the study of heat transport in magnetically confined fusion plasmas.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Multiphysics and Multiscale Modeling of Coupled Transport of Chloride Ions in Concrete

Chloride ions (Cl−)-induced corrosion is one of the main degradation mechanisms in reinforced concrete (RC) structures. In most situations, the degradation initiates with the transport of Cl− from the surface of the concrete towards the reinforcing steel. The accumulation of Cl− at the steel-concrete interface could initiate reinforcement corrosion once a threshold Cl− concentration is achieved. An accurate numerical model of the Cl− transport in concrete is required to predict the corrosion initiation in RC structures. However, existing numerical models lack a representation of the heterogenous concrete microstructure resulting from the varying environmental conditions and the indirect effect of time dependent temperature and relative humidity (RH) on the water adsorption and Cl− binding isotherms. In this study, a numerical model is developed to study the coupled transport of Cl− with heat, RH and oxygen (O2) into the concrete. The modeling of the concrete microstructure is performed using the Virtual Cement and Concrete Testing Laboratory (VCCTL) code developed by the U.S. National Institute of Standards and Technology (NIST). The concept of equivalent maturation time is utilized to eliminate the limitation of simulating concrete microstructure using VCCTL in specific environmental conditions such as adiabatic. Thus, a time-dependent concrete microstructure, which depends on the hydration reactions coupled with the temperature and RH of the environment, is achieved to study the Cl− transport. Additionally, Cl− binding isotherms, which are a function of the pH of the concrete pore solution, Cl− concentration, and weight fraction of mono-sulfate aluminate (AFm) and calcium-silicate-hydrate (C-S-H), obtained from an experimental study by the same authors are utilized to account for the Cl− binding of cement hydration products. The temperature dependent RH diffusion was considered to account for the transport of Cl− with moisture transport. The temperature and RH diffusion in the concrete domain, composite theory, and Cl− binding and water adsorption isotherms are used in combination, to estimate the ensuing Cl− diffusion field within the concrete. The coupled transport process of heat, RH, Cl−, and O2 is implemented in the Multiphysics Object-Oriented Simulation Environment (MOOSE) developed by the U.S. Idaho National Laboratory (INL). The model was verified and validated using data from multiple experimental studies with different concrete mixture proportions, curing durations, and environmental conditions. Additionally, a sensitivity analysis was performed to identify that the water-to-cement (w/c) ratio, the exposure duration, the boundary conditions: temperature, RH, surface Cl− concentration, Cl− diffusion coefficient in the capillary water, and the critical RH are the important parameters that govern the Cl− transport in RC structures. In a case study, the capabilities of the developed numerical model are demonstrated by studying the complex 2D diffusion of Cl− in a RC beam located in two different climatic regions: warm and humid weather in Galveston, Texas, and cold and dry weather in North Minnesota, Minnesota, subjected to time varying temperature, RH, and surface Cl− concentrations.

composite theory↗