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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Radiation Effects on Luminescent Coupling in III-V Solar Cells

Advances in the architecture of GaInP solar cells have recently lead to ~21% conversion efficiencies under the global spectrum due to high radiative efficiencies, and the resulting strong luminescent coupling in GaInP/GaAs tandems has lead to record dual-junction efficiencies. The suitability of these newer GaInP cells to space applications has not been examined, however. Here we present a study to compare the radiation hardness of rear-heterojunction and more traditional GaInP junctions and the resulting luminescent coupling. Pairs of GaInP/GaAs tandem cells were irradiated with 1 MeV electrons at fluences up to 1015 e/cm2. The cells were thoroughly characterized, before and after irradiation, by measuring the quantum efficiency, IV characteristics, electroluminescence and luminescent coupling. We find the luminescent coupling to be unchanged below ~1013 e/cm2, and to decrease to zero by 1015 e/cm2. For all fluence levels, the rear heterojunction structure had a higher coupling constant than the front junction structure. Despite these advantages, the efficiency degraded at the same rate for both structures.

14 SOLAR ENERGY↗
DOE OSTI2020

Minimizing Timing Jitter’s Impact on Ground-Penetrating Radar Array Coupling Signals

This article presents a novel investigation into the effect of receiver timing jitter on the quality of imaging of ground-penetrating radar systems. We explicitly show the impact of timing jitter throughout an entire example processing pipeline. The process of coupling removal in systems whose receivers have a random Gaussian-distributed jitter with a high standard deviation leaves randomly distributed residue in the radar image. This residue, called jitter-induced coupling noise, extends even into the expected target domain which may cause false alarms. This residue approximately follows a sum of Gaussian and Gamma distributions based on the higher order derivatives of the coupling signal. Once migrated to create an image, the coupling residue is best described by a Weibull distribution. We show that simple filtering does not remove enough residue and propose two preventative design specifications called the linear slope and migrated probability specifications. Antenna and system designers should use these specifications to assess the true severity of coupling signals in a given jitter environment.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Spatial-symmetry-induced dark states and charge trapping effects in the coupled quantum dots

In a system of N interacting single-level quantum dots (QDs), we study the relaxation dynamics and the current–voltage characteristics determined by symmetry properties of the QD arrangement. Different numbers of dots, initial charge configurations, and various coupling regimes to reservoirs are considered. We reveal that effective charge trapping occurs for particular regimes of coupling to the reservoir when more than two dots form a ring structure with the C{sub N} spatial symmetry. We reveal that the effective charge trapping caused by the C{sub N} spatial symmetry of N coupled QDs depends on the number of dots and the way of coupling to the reservoirs. We demonstrate that the charge trapping effect is directly connected with the formation of dark states, which are not coupled to reservoirs due to the system spatial symmetry C{sub N}. We also reveal the symmetry blockade of the tunneling current caused by the presence of dark states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electron–Phonon Coupling in Eliashberg–McMillan Theory Beyond Adiabatic Approximation

Eliashberg–McMillan theory of superconductivity is essentially based on the adiabatic approximation. Small parameter of perturbation theory is given by λ((Ω{sub 0})/(E{sub F})) ≪ 1, where λ is the dimensionless electron–phonon coupling constant, Ω{sub 0} is characteristic phonon frequency, while E{sub F} is Fermi energy of electrons. Here we present an attempt to describe the electron–phonon interaction within Eliashberg–McMillan approach in situation, when characteristic phonon frequency Ω{sub 0} becomes large enough (comparable to, or exceeding, the Fermi energy E{sub F}). We consider the general definition of electron–phonon pairing coupling constant λ, taking into account the finite value of phonon frequency. Also, we obtain the simple expression for generalized coupling constant λ-tilde that determines the mass renormalization, with the account of finite width of conduction band, which describes the smooth transition from the adiabatic regime to the region of strong nonadiabaticity. In the case of strong nonadiabaticity, when Ω{sub 0} ≫ E{sub F}, the new small parameter appears, λ((E{sub F})/(Ω{sub 0})) ~ λ(D/(Ω{sub 0})) ≪ 1 (D is conduction band half-width), and corrections to electronic spectrum become irrelevant. At the same time, the temperature of superconducting transition T{sub c} in antiadiabatic limit is still determined by Eliashberg–McMillan coupling constant λ, while the preexponential factor in the expression for T{sub c}, conserving the form typical of weak-coupling theory, is determined by the bandwidth (Fermi energy). For the case of interaction with a single optical phonon, we derive the single expression for T{sub c}, valid both in adiabatic and antiadiabatic regimes and describing the continuous transition between these two limiting cases. The results obtained are discussed in the context of superconductivity in FeSe/STO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

On the Use of Coupled Wind, Wave, and Current Fields in the Simulation of Loads on Bottom-Supported Offshore Wind Turbines during Hurricanes: March 2012 - September 2015

In the United States, potential offshore wind plant sites have been identified along the Atlantic seaboard and in the Gulf of Mexico. It is imperative that we define external conditions associated with hurricanes and severe winter storms and consider load cases for which wind turbines may need to be designed. We selected two hurricanes, Ike (2008) and Sandy (2012), and investigated the effect these tropical storms would have on bottom-supported offshore wind turbines that were hypothetically in or close to their path as they made landfall. For realistic turbine loads assessment, it is important that the coupled influences of the changing wind, wave, and current fields are simulated throughout the evolution of the hurricanes. We employed a coupled model--specifically, the University of Miami Coupled Model (UMCM)--that integrates atmospheric, wave, and ocean components to produce needed wind, wave, and current data. The wind data are used to generate appropriate vertical wind profiles and full wind velocity fields including turbulence; the current field over the water column is obtained by interpolated discrete output current data; and short-crested irregular second-order waves are simulated using output directional wave spectra from the coupled model. We studied two monopile-supported offshore wind turbines sited in 20 meters of water in the Gulf of Mexico to estimate loads during Hurricane Ike, and a jacket space-frame platform-supported offshore wind turbine sited in 50 meters of water in the mid-Atlantic region to estimate loads during Hurricane Sandy. In this report we discuss in detail how the simulated hurricane wind, wave, and current output data are used in turbine loads studies. In addition, important characteristics of the external conditions are studied, including the relative importance of swell versus wind seas, aerodynamic versus hydrodynamic forces, current velocity effects, yaw control options for the turbine, hydrodynamic drag versus inertia forces, and soil-structure interaction effects. A detailed framework is presented that explains how coupled inputs can be included in turbine loads studies during a hurricane. This framework can aid in future efforts aimed at developing offshore wind turbine design criteria and load cases related to hurricanes.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

SIERRA Code Coupling Module: Arpeggio User Manual (V.4.5)

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested in coupled applications via simple examples of its usage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Overlapping Domain Coupling of Multidimensional and System Codes in NEAMS - Pronghorn and SAM

This report describes the implementation and testing of domain-overlapping coupling of the Pronghorn and SAM codes. Both Pronghorn and SAM are codes developed by the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program for analysis of advanced nuclear reactors. Pronghorn focuses on analyzing multi-dimensional core flow conditions, while SAM focuses on analysis of the entire system including, among other components, piping, pumps, and heat exchangers. It is desirable for many advanced reactor thermal-hydraulics simulations to couple Pronghorn and SAM to obtain self-consistent solutions in the core and the system. The domain-overlapping coupling approach provides a robust and numerically efficient candidate for this coupling. We describe the algorithm for obtaining self-consistent solutions between a SAM network of flow channels and an overlapped multi-dimensional Pronghorn domain. The algorithm is tested for a variety of simple canonical test problems and a model of the Molten Salt Reactor Experiment (MSRE). Results demonstrate that the domain overlapping coupling approach provides consistent pressure, mass flow rate, enthalpy, and passive scalar distributions between Pronghorn and SAM and converges reliably and efficiently (at most 15 iterations, usually much less than 10) for the considered test problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Molecular Dynamic Studies of Dye–Dye and Dye–DNA Interactions Governing Excitonic Coupling in Squaraine Aggregates Templated by DNA Holliday Junctions

Dye molecules, arranged in an aggregate, can display excitonic delocalization. The use of DNA scaffolding to control aggregate configurations and delocalization is of research interest. Here, we applied Molecular Dynamics (MD) to gain an insight on how dye–DNA interactions affect excitonic coupling between two squaraine (SQ) dyes covalently attached to a DNA Holliday junction (HJ). We studied two types of dimer configurations, i.e., adjacent and transverse, which differed in points of dye covalent attachments to DNA. Three structurally different SQ dyes with similar hydrophobicity were chosen to investigate the sensitivity of excitonic coupling to dye placement. Each dimer configuration was initialized in parallel and antiparallel arrangements in the DNA HJ. The MD results, validated by experimental measurements, suggested that the adjacent dimer promotes stronger excitonic coupling and less dye–DNA interaction than the transverse dimer. Additionally, we found that SQ dyes with specific functional groups (i.e., substituents) facilitate a closer degree of aggregate packing via hydrophobic effects, leading to a stronger excitonic coupling. This work advances a fundamental understanding of the impacts of dye–DNA interactions on aggregate orientation and excitonic coupling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Photocrosslinking Probes Proximity of Thymine Modifiers Tethering Excitonically Coupled Dye Aggregates to DNA Holliday Junction

A DNA Holliday junction (HJ) has been used as a versatile scaffold to create a variety of covalently templated molecular dye aggregates exhibiting strong excitonic coupling. In these dye-DNA constructs, one way to attach dyes to DNA is to tether them via single long linkers to thymine modifiers incorporated in the core of the HJ. Here, using photoinduced [2 + 2] cycloaddition (photocrosslinking) between thymines, we investigated the relative positions of squaraine-labeled thymine modifiers in the core of the HJ, and whether the proximity of thymine modifiers correlated with the excitonic coupling strength in squaraine dimers. Photocrosslinking between squaraine-labeled thymine modifiers was carried out in two distinct types of configurations: adjacent dimer and transverse dimer. The outcomes of the reactions in terms of relative photocrosslinking yields were evaluated by denaturing polyacrylamide electrophoresis. We found that for photocrosslinking to occur at a high yield, a synergetic combination of three parameters was necessary: adjacent dimer configuration, strong attractive dye–dye interactions that led to excitonic coupling, and an A-T neighboring base pair. The insight into the proximity of dye-labeled thymines in adjacent and transverse configurations correlated with the strength of excitonic coupling in the corresponding dimers. To demonstrate a utility of photocrosslinking, we created a squaraine tetramer templated by a doubly crosslinked HJ with increased thermal stability. These findings provide guidance for the design of HJ-templated dye aggregates exhibiting strong excitonic coupling for exciton-based applications such as organic optoelectronics and quantum computing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Improving climate model coupling through a complete mesh representation: a case study with E3SM (v1) and MOAB (v5.x)

One of the fundamental factors contributing to the spatiotemporal inaccuracy in climate modeling is the mapping of solution field data between different discretizations and numerical grids used in the coupled component models. The typical climate computational workflow involves evaluation and serialization of the remapping weights during the preprocessing step, which is then consumed by the coupled driver infrastructure during simulation to compute field projections. Tools like Earth System Modeling Framework (ESMF) and TempestRemap offer capability to generate conservative remapping weights, while the Model Coupling Toolkit (MCT) that is utilized in many production climate models exposes functionality to make use of the operators to solve the coupled problem. However, such multistep processes present several hurdles in terms of the scientific workflow and impede research productivity. In order to overcome these limitations, we present a fully integrated infrastructure based on the Mesh Oriented datABase (MOAB) library, which allows for a complete description of the numerical grids and solution data used in each submodel. Through a scalable advancing-front intersection algorithm, the supermesh of the source and target grids are computed, which is then used to assemble the high-order, conservative, and monotonicity-preserving remapping weights between discretization specifications. The Fortran-compatible interfaces in MOAB are utilized to directly link the submodels in the Energy Exascale Earth System Model (E3SM) to enable online remapping strategies in order to simplify the coupled workflow process. We demonstrate the superior computational efficiency of the remapping algorithms in comparison with other state-of-the-science tools and present strong scaling results on large-scale machines for computing remapping weights between the spectral element atmosphere and finite volume discretizations on the polygonal ocean grids.

58 GEOSCIENCES↗
DOE OSTI2026

Implementation of a Three-Dimensional Planetary Boundary Layer Parameterization in a Coupled Modeling System and Evaluation of "Gray Zone" Simulations of a Wind-Wave Event Off the US California Coast Using Observations

A three-dimensional (3D) planetary boundary layer (PBL) parameterization was added to the Coupled Ocean Atmosphere Wave Sediment Transport (COAWST) model and the first coupled atmosphere/wave "gray zone" simulations were carried out using the 3D PBL parameterization. A case study of a significant wind-wave event from 4-8 November 2020 off the US west coast was examined, with a focus on the impacts of the event within an approximate 280x280 km central California coastal region covering the Bureau of Ocean Energy Management Morro Bay wind energy lease area. Simulations with both one-dimensional (1D; Yonsei University) and 3D PBL parameterizations were examined in this nest with ..delta..x=400 m. Two-way coupling was active, with near-surface winds feeding back to the wave model and bulk wave statistics feeding back to the atmospheric model. Both simulations compared favorably with buoy observations in capturing the timing and magnitude of wind speed, temperature, dewpoint, and significant wave height, as the front associated with the maritime weather system moved southward across coastal California. However, wind speed errors over land were larger. Time series of the vertical profile of winds below z=250 m from the simulations compared favorably with observations from the US Dept. of Energy Morro Bay Doppler lidar buoy. Differences between the coupled 1D and 3D PBL simulations were minor. The most notable difference was that the simulation using the 3D PBL parameterization had approximately 10 % weaker winds at the peak of the event causing 10 % lower significant wave heights. This difference was shown to be mostly due to differences in the vertical mixing treatment between the parameterizations, in particular the nonlocal downward mixing of higher momentum air in the 1D Yonsei University parameterization in convective conditions. Overall, this work demonstrates that the 3D PBL parameterization can be used in a coupled atmosphere/wave modeling framework with similar behaviors as traditional PBL parameterizations that do not provide horizontal turbulent variances and fluxes.

16 TIDAL AND WAVE POWER↗
NASA NTRSDate not supplied

Ares: A Coupling Methodology for Ablation Modeling

To enable modeling of complex and coupled ablation problems, a multi-physics framework is developed. A methodology for modeling shape change in coupled systems is presented. The approach taken to model gas-surface interactions and translate coupled surface phenomena to physically meaningful boundary conditions in the distinct solvers is discussed. Particular emphasis is placed on the nature of coupled boundary conditions pertaining to surface energy and mass balances as well as surface chemistry modeling. The developed methodology is used to simulate a shear test in arc-jet conditions in order to assess the validity of the coupled approach as well as the implementation of the relevant physical processes.

EDL↗
NASA NTRSDate not supplied

Ares: A Coupling Methodology for Ablation Modeling

To enable modeling of complex and coupled ablation problems, a multi-physics framework is developed. A methodology for modeling shape change in coupled systems is presented. The approach taken to model gas-surface interactions and translate coupled surface phenomena to physically meaningful boundary conditions in the distinct solvers is discussed. Particular emphasis is placed on the nature of coupled boundary conditions pertaining to surface energy and mass balances as well as surface chemistry modeling. The developed methodology is used to simulate a shear test in arc-jet conditions in order to assess the validity of the coupled approach as well as the implementation of the relevant physical processes.

EDL↗
DOE OSTI2022

Investigation of the OECD/NEA PWR MOX/UO{sub 2} core transient benchmark using a coupled whole core pin-by-pin route in WIMS

This paper investigates the new CAMELOT coupling route developed in WIMS, which uses prepared tabulated cross-sections combined with the flux solver MERLIN module and the integrated sub-channel thermal hydraulics solver ARTHUR module to solve for the coupled core state. This coupling route is applied to the OECD/NEA pressurized water reactor (PWR) core transient benchmark exercise, involving 3-D neutronics and thermal-hydraulics analysis of a full-sized PWR core featuring MOX fuel at various core states, as well as simulating a control rod ejection transient. Analysis of the results for each part of the benchmark demonstrate that the high-resolution pin-by-pin analysis used in WIMS closely matches the other participants in the benchmark, with differences of between 20-200 pcm for k-effective, 1-2.5% RMS difference for assembly-averaged powers, 2-8% difference in rod worth calculations, < 200 ppm for calculations of critical boron concentration, zero difference in delayed neutron fraction calculation and a very close match for power response to the rod ejection transient. This is the first application of the WIMS-CAMELOT approach for the transient analysis of a full-sized reactor and as such further improvements such as reducing computational cost through parallelization, optimisation and memory reduction, are currently in active development. This paper demonstrates the accuracy and flexibility of the CAMELOT coupling route, providing a straightforward and consistent user image that can be easily used for a variety of modelling problems involving coupled neutronics and thermal-hydraulics. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Development of a calculation framework coupling Monte Carlo neutronics, subchannel thermal-hydraulics and 1.5D fuel thermo-mechanics

A coupled calculation system consisting of the Monte Carlo neutronic solver SERPENT and the fuel behaviour solver TRANSURANUS was extended with the sub-channel thermal-hydraulic solver SUBCHANFLOW to form a coupled calculation framework for multi-physics reactor analyses. The coupling between the 3 solvers was accomplished via a driver program written in Perl that runs the solvers, processes and transfers the output data between the solvers and monitors the convergence. While some features of the coupling are still under development, a steady-state coupled calculation resulting in convergence was performed for a single hexagonal fuel assembly to demonstrate that the base functionalities work as expected. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Coupled reactors analysis: New needs and advances using Monte Carlo methodology

Coupled reactors and the coupling features of large or heterogeneous core reactors can be investigated with the Avery theory that allows a physics understanding of the main features of these systems. However, the complex geometries that are often encountered in association with coupled reactors, require a detailed geometry description that can be easily provided by modern Monte Carlo (MC) codes. This implies a MC calculation of the coupling parameters defined by Avery and of the sensitivity coefficients that allow further detailed physics analysis. The results presented in this paper show that the MC code SERPENT has been successfully modifed to meet the required capabilities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Land-atmosphere coupling manifested in warm-season observations on the U.S. southern great plains

This study examines several observational aspects of land-atmosphere coupling on daily average time scales during warm seasons of the years 1997 to 2008 at the Department of Energy Atmospheric Radiation Measurement Program’s Southern Great Plains (SGP) Central Facility site near Lamont, Oklahoma. Characteristics of the local land-atmosphere coupling are inferred by analyzing the covariability of selected land and atmospheric variables that include precipitation and soil moisture, surface air temperature, relative humidity, radiant and turbulent fluxes, as well as low-level cloud base height and fractional coverage. For both the energetic and hydrological aspects of this coupling, it is found that large-scale atmospheric forcings predominate, with local feedbacks of the land on the atmosphere being comparatively small much of the time. The weak land feedbacks are manifested by 1) the inability of soil moisture to comprehensively impact the coupled land-atmosphere energetics, and 2) the limited recycling of local surface moisture under conditions where most of the rainfall derives from convective cells that originate at remote locations. There is some evidence, nevertheless, of the local land feedback becoming stronger as the soil dries out in the aftermath of precipitation events, or on days when the local boundary-layer clouds are influenced by thermal updrafts known to be associated with convection originating at the surface. Finally, we also discuss potential implications of these results for climate-model representation of regional land-atmosphere coupling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Coupling Spectral-bin Cloud Microphysics with the MOSAIC Aerosol Model in WRF-Chem: Methodology and Results for Marine Stratocumulus Clouds

Aerosol-cloud interaction processes can be represented more physically with bin cloud microphysics relative to bulk microphysical parameterizations. However, due to computational power limitations in the past, bin cloud microphysics was often run with very simple aerosol treatments. The purpose of this study is to represent better aerosol-cloud interaction processes in the Chemistry version of Weather Research and Forecast model (WRF-Chem) at convection-permitting scales by coupling spectral-bin cloud microphysics (SBM) with the MOSAIC sectional aerosol model. A flexible interface is built that exchanges cloud and aerosol information between them. The interface contains a new bin aerosol activation approach, which replaces the treatments in the original SBM. It also includes the modified aerosol resuspension and in-cloud wet removal processes with the droplet loss tendencies and precipitation fluxes from SBM. The newly coupled system is evaluated for two marine stratocumulus cases over the Southeast Pacific Ocean with either a simplified aerosol setup or full-chemistry. We compare the aerosol activation process in the newly-coupled SBM-MOSAIC against the SBM simulation without chemistry using a simplified aerosol setup, and the results show consistent activation rates. A longer time simulation reinforces that aerosol resuspension through cloud drop evaporation plays an important role in replenishing aerosols and impacts cloud and precipitation in marine stratocumulus clouds. Evaluation of the coupled SBM-MOSAIC with full-chemistry using aircraft measurements suggests that the new model works realistically for the marine stratocumulus clouds, and improves the simulation of cloud microphysical properties compared to a simulation using MOSAIC coupled with the Morrison two-moment microphysics.

Gao, Wenhua↗