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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Floquet and coupled-waves analysis of higher-order Bragg coupling in a periodic medium

The paper considers wave propagation in longitudinally periodic media near the first- and higher-order Bragg resonances. An extended coupled-waves (ECW) approach is applied to media with single or multiharmonic periodicities and is numerically compared with the Floquet theory. The ECW approach predicts coupling coefficients that vary as the magnitude of the perturbation raised to the power of the Bragg order. Explicit expressions are also given for the band-gap width and band-gap shift for all Bragg orders. A number of applications are discussed.

Jaggard, D. L.↗
NASA NTRS1992

A comparison of the coupled cluster and internally contracted averaged coupled-pair functional levels of theory for the calculation of the MCH2(+) binding energies for M = Sc to Cu

The correlation contribution to the M-C binding energy for the MCH2(+) systems can exceed 100 kcal/mol. At the self-consistent field (SCF) level, these systems can be more than 50 kcal/mol above the fragment energies. In spite of the poor zeroth-order reference, the coupled cluster single and double excitation method with a perturbational estimate of triple excitations, CCSD(T), method is shown to provide an accurate description of these systems. The maximum difference between the CCSD(T) and internally contracted averaged coupled-pair functional binding energies is 1.5 kcal/mol for CrCH2(+), with the remaining systems agreeing to within 1.0 kcal/mol.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1993

Session on coupled atmospheric/chemistry coupled models

The session on coupled atmospheric/chemistry coupled models is reviewed. Current model limitations, current issues and critical unknowns, and modeling activity are addressed. Specific recommendations and experimental strategies on the following are given: multiscale surface layer - planetary boundary layer - chemical flux measurements; Eulerian budget study; and Langrangian experiment. Nonprecipitating cloud studies, organized convective systems, and aerosols - heterogenous chemistry are also discussed.

Thompson, Anne↗
NASA NTRS2001

Magnetosphere-Regolith/Exosphere Coupling: Differences and Similarities to the Earth Magnetosphere-Ionosphere Coupling

Of the three Mercury passes made by Mariner 10, the first and third went through the Mercury magnetosphere. The third encounter which occurred during northward IMF (interplanetary magnetic field) showed quiet time magnetic fields. In contrast the third encounter observed clear substorm signatures including dipolarization, field-aligned currents (FACs) and injection of energetic electrons at geosynchronous orbit. However, the determined cross-tail potential drop and the assumed height integrated conductance indicate that the FAC should be 2-50 times weaker than observed. We address this inconsistency and the fundamental problem of FAC closure whether this takes place in the regolith or in the exosphere. The current state of knowledge of the magnetosphere-exosphere/regolith coupling is addressed and similarities and differences to the Earth magnetosphere-ionosphere coupling are discussed.

Gjerleov, J. W.↗
DOE OSTI2026

Methyl Viologen Lead Iodide for Photocatalytic Reductive Coupling of Aromatic Carbonyls via Proton-Coupled Electron Transfer

Organic–inorganic metal halides (OIMHs) have emerged as promising photocatalysts for organic transformations due to their excellent optoelectronic properties. However, their instability, particularly under protic conditions, has limited their broader applications. Here, we report that a facilely prepared methyl viologen lead iodide (MVPb 2 I 6 ) powder can efficiently catalyze the visible-light-driven reductive coupling of aromatic aldehydes and ketones in protic solvents. Remarkably, MVPb 2 I 6 retains its structural integrity after photoreduction, highlighting its robustness. These results suggest that incorporating quaternary pyridinium cations into the OIMHs can enhance their stability and expand their applicability in photocatalytic organic synthesis.

organic-inorganic hybrid composites↗
NASA NTRS1993

On the coupling between the lower and the upper thermosphere during the first lower thermosphere coupling study

The study reports simultaneous observations of the neutral winds and temperatures and electron densities in the upper and lower thermosphere. The measurements were made at Arecibo and Millstone Hill during the first Lower Thermosphere Coupling Study (LTCS 1) campaign in September 1987. The observations show much day-to-day variability, possibly due to the geomagnetic activity which occurred during the period; storm effects are discernible in the data at low altitudes even at low latitudes. Simulations of the low and midlatitudes did not substantially improve with the use of lower boundary conditions derived from the measurements. The model predicts that diurnal waves are not negligible in analysis of lower thermosphere data; near 100 km the diurnal wave amplitudes of the meridional waves were predicted to be greater than the semidiurnal.

Fesen, C. G.↗
NASA NTRS2014

Effects on Calculated Half-Widths and Shifts from the Line Coupling for Asymmetric-Top Molecules

The refinement of the Robert-Bonamy formalism by considering the line coupling for linear molecules developed in our previous studies [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013); 140, 104304 (2014)] have been extended to asymmetric-top molecules. For H2O immersed in N2 bath, the line coupling selection rules applicable for the pure rotational band to determine whether two specified lines are coupled or not are established. Meanwhile, because the coupling strengths are determined by relative importance of off-diagonal matrix elements versus diagonal elements of the operator -iS1 -S2, quantitative tools are developed with which one is able to remove weakly coupled lines from consideration. By applying these tools, we have found that within reasonable tolerances, most of the H2O lines in the pure rotational band are not coupled. This reflects the fact that differences of energy levels of the H2O states are pretty large. But, there are several dozen strongly coupled lines and they can be categorized into different groups such that the line couplings occur only within the same groups. In practice, to identify those strongly coupled lines and to confine them into sub-linespaces are crucial steps in considering the line coupling. We have calculated half-widths and shifts for some groups, including the line coupling. Based on these calculations, one can conclude that for most of the H2O lines, it is unnecessary to consider the line coupling. However, for several dozens of lines, effects on the calculated half-widths from the line coupling are small, but remain noticeable and reductions of calculated half-widths due to including the line coupling could reach to 5%. Meanwhile, effects on the calculated shifts are very significant and variations of calculated shifts could be as large as 25%.

formalism↗
NASA NTRS2017

Coupled Data Assimilation for Integrated Earth System Analysis and Prediction: Goals, Challenges, and Recommendations

The purpose of this report is to identify fundamental issues for coupled data assimilation (CDA), such as gaps in science and limitations in forecasting systems, in order to provide guidance to the World Meteorological Organization (WMO) on how to facilitate more rapid progress internationally. Coupled Earth system modeling provides the opportunity to extend skillful atmospheric forecasts beyond the traditional two-week barrier by extracting skill from low-frequency state components such as the land, ocean, and sea ice. More generally, coupled models are needed to support seamless prediction systems that span timescales from weather, subseasonal to seasonal (S2S), multiyear, and decadal. Therefore, initialization methods are needed for coupled Earth system models, either applied to each individual component (called Weakly Coupled Data Assimilation - WCDA) or applied the coupled Earth system model as a whole (called Strongly Coupled Data Assimilation - SCDA). Using CDA, in which model forecasts and potentially the state estimation are performed jointly, each model domain benefits from observations in other domains either directly using error covariance information known at the time of the analysis (SCDA), or indirectly through flux interactions at the model boundaries (WCDA). Because the non-atmospheric domains are generally under-observed compared to the atmosphere, CDA provides a significant advantage over single-domain analyses. Next, we provide a synopsis of goals, challenges, and recommendations to advance CDA: Goals: (a) Extend predictive skill beyond the current capability of NWP (e.g. as demonstrated by improving forecast skill scores), (b) produce physically consistent initial conditions for coupled numerical prediction systems and reanalyses (including consistent fluxes at the domain interfaces), (c) make best use of existing observations by allowing observations from each domain to influence and improve the full earth system analysis, (d) develop a robust observation-based identification and understanding of mechanisms that determine the variability of weather and climate, (e) identify critical weaknesses in coupled models and the earth observing system, (f) generate full-field estimates of unobserved or sparsely observed variables, (g) improve the estimation of the external forcings causing changes to climate, (h) transition successes from idealized CDA experiments to real-world applications. Challenges: (a) Modeling at the interfaces between interacting components of coupled Earth system models may be inadequate for estimating uncertainty or error covariances between domains, (b) current data assimilation methods may be insufficient to simultaneously analyze domains containing multiple spatiotemporal scales of interest, (c) there is no standardization of observation data or their delivery systems across domains, (d) the size and complexity of many large-scale coupled Earth system models makes it is difficult to accurately represent uncertainty due to model parameters and coupling parameters, (e) model errors lead to local biases that can transfer between the different Earth system components and lead to coupled model biases and long-term model drift, (e) information propagation across model components with different spatiotemporal scales is extremely complicated, and must be improved in current coupled modeling frameworks, (h) there is insufficient knowledge on how to represent evolving errors in non-atmospheric model components (e.g. as sea ice, land and ocean) on the timescales of NWP.

CDA↗
DOE OSTI2025

Radiative corrections relating leptoquark-fermion couplings probed at low and high energy

Scalar leptoquarks (LQ) with masses between 2 TeV and 50 TeV are prime candidates to explain deviations between measurements and Standard-Model predictions in decay observables of b-flavored hadrons (“flavor anomalies”). Explanations of low-energy data often involve $\mathcal{O}$ (1) LQ-quark-lepton Yukawa couplings, especially when collider bounds enforce a large LQ mass. This calls for the calculation of radiative corrections involving these couplings. Studying such corrections to LQ-mediated b → cτν and b → sℓ + ℓ − amplitudes, we find that they can be absorbed into finite renormalizations of the LQ Yukawa couplings. If one wants to use Yukawa couplings extracted from low-energy data for the prediction of on-shell LQ decay rates, one must convert the low-energy couplings to their high-energy counterparts, which subsume the corrections to the on-shell LQ-quark-lepton vertex. We present compact formulae for these correction factors and find that in scenarios with S 1 , R 2 , or S 3 LQ the high-energy coupling is always smaller than the low-energy one, which weakens the impact of collider data on the determination of the allowed parameter spaces. For the R 2 scenario addressing b → cτν, in which one of the two involved Yukawa coupling must be significantly larger than 1, we find this coupling reduced by 15% at high energy. If both S 1 and R 2 are present, the high-energy coupling can also be larger and the size of the correction is unbounded, because tree contribution and vertex corrections involve different couplings. We further present the conversion formula to the $\overline{MS}$ scheme for the Yukawa couplings of the S 3 scenario.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2004

Ring Current Electrodynamic Coupling

In this talk we will address the two primary issues of ring current (RC) electrodynamic coupling: 1. RC self-consistent coupling with electromagnetic ion cyclotron (EMIC) waves (small scale electrodynamic coupling); and 2. RC self-consistent magnetosphere-ionosphere coupling that includes calculation of the magnetospheric electric field (large scale electrodynamic coupling). Our study will be based on two RC models that we have recently developed in our group. The first model by Khazanov et al. [2002, 20031 couples the system of two kinetic equations: one equation which describes the RC ion dynamics and another equation which describes the energy density evolution of EMIC waves. The second model by Khazanov et al. [2003] deals with large scale electrodynamic coupling processes and provides a self-consistent simulation of RC ions, electrons and the magnetospheric electric field. There is presently no model that addresses both of these issues simultaneously in a self-consistent calculation. However, the need exists for such a model, because these two processes directly influence each other, with the mesoscale coupling changing the drift paths of the thermal and energetic particle populations in the inner magnetosphere, thereby changing the wave interactions, and the microscale coupling altering the pitch angle distributions and ionospheric conductivities (through increased precipitation), thus changing the field-aligned currents and electric potential structure. The initial thrust of the work will be the development of a combined kinetic model of micro- and meso-scale RC electrodynamic coupling processes and to examine their interactions with each other on a global scale. We also discuss the nonlinear coupling of EMIC and lower hybrid waves in the RC region during the May 2-7, 1998 storm period.

Khazanov, G. V.↗
DOE OSTI2025

BlueCRAB Domain Overlapping Coupling: Theory & Verification

Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2024

Deducing Land-Atmosphere Coupling Regimes from SMAP Soil Moisture

In recent years, there has been a growing recognition of the significance of Land-Atmosphere (L-A) interactions and feedback mechanisms in understanding and predicting Earth’s water and energy cycles. Soil moisture plays a critical role in mediating the strength of L-A interactions and is important for understanding the complex and governing processes across this interface. This study aims to identify the significance of soil moisture in identifying L-A coupling strength within the Convective Triggering Potential (CTP) and Humidity Index (HI) framework. To address this, a consistent and reliable dataset of atmospheric profiles is created by merging CTP and HI using Triple Collocation (TC) with three reanalysis datasets. The merged CTP and HI product demonstrates enhanced performance globally as compared to the individual datasets when validated with radiosonde and satellite observations. This merged product of CTP and HI is then used to compare the L-A coupling strength based on Soil Moisture Active Passive Level 3 (SMAPL3) and SMAP Level 4 (SMAPL4) over two decades (2003-2022) where L-A coupling strength is defined as the persistence probability within the dry and wet coupling regimes. Results indicate that the persistency-based coupling strength is related to the ability of soil moisture to predict future atmospheric humidity and dry vs. wet coupling state. The coupling strength in SMAPL4 is consistently stronger than in SMAPL3 and is likely due to its reliance on a land surface model and reduced susceptibility to random noise. The difference in coupling strength based on the same CTP-HI underscores the importance of soil moisture data in estimating coupling strength within the CTP-HI framework. These findings lay the groundwork for understanding the role of L-A interactions and drought evolution due to soil moisture variations, by providing insight into the quantification of coupling strength and its role in drought monitoring and forecast efforts.

Land-atmosphere coupling↗
NASA NTRS1995

Feasibility of Coupling Between a Single-Mode Elliptical-Core Fiber and a Single Mode Rib Waveguide Over Temperature

To determine the feasibility of coupling the output of an optical fiber to a rib waveguide in a temperature environment ranging from 20 C to 300 C, a theoretical calculation of the coupling efficiency between the two was investigated. This is a significant problem which needs to be addressed to determine whether an integrated optic device can function in a harsh temperature environment. Because the behavior of the integrated-optic device is polarization sensitive, a polarization-preserving optic fiber, via its elliptical core, was used to couple light with a known polarization into the device. To couple light energy efficiently from an optical fiber into a channel waveguide, the design of both components should provide for well-matched electric field profiles. The rib waveguide analyzed was the light input channel of an integrated-optic pressure sensor. Due to the complex geometry of the rib waveguide, there is no analytical solution to the wave equation for the guided modes. Approximation or numerical techniques must be utilized to determine the propagation constants and field patterns of the guide. In this study, three solution methods were used to determine the field profiles of both the fiber and guide: the effective-index method (EIM), Marcatili's approximation, and a Fourier method. These methods were utilized independently to calculate the electric field profile of a rib channel waveguide and elliptical fiber at two temperatures, 20 C and 300 C. These temperatures were chosen to represent a nominal and a high temperature that the device would experience. Using the electric field profile calculated from each method, the theoretical coupling efficiency between the single-mode optical fiber and rib waveguide was calculated using the overlap integral and results of the techniques compared. Initially, perfect alignment was assumed and the coupling efficiency calculated. Then, the coupling efficiency calculation was repeated for a range of transverse offsets at both temperatures. Results of the calculation indicate a high coupling efficiency can be achieved when the two components were properly aligned. The coupling efficiency was more sensitive to alignment offsets in the y direction than the x, due to the elliptical modal profile of both components. Changes in the coupling efficiency over temperature were found to be minimal.

Tuma, Margaret L.↗