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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Disentangling atmospheric, hydrological, and coupling uncertainties in compound flood modeling within a coupled Earth system model

Compound riverine and coastal flooding is usually driven by complex interactions among meteorological, hydrological, and ocean extremes. However, existing efforts to model this phenomenon often do not integrate hydrological processes across atmosphere–land–river–ocean systems, leading to substantial uncertainties that have not been fully examined. To bridge this gap, we leverage the new capabilities of the Energy Exascale Earth System Model (E3SM) that enable a multi-component framework that integrates coastally refined atmospheric, terrestrial, and oceanic components. We evaluate compound uncertainties arising from two-way land–river–ocean coupling in E3SM and track the cascading meteorological and hydrological uncertainties through ensemble simulations over the Delaware River basin and estuary during Hurricane Irene (2011). Our findings highlight the importance of two-way river–ocean coupling to compound flood modeling and demonstrate E3SM's capability in capturing compound flood extent near the coast, with a hit rate over 0.75. Our study shows the growing uncertainties that transition from atmospheric forcings to flood distribution and severity. Furthermore, an analysis based on artificial neural networks is used to assess the roles of hydrological drivers, such as infiltration and soil moisture, in the generation of compound flooding. The response of compound floods to tropical cyclones (TCs) is found to be susceptible to these often overlooked drivers. For instance, the flooded area could increase more than 2-fold (∼2.4) if Hurricane Irene were preceded by an extreme antecedent soil moisture condition (AMC). The results not only support the use of a multi-component framework for interactive flooding processes, but also underscore the necessity of broader definitions of compound flooding that encompass the simultaneous occurrence of intense precipitation, storm surge, and high AMC during TCs.

Feng, Dongyu [Pacific Northwest National Laborator↗
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↗