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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mesoscale Convective Systems Dominate the Energetics of the South Asian Summer Monsoon Onset

The onset of the South Asian summer monsoon (SASM) is featured as an abrupt increase of precipitation and atmospheric column-integrated moist static energy (MSE). Using convection permitting simulations, a novel cloud tracking technique, and an MSE budget, the relative roles of mesoscale convective systems (MCSs) and non-MCS isolated deep convection in the SASM onset are studied. The analysis shows MCSs play a crucial role in the sudden increases of rainfall, diabatic MSE sources, and the subsequent enhanced export of column-integrated MSE during the onset. A “diabatic sources-energy export” plane analysis delineates the different roles of MCSs and non-MCS deep convection in the SASM onset. Although deep convection always leads to a net energy export, mesoscale organization of deep convection dominates the convection associated positive feedbacks that accelerate the energy cycle of the SASM onset. Sensitivity experiment shows that the results are insensitive to the model resolutions.

Chen, Xingchao↗
DOE OSTI2022

Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin–orbit and derivative couplings. Nonadiabatic photodissociation dynamics of NH 3 (A) leading to the NH(X 3 Σ – , a 1 Δ) + H 2 channel

Here we simulate the photodissociation of NH 3 originating from its first excited singlet state S 1 into the NH 2 + H (radical) and NH + H 2 (molecular) channels. The states considered are the ground singlet state S 0 , the first excited singlet state S 1 and the lowest-lying triplet state T 1 , which permit for the first time a uniform treatment of the internal conversion and intersystem crossing. The simulations are based on a diabatic potential energy matrix (DPEM) of S 0 , S 1 coupled by a conical intersection seam, as well as a potential energy surface (PES) for T 1 coupled by spin-orbit coupling (SOC) to the two singlet states. The DPEM and PES are fitted to ab initio electronic structure data (ESD) including energies, energy gradients, and derivative couplings. The DPEM also defines an adiabatic to diabatic state (AtD) transformation, which is used to transform the singular adiabatic SOC into a smooth function of the nuclear coordinates in the diabatic representation, allowing the diabatic SOC to be fit to an analytical functional form. ESD and SOC data obtained from these surfaces can serve as input for either quantum or semi-classical characterization of the nonadiabatic dynamics. Using the SHARC suite of programs, nonadiabatic simulations based on over 40 000 semi-classical trajectories assess the convergence of our results. The production of NH + H 2 is not direct, but is only achieved through a quasi-statistical dissociation mechanism after internal conversion to the ground electronic state. This leads to a much lower yield comparing with the main NH 2 + H channel. The NH(X 3 Σ_) radical produced through the intersystem crossing from S 0 to T 1 is rare (~0.2%) compared to NH(a 1 Δ) due to the process being spin forbidden.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Mechanisms behind the Springtime North Pacific ENSO Teleconnection Bias in Climate Models

Previous studies have shown that models overestimate the strength of ENSO teleconnections to the North Pacific during springtime, but the underlying reasons for this bias remain unknown. Here, in this work, the relative contributions from basic-state and thermodynamic/dynamic forcing factors are disentangled through idealized experiments with the Community Earth System Model and a range of stationary wave modeling experiments. It is revealed that in CESM1 the diabatic heating biases over the tropical Indian Ocean and tropical central-western Pacific jointly favor a cyclonic (anticyclonic) circulation bias to occur in the North Pacific during the springtime of El Niño (La Niña) events. On one hand, the difference in the modeled and observed climatological basic state does not lead to the bias formation directly, as the diabatic heating biases are the primary cause. On the other hand, the springtime basic state is conducive to a more vigorous stationary wave response to the biased diabatic heating than the wintertime state, and this explains why the teleconnection bias occurs during springtime but not in winter. An iterative bias-correction approach is then implemented in the atmospheric model component of CESM1 to verify the linkage between the tropical diabatic heating bias and the teleconnection bias. Moreover, this explanation is shown to be relevant in other models of phase 5 of the Coupled Model Intercomparison Project (CMIP5) as a strong relationship is found between biases in ENSO-related tropical central-western Pacific/Indian Ocean precipitation and North Pacific circulation across models in spring.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

The global residual mean circulation in the middle atmosphere for the northern winter period

The residual mean circulation (rmc) has been calculated from the transformed thermodynamic equation using LIMS (Limb Infrared Monitor of the Stratosphere) data for the 100-0.1 mb region. For discussion, it has been divided into two components: the diabatic circulation, associated with the diabatic heating, and the transient circulation, more directly connected to eddy activity. The slowly varying diabatic circulation reveals an equator-to-pole circulation at lower levels in the stratosphere, usually overlain by a summer-to-winter pole circulation. However, there are strong seasonal variations, so that the pole-to-pole circulation fills the entire region at the December solstice, while the equator-to-pole circulation extends to above 0.1 mb at the equinoxes. The transient circulation is characterized by rapid variations and small vertical and horizontal scales. Though generally smaller than the diabatic circulation, it can dominate in the lower stratosphere during disturbed conditions. This circulation is consistent with the transformed momentum equation in the lower stratosphere (where drag is expected to be small) during undisturbed periods. It suggests a large drag due to small-scale waves (such as gravity waves) in the mesosphere, although the magnitudes are uncertain. The downward propagation of the semiannual oscillation causes the rmc in the tropics to vary, and it is capable of creating the equatorial water vapor maximum above 10 mb.

Gille, John C.↗
NASA NTRS1990

Forecast model applications of retrieved three dimensional liquid water fields

Forecasts are made for tropical storm Emily using heating rates derived from the SSM/I physical retrievals described in chapters 2 and 3. Average values of the latent heating rates from the convective and stratiform cloud simulations, used in the physical retrieval, are obtained for individual 1.1 km thick vertical layers. Then, the layer-mean latent heating rates are regressed against the slant path-integrated liquid and ice precipitation water contents to determine the best fit two parameter regression coefficients for each layer. The regression formulae and retrieved precipitation water contents are utilized to infer the vertical distribution of heating rates for forecast model applications. In the forecast model, diabatic temperature contributions are calculated and used in a diabatic initialization, or in a diabatic initialization combined with a diabatic forcing procedure. Our forecasts show that the time needed to spin-up precipitation processes in tropical storm Emily is greatly accelerated through the application of the data.

Raymond, William H.↗
NASA NTRS1993

The quantum dynamics of electronically nonadiabatic chemical reactions

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.

Truhlar, Donald G.↗
NASA NTRS1995

Short-range precipitation forecasts using assimilation of simulated satellite water vapor profiles and column cloud liquid water amounts

These observing system simulation experiments investigate the assimilation of satellite-observed water vapor and cloud liquid water data in the initialization of a limited-area primitive equations model with the goal of improving short-range precipitation forecasts. The assimilation procedure presented includes two aspects: specification of an initial cloud liquid water vertical distribution and diabatic initialization. The satellite data is simulated for the next generation of polar-orbiting satellite instruments, the Advanced Microwave Sounding Unit (AMSU) and the High-Resolution Infrared Sounder (HIRS), which are scheduled to be launched on the NOAA-K satellite in the mid-1990s. Based on cloud-top height and total column cloud liquid water amounts simulated for satellite data a diagnostic method is used to specify an initial cloud water vertical distribution and to modify the initial moisture distribution in cloudy areas. Using a diabatic initialization procedure, the associated latent heating profiles are directly assimilated into the numerical model. The initial heating is estimated by time averaging the latent heat release from convective and large-scale condensation during the early forecast stage after insertion of satellite-observed temperature, water vapor, and cloud water formation. The assimilation of satellite-observed moisture and cloud water, together withy three-mode diabatic initialization, significantly alleviates the model precipitation spinup problem, especially in the first 3 h of the forecast. Experimental forecasts indicate that the impact of satellite-observed temperature and water vapor profiles and cloud water alone in the initialization procedure shortens the spinup time for precipitation rates by 1-2 h and for regeneration of the areal coverage by 3 h. The diabatic initialization further reduces the precipitation spinup time (compared to adiabatic initialization) by 1 h.

Wu, Xiaohua↗
NASA NTRS1995

Diagnostic calculations of the circulation in the Martian atmosphere

The circulation of the Martian atmosphere during late southern summer is derived from atmospheric temperature and dust distributions retrieved from a subset of the Mariner 9 infrared interferometer spectrometer (IRIS) thermal emission spectra (LS = 343-348 deg) (Santee and Crisp, 1933). Zonal-mean zonal winds are calculated by assuming gradient wind balance and zero surface zonal wind. Both hemispheres have intense midlatitude westerly jets with velocities of 80-90 m/s near 50 km; in the southern tropics the winds are easterly with velocities of 40 m/s near 50 km. The net effect of the zonal-mean meridional circulation and large-scale waves can be approximated by the diabatic ciculation, which is defined from the atmospheric thermal structure and net radiative heating rates. The radiative transfer model described by Crisp (1990) and Santee (1993) is used to compute solar heating and thermal cooling rates from diurnal averages of the retrieved IRIS temperature and dust distributions. At pressures below 4 mbar, there are large net radiative heating rates (up to 5 K/d) in the equatorial region and large net radiative cooling rates (up to 12 K/d) in the polar regions. These net radiative heating rates are used in a diagnostic stream function model which solves for the meridonal and vertical components of the diabatic circulation simultaneously. We find a two cell circulation, with rising motion over the equator, poleward flow in both hemispheres, sinking motion over both polar regions, and return flow in the lowest atmospheric levels. The maximum poleward velocity is 3 m/s in the tropics at approximately 55 km altitude, and the maximum vertical velocity is 2.5 cm/s downward over the north pole at approximately 60 km altitude. If these large transport rates are sustained for an entire season, the Martian atmosphere above the 1-mbar level is overturned in about 38 days. This diabatic circulation is qualitatively similar to the terrestial diabatic circulation at the comparable season, but is more vigorous.

Santee, Michelle L.↗
NASA NTRS1998

Observational and Modeling Studies of Radiative, Chemical, and Dynamical Interactions in the Earth''s Atmosphere

A 3-dimensional model was developed to support mechanistic studies. The model solves the global primitive equations in isentropic coordinates, which directly characterize diabatic processes forcing the Brewer-Dobson circulation of the middle atmosphere. It's numerical formulation is based on Hough harmonics, which partition horizontal motion into its rotational and divergent components. These computational features, along with others, enable 3D integrations to be performed practically on RISC computer architecture, on which they can be iterated to support mechanistic studies. The model conserves potential vorticity quite accurately under adiabatic conditions. Forced by observed tropospheric structure, in which integrations are anchored, the model generates a diabatic circulation that is consistent with satellite observations of tracer behavior and diabatic cooling rates. The model includes a basic but fairly complete treatment of gas-phase photochemistry that represents some 20 chemical species and 50 governing reactions with diurnally-varying shortwave absorption. The model thus provides a reliable framework to study transport and underlying diabatic processes, which can then be compared against chemical and dynamical structure observed and in GCM integrations. Integrations with the Langley GCM were performed to diagnose feedback between simulated convection and the tropical circulation. These were studied in relation to tropospheric properties controlling moisture convergence and environmental conditions supporting deep convection, for comparison against mechanistic integrations of wave CISK that successfully reproduce the Madden-Julian Oscillation (MJO) of the tropical circulation. These comparisons were aimed at identifying and ultimately improving aspects of the convective simulation, with the objective of recovering a successful simulation of the MJO in the Langley GCM, behavior that should be important to budgets of upper-tropospheric water vapor and chemical species.

Salby, Murry↗
NASA NTRS1995

Diagnostic calculations of the circulation in the Martian atmosphere

The circulation of the Martian atmosphere during late southern summer is derived from atmospheric temperature and dust distributions retrieved from a subset of the Mariner 9 infrared interferometer spectrometer (IRIS) thermal emission spectra (L(sub s) = 343-348 deg). Zonal-mean zonal winds are calculated by assuming gradient wind balance and zero surface zonal wind. Both hemispheres have intense midlatitude westerly jets with velocities of 80-90 m/s near 50 km; in the southern tropics the winds are easterly with velocities of 40 m/s near 50 km. The net effect of the zonal mean meridional circulation and large-scale waves can be approximated by the diabatic circulation, which is defined from the atmospheric thermal structure and net radiative heating rates. The radiative transfer model described by Crisp (1990) and Santee (1993) is used to compute solar heating and thermal cooling rates from diurnal averages of the retrieved IRIS temperature and dust distributions. At pressures below 4 mbar, there are large net radiative heating rates (up to 5 K/d) in the equatorial region and large net radiative cooling rates (up to 12 K/d) in the polar regions. These net radiative heating rates are used in a diagnostic stream function model which solves for the meridional and vertical components of the diabatic circulation simultaneously. We find a two-cell circulation, with rising motion over the equator, poleward flow in both hemispheres, sinking motion over both polar regions, and return flow in the lowest atmospheric levels. The maximum poleward velocity is 3 m/s in the tropics at approx. 55 km altitude, and the maximum vertical velocity is 2.5 cm/s downward over the north pole at approx. 60 km altitude. If these large transport rates are sustained for an entire season, the Martian atmosphere above the 1-mbar level is overturned in about 38 days. This diabatic circulation is qualitatively similar to the terrestrial diabatic circulation at the comparable season, but is more vigorous.

Santee, Michelle L.↗
NASA NTRS2003

Extratropical Stratosphere-Troposphere Mass Exchange

Global net mass flux between the troposphere and the stratosphere can be computed simply by estimating the heating rate along the 380K isentropic surface and the time rate of change of the lower most stratosphere (region between the tropopause and 380K). Given the net tropopause mass flux and the cross tropopause diabatic flux, the residual adiabatic mass flux can be estimated. These fluxes have been computed using three different meteorological data sets, the FVGCM and two assimilation data sets, FVDAS, and UKMO, using the 3.5 PVU defined tropopause. For all three data sets, the extratropical diabatic flux across the tropopause is generally to be larger than the net flux cross tropopause flux implying that there is a net extra-tropical adiabatic flux of air from the troposphere into the middle world stratosphere. This adiabatic flux is four to five times larger than the flux into the stratosphere across the tropical tropopause. For the FVDAS, the tropopause diabatic flux is smaller than UKMO as a result of colder tropopause temperatures. The difference in the diabatic mass fluxes by almost a factor of two between the two data assimilation meteorological analyses is much larger than the interannual variability in the UKMO or FVGCM data sets. Compared to radiosonde estimated tropopause temperatures, both data assimilation tropopause temperatures are warm biased due to a low bias in the tropopause heights. These comparisons point to the PV determination of the tropopause height as the source of the differences in the mass fluxes.

Schoeberl, Mark↗
NASA NTRS2021

The Influence of Direct Radiative Forcing Versus Indirect Sea Surface Temperature Warming on Southern Hemisphere Subtropical Anticyclones Under Global Warming

Southern hemisphere subtropical anticyclones are projected to change in a warmer climate during both austral summer and winter. A recent study of CMIP 5 & 6 projections found a combination of local diabatic heating changes and static-stability-induced changes in baroclinic eddy growth as the dominant drivers. Yet the underlying mechanisms forcing these changes still remain uninvestigated. This study aims to enhance our mechanistic understanding of what drives these Southern Hemisphere anticyclones changes during both seasons. Using an AGCM, we decompose the response to CO2-induced warming into two components: (1) the fast atmospheric response to direct CO2 radiative forcing, and (2) the slow atmospheric response due to indirect sea surface temperature warming. Additionally, we isolate the influence of tropical diabatic heating with AGCM added heating experiments. As a complement to our numerical AGCM experiments, we analyze the Atmospheric and Cloud Feedback Model Intercomparison Project experiments. Results from sensitivity experiments show that slow subtropical sea surface temperature warming primarily forces the projected changes in subtropical anticyclones through baroclinicity change. Fast CO2 atmospheric radiative forcing on the other hand plays a secondary role, with the most notable exception being the South Atlantic subtropical anticyclone in austral winter, where it opposes the forcing by sea surface temperature changes resulting in a muted net response. Lastly, we find that tropical diabatic heating changes only significantly influence Southern Hemisphere subtropical anticyclone changes through tropospheric wind shear changes during austral winter.

Subtropical anticyclone↗
DOE OSTI2020

Mechanistic Insights into Photocatalyzed H 2 Dissociation on Au Clusters

Localized surface plasmon resonances (LSPRs) have attracted much recent attention for their potential in promoting chemical reactions with light. However, the mechanism of LSPR-induced chemical reactions is still not clear, even for H 2 dissociation on metal nanoparticles. Here, we investigate the mechanism for photoinduced H 2 dissociation using a simple H 2 @Au 6 model. Our time-dependent density functional theory calculations indicate that the initial excitation is largely restricted to the metal cluster, involving intraband excitation that produces hot electrons (HEs). However, diabatization via overlapping orbitals reveals two types of nested electronic states, one involving excitations of the metallic electrons, namely, the HE states, and the other concerned with charge transfer (CT) to the adsorbate antibonding σ* orbital. Dissociation of H 2 thus takes place by transitions from the former to the latter. Quantum dynamics simulations on the diabatic CT states suggest rapid dissociation of H 2 , while no such dissociation occurs on diabatic HE states. Our research provides a clear physical picture of photoinduced H 2 dissociation on Au clusters, which has important implications in plasmonic facilitated photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The Role of Cloud Radiative Effects in the Propagating Southern Annular Mode

Abstract The Southern Annular Mode (SAM) is the most dominant natural mode of variability in the mid‐latitudes of the Southern Hemisphere (SH). However, both the sign and magnitude of the feedbacks from the diabatic processes, especially those associated with clouds, onto the SAM remain elusive. By applying the cloud locking technique to the Energy Exascale Earth System Model (E3SM) atmosphere model, this study isolates the positive feedback from the cloud radiative effect (CRE) to the SAM. Feedback analysis based on a wave activity‐zonal momentum interaction framework corroborates this weak but positive feedback. While the magnitude of the CRE feedback appears to be secondary compared to the feedbacks from the dry and other diabatic processes, the indirect CRE effects through the interaction with other dynamical and thermodynamical processes appear to play as important a role as the direct CRE in the life cycle of the SAM. The cross‐EOF analysis further reveals the obstructive effect of the interactive CRE on the propagation mode of the SH zonal wind directly through the CRE wave source and/or indirectly through modulating other diabatic processes. As a result, the propagation mode becomes more persistent and the SAM it represents becomes more predictable when the interactive CRE is disabled by cloud locking. Future efforts on inter‐model comparisons of CRE‐denial experiments are important to build consensus on the dynamical feedback of CRE.

58 GEOSCIENCES↗
NASA NTRS1982

Numerical prediction of the Mid-Atlantic states cyclone of 18-19 February 1979

A series of forecast experiments was conducted to assess the accuracy of the GLAS model, and to determine the importance of large scale dynamical processes and diabatic heating to the cyclogenesis. The GLAS model correctly predicted intense coastal cyclogenesis and heavy precipitation. Repeated without surface heat and moisture fluxes, the model failed to predict any cyclone development. An extended range forecast, a forecast from the NMC analysis interpolated to the GLAS grid, and a forecast from the GLAS analysis with the surface moisture flux excluded predicted weak coastal low development. Diabatic heating resulting from oceanic fluxes significantly contributed to the generation of low level cyclonic vorticity and the intensification and slow rate of movement of an upper level ridge over the western Atlantic. As an upper level short wave trough approached this ridge, diabatic heating associated with the release of latent heat intensified, and the gradient of vorticity, vorticity advection and upper level divergence in advance of the trough were greatly increased, providing strong large scale forcing for the surface cyclogenesis.

Atlas, R.↗
NASA NTRS1984

Numerical Prediction of the President's Day Cyclone

Numerical-diagnostic studies of major anomalous weather events are being conducted in order to investigate the relevant physical processes associated with the events and the role of satellite observing systems in the analysis and prediction of these phenomena. One component of this study is concerned with the numerical prediction of intense coastal and oceanic cyclogenesis. The specific objectives of this research are: (1) to assess the accuracy of Goddard Laboratory for Atmospheric Sciences model predictions of cyclogenesis, (2) to determine the importance of large scale dynamical processes and diabatic heating to the prediction, and (3) to evaluate the sensitivity of the model predictions to the initial conditions. It was shown that diabatic heating resulting from oceanic fluxes significantly contributed to the generation of low level cyclonic vorticity and the intensification and slow rate movement of an upper level ridge over the western Atlantic. As an upper level short-wave trough approached this ridge, diabatic heating associated with the release of latent heat intensified, and the gradient of vorticity, vorticity advection, upper level divergence, and upward vertical motion in advance of the trough were greatly increased, providing strong large-scale forcing for the surface cyclogenesis.

Atlas, R.↗
NASA NTRS1985

Generation of available potential energy and the energy cycle during the global weather experiment

Two parallel sets of analyses, which in one case included and in the other omitted data observed by satellite based and other FGGE special observing systems are examined. The results of our previous work is extended in two separate, but not unrelated, ways. First, from these two parallel analyses, which are labeled FGGE (full FGGE system) and NOSAT (satellite omitted), it was discovered that the two sets of fields were quite close over much of the globe. Locally the influence of satellite based systems led to some differences, particularly over the Southern Hemisphere Oceans. The diabatic heating fields generated by the GLA FGGE analysis was also examined. From these fields, one can ascertain the role of total diabatic heating and of the various diabatic heating components in the atmospheric energy cycle, in particular in the generation of available potential energy.

Salstein, D. A.↗
NASA NTRS1986

Meridional distribution of stratospheric trace constituents

Vertically stratified tracers such as methane and nitrous oxide tend to have constant mixing ratio surfaces that slope downward toward the poles in the meridional plane. The equilibrium tracer slope results from the competition between the slope steepening effects of advection by the diabatic circulation and the slope flattening effects of quasi-isentropic eddy transport and photochemical loss. The diabatic circulation iself is, however, driven primarily by eddy transports, which maintain the departure of stratospheric temperatures from radiative equilibrium. If the eddy transports are weak, the diabatic circulation is also weak and the slope is small. Using a simple beta-plane channel model and an eddy diffusion parameterization for the eddy potential vorticity and tracer transports, it is shown that the slope is a maximum for a value of eddy diffusion such that the dynamical time scale lies between the radiative and chemical time scales.

Holton, J. R.↗