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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Kinetic frustration by limited bond availability controls the LAT protein condensation phase transition on membranes

LAT is a membrane-linked scaffold protein that undergoes a phase transition to form a two-dimensional protein condensate on the membrane during T cell activation. Governed by tyrosine phosphorylation, LAT recruits various proteins that ultimately enable condensation through a percolation network of discrete and selective protein-protein interactions. Here, we describe detailed kinetic measurements of the phase transition, along with coarse-grained model simulations, that reveal that LAT condensation is kinetically frustrated by the availability of bonds to form the network. Unlike typical miscibility transitions in which compact domains may coexist at equilibrium, the LAT condensates are dynamically arrested in extended states, kinetically trapped out of equilibrium. Modeling identifies the structural basis for this kinetic arrest as the formation of spindle arrangements, favored by limited multivalent binding interactions along the flexible, intrinsically disordered LAT protein. These results reveal how local factors controlling the kinetics of LAT condensation enable formation of different, stable condensates, which may ultimately coexist within the cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Investigation of post-injection strategies for diesel engine Catalyst Heating Operation using a vapor-liquid-equilibrium-based spray model

Most multidimensional engine simulations spend much time solving for non-equilibrium spray dynamics (atomization, collision, vaporization). However, their accuracy is limited by significant grid dependency, and the need for extensive calibration. This is critical for modeling cold-start diesel fuel post injections, which occur at low temperatures and pressures, far from typical model validation ranges. At the same time, resolving micron-scale spray phenomena would render full Eulerian multiphase calculations prohibitive. In this study, an improved phase equilibrium based approach was implemented and assessed for simulating diesel catalyst heating operation strategies. A phase equilibrium solver based on the model by Yue and Reitz [1] was implemented: a fully multiphase CFD solver is employed with an engineering-size engine grid, and fuel injection is modeled using the standard Lagrangian parcels approach. Mass and energy from the liquid parcels are released to the Eulerian multiphase mixture according to an equilibrium-based liquid jet model. An improved phase equilibrium solver was developed to handle large real-gas mixtures such as those from accurate chemical kinetics mechanisms. The liquid-jet model was improved such that momentum transfer to the Eulerian solver better reproduces the physical spray jet structure. Validation of liquid/vapor penetration predictions showed that the model yields accurate results with very limited tuning and low sensitivity to the few calibration constants. In-cylinder simulations of diesel catalyst heating operation strategies showed that capturing spray structure is paramount when short, transient injection pulses and low temperatures are present. Furthermore, the EP model provides improved predictions of post-injection spray structure and ignitability, while conventional spray modeling does not capture the increase of liquid penetration during the expansion stroke. Finally, the only important EP model calibration constant, Cliq, does not affect momentum transfer, but it changes the local charge cooling distribution through the local energy transfer, which makes it candidate to additional research. The results confirm that non-equilibrium spray processes do not need to be resolved in engineering simulations of high-pressure diesel sprays.

42 ENGINEERING↗
NASA NTRS1993

A comparison of the predictive capabilities of several turbulence models using upwind and central-difference computer codes

Four turbulence models are described and evaluated for transonic flows using the upwind code CFL3D and the central-difference code TLNS3D. In particular, the effects of recent modifications to the half-equation model of Johnson-King are explored in detail, and different versions of the model are compared. This model can obtain good results for both two-dimensional (2D) and three-dimensional (3D) separated flows. The one-equation models of Baldwin-Barth and Spalart-Allmaras perform well for separated airfoil flows, but can predict the shock too far forward at the outboard stations of a separated wing. The equilibrium model of Baldwin-Lomax predicts the shock location too far aft for both 2D and 3D separated flows, as expected. In general, all models perform well for attached or mildly separated flows.

Rumsey, Christopher L.↗
NASA NTRS1993

A Comparison of the Predictive Capabilities of Several Turbulence Models using Upwind and Central-Difference Computer Codes

Four turbulence models are described and evaluated for transonic flows using the upwind code CFL3D and the central-difference code TLNS3D. In particular, the effects of recent modifications to the half-equation model of Johnson-King are explored in detail, and different versions of the model are compared. This model can obtain good results for both two-dimensional (2D) and three-dimensional (3D) separated flows. The one-equation models of Baldwin-Barth and Spalart-Allmaras perform well for separated airfoil flows, but can predict the shock too far forward at the outboard stations of a separated wing. The equilibrium model of Baldwin-Lomax predicts the shock location too far aft for both 2D and 3D separated flows, as expected. In general, all models perform well for attached or mildly separated flows.

Rumsey, Christopher L.↗
NASA NTRS1981

Models of transition region and coronal plasma in solar loop structures

The theory of coronal loops was developed and the simple version of the theory and observations are compared. It is shown that the gross properties of the confined corona can be understood by considering simple hydrostatic equilibrium models. By observing the corona it is apparent that hydrostatic models are seriously inadequate. It is suggested that observations of intensity fluctuations, of persistent up and down flows, of relatively cool matter residing at coronal heights, of apparent spatial co-mingling of hot plasmas at quite different temperatures, need a more sophisticated modeling.

Raymond, J. C.↗
DOE OSTI2024

A New Coupled Biogeochemical Modeling Approach Provides Accurate Predictions of Methane and Carbon Dioxide Fluxes Across Diverse Tidal Wetlands

Abstract Tidal wetlands provide valuable ecosystem services, including storing large amounts of carbon. However, the net exchanges of carbon dioxide (CO 2 ) and methane (CH 4 ) in tidal wetlands are highly uncertain. While several biogeochemical models can operate in tidal wetlands, they have yet to be parameterized and validated against high‐frequency, ecosystem‐scale CO 2 and CH 4 flux measurements across diverse sites. We paired the Cohort Marsh Equilibrium Model (CMEM) with a version of the PEPRMT model called PEPRMT‐Tidal, which considers the effects of water table height, sulfate, and nitrate availability on CO 2 and CH 4 emissions. Using a model‐data fusion approach, we parameterized the model with three sites and validated it with two independent sites, with representation from the three marine coasts of North America. Gross primary productivity (GPP) and ecosystem respiration (R eco ) modules explained, on average, 73% of the variation in CO 2 exchange with low model error (normalized root mean square error (nRMSE) <1). The CH 4 module also explained the majority of variance in CH 4 emissions in validation sites ( R 2 = 0.54; nRMSE = 1.15). The PEPRMT‐Tidal‐CMEM model coupling is a key advance toward constraining estimates of greenhouse gas emissions across diverse North American tidal wetlands. Further analyses of model error and case studies during changing salinity conditions guide future modeling efforts regarding four main processes: (a) the influence of salinity and nitrate on GPP, (b) the influence of laterally transported dissolved inorganic C on R eco , (c) heterogeneous sulfate availability and methylotrophic methanogenesis impacts on surface CH 4 emissions, and (d) CH 4 responses to non‐periodic changes in salinity.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1978

Stellar model chromospheres. VII - Capella /G5 III +/, Pollux /K0 III/, and Aldebaran /K5 III/

Data from high-resolution SEC vidicon spectroscopy with a ground-based telescope (for the Ca II K line) and from spectral scans made with the BUSS ultraviolet balloon spectrograph (for the Mg II h and k lines) are used to derive models of the chromospheres and upper photospheres of three G-K giants. The models are based on partial-redistribution analyses of the Ca II K line wings and cores and on the fluxes in the Mg II lines. The photospheres thus computed are hotter than predicted by radiative-equilibrium models. The minimum-to-effective temperature ratio is found to decrease with decreasing effective temperature, while the mass column density at the top of the chromosphere increases with decreasing stellar surface gravity. The computed pressure at the chromosphere top in the primary member of the Capella spectroscopic binary system is 70 times smaller than the transition-region pressure derived by Haisch and Linsky (1976), which suggests that additional terms must be included in the transition-region energy equations for giant stars. Estimates of the Ca II and hydrogen column densities are made for the circumstellar envelope of Aldebaran.

Kelch, W. L.↗
NASA NTRS1991

Production of organic compounds in plasmas: A comparison among electric sparks, laser-induced plasmas and UV light

In order to study the production of organic compounds in plasmas (and shocks), various mixtures of N2, CH4, and H2, modeling the atmosphere of Titan, were exposed to discrete sparks, laser-induced plasmas (LIP) and ultraviolet light. The yields of HCN and simple hydrocarbons were measured and compared to those calculated from a simple quenched thermodynamic equilibrium model. The agreement between experiment and theory was fair for HCN and C2H2. However, the yields of C2H6 and other hydrocarbons were much higher than those predicted by the model. Our experiments suggest that photolysis by ultraviolet light from the plasma is an important process in the synthesis. This was confirmed by the photolysis of gas samples exposed to the light, but not to the plasma or shock waves. The results of these experiments demonstrate that, in addition to the well-known efficient synthesis of organic compounds in plasmas, the yields of saturated species, e.g., ethane, may be higher than predicted by theory and that LIP provide a convenient and clean way of simulating planetary lightning and impact plasmas in the laboratory.

Scattergood, T. W.↗
DOE OSTI2022

Probing atomic physics at ultrahigh pressure using laser-driven implosions

Abstract Spectroscopic measurements of dense plasmas at billions of atmospheres provide tests to our fundamental understanding of how matter behaves at extreme conditions. Developing reliable atomic physics models at these conditions, benchmarked by experimental data, is crucial to an improved understanding of radiation transport in both stars and inertial fusion targets. However, detailed spectroscopic measurements at these conditions are rare, and traditional collisional-radiative equilibrium models, based on isolated-atom calculations and ad hoc continuum lowering models, have proved questionable at and beyond solid density. Here we report time-integrated and time-resolved x-ray spectroscopy measurements at several billion atmospheres using laser-driven implosions of Cu-doped targets. We use the imploding shell and its hot core at stagnation to probe the spectral changes of Cu-doped witness layer. These measurements indicate the necessity and viability of modeling dense plasmas with self-consistent methods like density-functional theory, which impact the accuracy of radiation transport simulations used to describe stellar evolution and the design of inertial fusion targets.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1981

On Hybrid and mixed finite element methods

Three versions of the assumed stress hybrid model in finite element methods and the corresponding variational principles for the formulation are presented. Examples of rank deficiency for stiffness matrices by the hybrid stress model are given and their corresponding kinematic deformation modes are identified. A discussion of the derivation of general semi-Loof elements for plates and shells by the hybrid stress method is given. It is shown that the equilibrium model by Fraeijs de Veubeke can be derived by the approach of the hybrid stress model as a special case of semi-Loof elements.

Pian, T. H. H.↗
NASA NTRS1997

On the Dramatic Spin-up/Spin-Down Torque Reversals in Accreting Pulsars

Dramatic torque reversals between spin-up and spin-down have been observed in half of the persistent X-ray pulsars monitored by the Burst and Transient Space Experiment (BATSE) all-sky monitor on the Compton Gamma Ray Observatory. Theoretical models developed to explain early pulsar timing data can explain spin-down torques via a disk-magnetosphere interaction if the star nearly corotates with the inner accretion disk. To produce the observed BATSE torque reversals, however, these equilibrium models require the disk to alternate between two mass accretion rates, with M+/- producing accretion torques of similar magnitude but always of opposite sign. Moreover, in at least one pulsar (GX 1+4) undergoing secular spin-down, the neutron star spins down faster during brief (approximately 20 day) hard X-ray flares-this is opposite the correlation expected from standard theory, assuming that BATSE pulsed flux increases with mass accretion rate. The 10 day to 10 yr intervals between torque reversals in these systems are much longer than any characteristic magnetic or viscous timescale near the inner disk boundary and are more suggestive of a global disk phenomenon. We discuss possible explanations of the observed torque behavior. Despite the preferred sense of rotation defined by the binary orbit, the BATSE observations are surprisingly consistent with an earlier suggestion for GX 1+4: the disks in these systems somehow alternate between episodes of prograde and retrograde rotation. We are unaware of any mechanism that could produce a stable retrograde disk in a binary undergoing Roche lobe overflow, but such flip-flop behavior does occur in numerical simulations of wind-fed systems. One possibility is that the disks in some of these binaries are fed by an X-ray-excited wind.

Nelson, Robert W.↗
NASA NTRS1978

Possible effects of solar UV variations on ozone and climate

A one-dimensional photochemical model was used to estimate the consequences of 27-day, 11-year, 22-year, and several-hundred-year variations of ultraviolet solar radiation on the concentration of ozone and nitrogen dioxide, and a one-dimensional radiative-convective equilibrium model was used to assess the joint effect of the radiation and concentration variations on the global temperature structure. For the several-hundred-year variations, the ozone column density increases by about 17.5% from minimum to maximum solar UV flux. For the 11-year period the ozone column density fluctuates by only about 7%, the lack of a full response being due to the time required for vertical motions to redistribute ozone from the altitudes of maximum production to those of maximum steady-state value. The 22-year period shows a full response, which the density varies by less than a percent for the 27-day period. Climatic consequences of these results are briefly discussed.

Pollack, J. B.↗
NASA NTRS2016

The Far-Ultraviolet Spectra of Two Hot PG1159 Stars

PG 1159 stars are hot, hydrogen-deficient (pre-) white dwarfs with atmospheres mainly composed of helium, carbon, and oxygen. The unusual surface chemistry is the result of a late helium-shell flash. Observed element abundances enable us to test stellar evolution models quantitatively with respect to their nucleosynthesis products formed near the helium-burning shell of the progenitor asymptotic giant branch stars. Because of the high effective temperatures (T(sub eff)), abundance determinations require ultraviolet spectroscopy and non-local thermodynamic equilibrium model atmosphere analyses. Up to now, we have presented results for the prototype of this spectral class and two cooler members (T(sub eff) in the range 85,000-140,000 K). Here we report on the results for two even hotter stars (PG 1520+525 and PG 1144+005, both with T(sub eff) = 150,000 K) which are the only two objects in this temperature-gravity region for which useful far-ultraviolet spectra are available, and revisit the prototype star. Previous results on the abundances of some species are confirmed, while results on others (Si, P, S) are revised. In particular, a solar abundance of sulphur is measured in contrast to earlier claims of a strong S deficiency that contradicted stellar evolution models. For the first time, we assess the abundances of Na, Al, andCl with newly constructed non-LTE model atoms. Besides the main constituents (He, C, O), we determine the abundances (or upper limits) of N, F, Ne, Na, Al, Si, P, S, Cl, Ar, and Fe. Generally, good agreement with stellar models is found.

Werner, K.↗
DOE OSTI2021

Near-field models and simulations of pellet ablation in tokamaks

Here, detailed numerical studies of the ablation of a single neon pellet in the plasma disruption mitigation parameter space have been performed. Simulations were carried out using FronTier, a hydrodynamic/low magnetic Reynolds number MHD code with explicit tracking of material interfaces. FronTier's physics models resolve the pellet surface ablation and the formation of a dense, cold cloud of ablated material, the deposition of energy from hot plasma electrons, the expansion of the ablation cloud along magnetic field lines, and the radiation losses. A local thermodynamic equilibrium model based on Saha equations has been used to resolve atomic processes in the cloud and Redlich–Kwong corrections to the ideal gas equation of state for cold and dense gases, which have been used near the pellet surface. The FronTier pellet code is a next generation of the code described. It has been validated against the semi-analytic improved neutral gas shielding model in the 1D spherically symmetric approximation. Main results include quantification of the influence of atomic processes and Redlich–Kwong corrections on the pellet ablation in spherically symmetric approximation and verification of analytic scaling laws in a broad range of pellet and plasma parameters. Using axially symmetric MHD simulations, the properties of ablation channels and the reduction of pellet ablation rates in magnetic fields of increasing strength have been studied. While the main emphasis has been given to neon pellets for the plasma disruption mitigation, selected results on deuterium fueling pellets have also been presented.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

On the possibility of constructing a radiative sunspot model in magnetohydrostatic equilibrium.

It is currently believed that it is impossible to construct a radiative sunspot model in magnetohydrostatic equilibrium unless magnetic fields below the surface are excessively large (greater than 100 kG). This belief is based on results obtained using the mixing length theory of convection. We wish to point out that by using a different theory of convection, due to Opik (1950), it is possible to compute a radiative sunspot model in which the field becomes no greater than 9000 G. By applying two boundary conditions (depth of spot equals depth of convection zone, and magnetic field has zero gradient at the base of the spot) we show that a radiative spot has a unique effective temperature for a given Wilson depression.

Mullan, D. J.↗
NASA NTRS2001

Balance Mass Flux and Velocity Across the Equilibrium Line in Ice Drainage Systems of Greenland

Estimates of balance mass flux and the depth-averaged ice velocity through the cross-section aligned with the equilibrium line are produced for each of six drainage systems in Greenland. (The equilibrium line, which lies at approximately 1200 m elevation on the ice sheet, is the boundary between the area of net snow accumulation at higher elevations and the areas of net melting at lower elevations around the ice sheet.) Ice drainage divides and six major drainage systems are delineated using surface topography from ERS (European Remote Sensing) radar altimeter data. The net accumulation rate in the accumulation zone bounded by the equilibrium line is 399 Gt/yr and net ablation rate in the remaining area is 231 Gt/yr. (1 GigaTon of ice is 1090 kM(exp 3). The mean balance mass flux and depth-averaged ice velocity at the cross-section aligned with the modeled equilibrium line are 0.1011 Gt kM(exp -2)/yr and 0.111 km/yr, respectively, with little variation in these values from system to system. The ratio of the ice mass above the equilibrium line to the rate of mass output implies an effective exchange time of approximately 6000 years for total mass exchange. The range of exchange times, from a low of 3 ka in the SE drainage system to 14 ka in the NE, suggests a rank as to which regions of the ice sheet may respond more rapidly to climate fluctuations.

Zwally, H. Jay↗
NASA NTRS1989

The mean ozone profile and its temperature sensitivity in the upper stratosphere and lower mesosphere - An analysis of LIMS observations

Multiple simultaneous LIMS (Limb Infrared Monitor of the Stratosphere) observations of both O3 and temperature T in the upper stratosphere and lower mesosphere are analyzed to derive O3-T correlations for comparisons with model calculations. The zonally averaged O3 profile is compared with results from a simplified photochemical model that assumes O3 to be in a photochemical steady state. The model profile is systematically lower than the observed profile. Key parameters are identified in which changes can systematically increase the O3 profile in both the stratosphere and the mesosphere. The LIMS-derived values for the sensitivity of O3 to changes in T are compared with equilibrium model calculations which include the T-driven opacity feedback effect on photodissociation rate constants. The theoretical O3 response to temperature perturbations is investigated. It is shown how the O3-T sensitivity coefficient is affected by zonal and vertical advection terms as well as by the photochemical coupling between O3 and T.

Froidevaux, Lucien↗
NASA NTRS2015

Electron-Impact Excitation Cross Sections for Modeling Non-Equilibrium Gas

In order to provide a database for modeling hypersonic entry in a partially ionized gas under non-equilibrium, the electron-impact excitation cross sections of atoms have been calculated using perturbation theory. The energy levels covered in the calculation are retrieved from the level list in the HyperRad code. The downstream flow-field is determined by solving a set of continuity equations for each component. The individual structure of each energy level is included. These equations are then complemented by the Euler system of equations. Finally, the radiation field is modeled by solving the radiative transfer equation.

Electron↗