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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

The lapse function in Friedmann—Lemaître–Robertson–Walker cosmologies

Highlights: • The Hubble flow is non-inertial for all cosmic equations-of-state other than p=−ρ∕3. • The Local Flatness Theorem is therefore violated when the lapse function is set equal to a constant. • Thus, the symmetries in the FLRW metric appear to be valid only when ρ+3p=0, producing an expansion factor a(t) t. - Abstract: The Friedmann–Lemaître–Robertson–Walker (FLRW) metric, the backbone of modern cosmology, is founded on the cosmological principle, which assumes homogeneity and isotropy throughout the cosmos. One of its simplifications is the choice of lapse function g{sub tt}=1, regardless of which stress–energy tensor T{sup μν} is used in Einstein’s field equations. It is sometimes argued that this selection is justified by gauge freedom, given that g{sub tt} in FLRW may be a function solely of t, not of the spatial coordinates, permitting a redefinition of the time. We show in this paper, however, that the comoving frame in the Hubble expansion is non inertial for all but a few special cases of the expansion factor a(t). Changing the gauge changes the frame of reference and cannot alter this property of the expansion profile, since it would of necessity reformat the metric using the coordinates of a non-comoving observer. We therefore suggest that the pre-selection of g{sub tt}=1, independently of the equation of state in the cosmic fluid, incorrectly avoids the time dilation that ought to be present relative to the actual free-falling frame when a{sup ̈}≠0.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Towards enhancing and delaying disturbances in free shear flows

The family of shear flows comprising the jet, wake, and the mixing layer are subjected to perturbations in an inviscid incompressible fluid. By modeling the basic mean flows as parallel with piecewise linear variations for the velocities, complete and general solutions to the linearized equations of motion can be obtained in closed form as functions of all space variables and time when posed as an initial value problem. The results show that there is a continuous as well as the discrete spectrum that is more familiar in stability theory and therefore there can be both algebraic and exponential growth of disturbances in time. These bases make it feasible to consider control of such flows. To this end, the possibility of enhancing the disturbances in the mixing layer and delaying the onset in the jet and wake is investigated. It is found that growth of perturbations can be delayed to a considerable degree for the jet and the wake but, by comparison, cannot be enhanced in the mixing layer. By using moving coordinates, a method for demonstrating the predominant early and long time behavior of disturbances in these flows is given for continuous velocity profiles. It is shown that the early time transients are always algebraic whereas the asymptotic limit is that of an exponential normal mode. Numerical treatment of the new governing equations confirm the conclusions reached by use of the piecewise linear basic models. Although not pursued here, feedback mechanisms designed for control of the flow could be devised using the results of this work.

Criminale, W. O.↗
DOE OSTI2024

Profiling the molecular destruction rates of temperature and humidity as well as the turbulent kinetic energy dissipation in the convective boundary layer

A simultaneous deployment of Doppler, temperature, and water-vapor lidars is able to provide profiles of molecular destruction rates and turbulent kinetic energy (TKE) dissipation in the convective boundary layer (CBL). Horizontal wind profiles and profiles of vertical wind, temperature, and moisture fluctuations are combined, and transversal temporal autocovariance functions (ACFs) are determined for deriving the dissipation and molecular destruction rates. These are fundamental loss terms in the TKE as well as the potential temperature and mixing ratio variance equations. These ACFs are fitted to their theoretical shapes and coefficients in the inertial subrange. Error bars are estimated by a propagation of noise errors. Sophisticated analyses of the ACFs are performed in order to choose the correct range of lags of the fits for fitting their theoretical shapes in the inertial subrange as well as for minimizing systematic errors due to temporal and spatial averaging and micro- and mesoscale circulations. We demonstrate that we achieve very consistent results of the derived profiles of turbulent variables regardless of whether 1 or 10 s time resolutions are used. We also show that the temporal and spatial length scales of the fluctuations in vertical wind, moisture, and potential temperature are similar with a spatial integral scale of ≈160 m at least in the mixed layer (ML). The profiles of the molecular destruction rates show a maximum in the interfacial layer (IL) and reach values of ϵ m ≃ 7 x 10 -4 g 2 kg −2 s −1 for mixing ratio and ϵ θ ≃ 1.6 x 10 -3 K 2 s −1 for potential temperature. In contrast, the maximum of the TKE dissipation is reached in the ML and amounts to ≃ 10 -2 m 2 s −3 . We also demonstrate that the vertical wind ACF coefficient k w ∝ $\overline{w'^{2}}$ and the TKE dissipation ϵ ∝ ($\overline{w'^{2}}$) 3/2 . For the molecular destruction rates, we show that ϵ m ∝ $\overline{m'^{2}}$ ($\overline{w'^{2}}$) 1/2 and ϵ θ ∝ $\overline{θ'^{2}}$ ($\overline{w'^{2}}$) 1/2 . These equations can be used for parameterizations of ϵ, ϵ m , and ϵ θ . All noise error bars are derived by error propagation and are small enough to compare the results with previous observations and large-eddy simulations. The results agree well with previous observations but show more detailed structures in the IL. Consequently, the synergy resulting from this new combination of active remote sensors enables the profiling of turbulent variables such as integral scales, variances, TKE dissipation, and the molecular destruction rates as well as deriving relationships between them. The results can be used for the parameterization of turbulent variables, TKE budget analyses, and the verification of large-eddy simulations.

dissipation rate↗
NASA NTRS1979

The equatorial total electron content and shape factor

The diurnal variations of electron content and shape factor observed at an equatorial station during sunspot minimum are shown to be consistent with the electron density profiles observed at Jicamarca during sunspot minimum. The rapid increase in electron content and the shape factor at sunrise results from the EUV production of ionization in the E and F regions. Day-to-day variations in daytime electron content are observed to be quite small at the equator. The evening decrease in the shape factor results from an upward drift of the F region at sunset and the evening decay of the E and bottomside F regions. The nighttime peak or plateau in the shape factor is produced by the slow downward drift of the electron density profile. The deep predawn dip in the shape factor is caused by the main peak of the F layer reaching low altitudes where high loss rates cause a large reduction in ionization below 300 km and very flat electron density profile.

Donnelly, R. F.↗
DOE OSTI2024

Uncertainty quantification of graph convolution neural network models of evolving processes

The application of neural network models to scientific machine learning tasks has proliferated in recent years. In particular, neural networks have proved to be adept at modeling processes with spatial–temporal complexity. Nevertheless, these highly parameterized models have garnered skepticism in their ability to produce outputs with quantified error bounds over the regimes of interest. Hence there is a need to find uncertainty quantification methods that are suitable for neural networks. In this work we present comparisons of the parametric uncertainty quantification of neural networks modeling complex spatial–temporal processes with Hamiltonian Monte Carlo and Stein variational gradient descent and its projected variant. Specifically we apply these methods to graph convolutional neural network models of evolving systems modeled with recurrent neural network and neural ordinary differential equations architectures. We show that Stein variational inference is a viable alternative to Monte Carlo methods with some clear advantages for complex neural network models. For our exemplars, Stein variational interference gave similar pushed forward uncertainty profiles through time compared to Hamiltonian Monte Carlo, albeit with generally more generous variance. As a result, projected Stein variational gradient descent also produced similar uncertainty profiles to the non-projected counterpart, but large reductions in the active weight space were confounded by the stability of the neural network predictions and the convoluted likelihood landscape.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Simple Ion Channels: From Structure to Electrophysiology and Back

A reliable way to establish whether our understanding of a channel is satisfactory is to reproduce its measured ionic conductance over a broad range of applied voltages in computer simulations. In molecular dynamics (MD), this can be done by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. Since this approach is computationally very expensive, we have developed a markedly more efficient alternative in which MD is combined with the electrodiffusion (ED) equation. In this approach, the assumptions of the ED equation can be rigorously tested, and the precision and consistency of the calculated conductance can be determined. We have demonstrated that the full current/voltage dependence and the underlying free energy profile for a simple channel can be reliably calculated from equilibrium or non-equilibrium MD simulations at a single voltage. To carry out MD simulations, a structural model of a channel has to be assumed, which is an important constraint, considering that high-resolution structures are available for only very few simple channels. If the comparison of calculated ionic conductance with electrophysiological data is satisfactory, it greatly increases our confidence that the structure and the function are described sufficiently accurately. We examined the validity of the ED for several channels embedded in phospholipid membranes - four naturally occurring channels: trichotoxin, alamethicin, p7 from hepatitis C virus (HCV) and Vpu from the HIV-1 virus, and a synthetic, hexameric channel, formed by a 21-residue peptide that contains only leucine and serine. All these channels mediate transport of potassium and chloride ions. It was found that the ED equation is satisfactory for these systems. In some of them experimental and calculated electrophysiological properties are in good agreement, whereas in others there are strong indications that the structural models are incorrect.

molecular dynamics (MD↗
DOE OSTI2026

Relaxations of the steady optimal gas flow problem for a non-Ideal gas

Natural gas ranks second in U.S. primary energy consumption. Because most production sites are remote, gas must be transported through pipeline networks equipped with compressors, valves, and other components. For both economic efficiency and system reliability, it is desirable to operate these networks optimally. The governing physics across pipeline components entails nonlinear, non-convex equality and inequality constraints, and the most general steady-flow operations problem is a Mixed-Integer Nonlinear Program (MINLP).This work focuses on one such steady-flow problem-the Optimal Gas Flow (OGF) for a natural gas pipeline network-which minimizes production cost subject to the steady-flow physics. For day-to-day operations, the ability to quickly compute a globally optimal solution and a strong lower bound for varying demand profiles is crucial. A promising strategy is to build tight relaxations of the OGF’s nonlinear constraints. However, many nonlinearities arising from non-ideal equations of state either lack relaxations or have relaxations that do not scale to realistic network sizes. We address this gap by combining recent advances in polyhedral relaxations for univariate functions to construct tight, computationally efficient relaxations of the OGF with a non-ideal equation of state. These relaxations solve within seconds on a standard laptop. In conclusion, we demonstrate their quality through extensive numerical experiments on very large-scale test networks from the literature and find that the proposed approach proves optimality in 92% of tested instances.

03 NATURAL GAS↗
DOE OSTI2020

Quasi-equilibrium predictions of water desorption kinetics from rapidly-heated metal oxide surfaces

Controlling sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for pulsed power applications. Despite the short time scales involved, quasi-equilibrium ideas based on transition state theory (TST) and Arrhenius temperature dependence have been widely applied to fit desorption activation free energies. Here, we apply molecular dynamics (MD) simulations in conjunction with equilibrium potential-of-mean-force (PMF) techniques to directly compute the activation free energies (ΔG*) associated with desorption of intact water molecules from Fe 2 O 3 and Cr 2 O 3 (0001) surfaces. The desorption free energy profiles are diffuse, without maxima, and have substantial dependences on temperature and surface water coverage. Incorporating the predicted ΔG* into an analytical form gives rate equations that are in reasonable agreement with non-equilibrium molecular dynamics desorption simulations. We also show that different ΔG* analytical functional forms which give similar predictions at a particular heating rate can yield desorption times that differ by up to a factor of four or more when the ramp rate is extrapolated by 8 orders of magnitude. This highlights the importance of constructing a physically-motivated ΔG* functional form to predict fast desorption kinetics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hydrodynamics of two-dimensional compressible fluid with broken parity: Variational principle and free surface dynamics in the absence of dissipation

In this paper, we consider an isotropic compressible nondissipative fluid with broken parity subject to free surface boundary conditions in two spatial dimensions. The hydrodynamic equations describing the bulk dynamics of the fluid and the free surface boundary conditions depend explicitly on the parity-breaking nondissipative odd viscosity term. We construct an effective action which gives both bulk hydrodynamic equations and free surface boundary conditions. The free surface boundary conditions require an additional boundary term in the action which resembles a 1+1D chiral boson field coupled to the background geometry. We solve the linearized hydrodynamic equations for the deep water case and derive the dispersion of chiral surface waves. We show that in the long-wavelength limit the flow profile exhibits an oscillating vortical boundary layer near the free surface. The layer thickness is controlled by the ratio between the odd viscosity (ν o ) and the sound velocity (c s ), δ ~ ν o /c s . In the incompressible limit, c s → ∞, the vortical boundary layer becomes singular with the vorticity within the layer diverging as ω ~ c s . The boundary layer is formed by odd viscosity coupling the divergence of velocity ∇ • v to vorticity ∇ × v. It results in nontrivial chiral free surface dynamics even in the absence of external forces. The structure of the odd-viscosity-induced boundary layer is very different from the conventional free surface boundary layer associated with dissipative shear viscosity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Local enhancement in transient absorption spectroscopy by gating the resonance in the time domain

The concept of resonant perfect absorption, enabled by the combined action of pulse propagation and an auxiliary gate pulse, was recently proposed and demonstrated in a group of two-level systems [Y. He , ]. Here we exploit this method in a more realistic scenario by solving the coupled time-dependent Schrödinger equation and the Maxwell wave equation in helium. Through emptying the population of the 1 s 2 p excited state after its excitation, we explore the evolution of the spectral profile with time delay and propagation distance and link the observations to the controlled interference between the original field and the gated new field. We find that resonant absorption for higher-lying states can also be strongly enhanced, in spite of the congestion of multiple resonances and the presence of complex laser-induced couplings. Our results show that interferometric control of absorption using intense laser fields can be applied selectively in both the temporal and spatial domains. Published by the American Physical Society 2024

He, Yu (ORCID:0000000152120176)↗
NASA NTRS1974

Correlation effects in the theory of combined Doppler and pressure broadening. I - Classical theory

An investigation is conducted of the combined effects of radiator-perturber collisions and radiator translational motion in the context of foreign gas broadening of optical transitions in neutral radiators. Questions concerning the speed-dependent collision frequency are considered and aspects of general theory are explored, taking into account the correlation function, the ensemble average, and the kinetic equation formalism. An elementary solution is discussed along with a one-perturber approximation, inverse power law model calculations, and a comparison with the Voigt profile.

Ward, J.↗
NASA NTRS1976

Analysis of neutrally stable atmospheric flow over a two-dimensional forward facing step

A mathematical model describing ground-wind induced flow fields around surface obstructions such as buildings, bridges or other man-made structures is presented. The Navier-Stokes equations with a two-equation turbulence model are used to analyze the flow over a two-dimensional forward facing step. A study of the assumed logarithmic approach velocity profile shows that an increase of surface roughness produces a rise to higher turbulence levels in the shear layer originating from the step corner. This rise leads to higher Reynolds stress and to faster reattachment of the separated flow.

Bitte, J.↗
NASA NTRS1976

Similarity solution of the boundary-layer equations for laser heated flows

The laminar boundary-layer equations with local similarity approximation are solved in order to estimate the heat transfer rate to the wall in a laser-heated rocket thruster using pure hydrogen, where the average temperature of the hot plasma core is about 14,000 K and the core Reynolds number based on nozzle throat diameter is about 2000. Under these conditions, the density-viscosity product at the wall can be 10 times the freestream value, and the hydrogen is completely dissociated. Hence the boundary layer equations with variable transport properties are solved by a quasi-linearization technique, and the equilibrium properties of hydrogen are used in the calculations. Velocity profiles are obtained, and the wall shear and wall stagnation enthalpy gradient are plotted against the pressure gradient parameter.

Wu, P. K.↗
NASA NTRS1978

A new formulation for the epsilon method applied to the minimum-time-to-climb problem

Balakrishnan's epsilon technique is used to compute minimum-time profiles for the F-104 airplane. This technique differs from the classical gradient method in that a quadratic penalty on the error in satisfying the equation of motion is included in the cost function to be minimized as a means of eliminating the requirement of satisfying the equations of motion. Although the number of unknown independent functions is increased to include the state variables, the evaluation of the gradient of the cost function is simplified, resulting in considerable computational savings, thereby making it appear feasible to use the epsilon method for real-time application.

Taylor, L. W., Jr.↗
NASA NTRS1978

Energetic ionized helium in the quiet time radiation belts - Theory and comparison with observation

Theoretical calculations of helium ion distributions in the inner magnetosphere are compared to observations made by ATS-6 and Explorer-45. Coupled transport equations for equatorially mirroring singly and doubly ionized helium ions in the steady state limit with an outer boundary of L = 7 are solved. Radial profiles and energy spectra are computed at all lower L values. Theoretical quiet time predictions are compared to satellite observations of energetic helium ions in the lower MeV range. It is found that the theory adequately represents the principal characteristics of the radiation belt helium ion population.

Spjeldvik, W. N.↗
NASA NTRS1979

A comparison of high-temperature flare models with observations and implications for the low-temperature flare

EUV data from the Harvard College Observatory and Naval Research Laboratory instruments on board the Skylab Apollo telescope mount, together with SOLRAD 9 X-ray data, are analyzed in order to empirically deduce the variation of emission measure with temperature in the atmosphere of a number of solar flares. A 'mean' differential emission measure profile Q(T) for a flare is constructed which is then compared with the profile predicted by a number of theoretical models. It is found that realistic flare models must include both conductive and radiative terms in the energy equation, and that hydrodynamic terms may be important at low temperatures. The implications of the results obtained are discussed for flare models in general and it is shown that the inclusion of the conductive term into models which have hitherto neglected it can perhaps resolve some of the observational difficulties with such models.

Machado, M. E.↗
NASA NTRS1982

The chemistry of metastable species in the Venusian ionosphere

Reactions of metastable species are important in determining the densities of minor ions in the Venusian ionosphere. Calculations are carried out in which the coupled continuity and momentum equations are solved for twelve ions and four neutral species in the dayside ionosphere, including O(+)(2D), O(2P), N(2D), and N(2P). Altitude profiles of these metastable species are presented. Their reactions are shown to be a significant source of several minor ions, especially N2(+), CO(+), and N(+). The discrepancies which existed between model and measured densities of these ions are resolved.

Fox, J. L.↗
NASA NTRS1983

Interpretation of the 6818.9-A methane feature observed on Jupiter, Saturn, and Uranus

High-resolution (0.1-A) spectra of the 6818.9-A methane feature obtained for Jupiter, Saturn, and Uranus by Baines, Schempp, and Smith (1969) are modeled using a doubling and adding code after Hansen (1983). The feature's rotational quantum number is estimated using the relatively homogeneous atmosphere of Saturn, with only J = 0 and J = 1 fitting the observational constraints. The aerosol content within Saturn's northern temperate region is shown to be substantially less than at the equator, indicating a haze only half as optically thick. Models of Jupiter's atmosphere are consistent with the rotational quantum-number assignment. Synthetic line profiles of the 6818.9-A feature observed on Uranus reveal that a substantial haze exists at or above the methane condensation region with an optical depth eight times greater than previously reported. Seasonal effects are indicated. The methane column abundance is 5 + or - 1 km-am. The mixing ratio of methane to hydrogen within the deep unsaturated region of the planet is 0.045 + or - 0.025, based on an H2 column abundance of 240 + or - 60 km-am (Smith, Macy, and Pilcher /1980/), thus indicating that methane comprises between one-sixth and one-half of the planet's mass. However, proper reevaluation of H2 quadrupole features accounting for the haze reported here may significantly reduce the relative methane abundance.

Baines, K. H.↗