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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A self-consistent electrostatic electrified shallow water model for charged liquid surface dynamics

The dynamics of an electrified liquid surface are investigated using a shallow water model that is self-consistently coupled with an electrostatic solver. To account for the spatiotemporal variation of a curved liquid surface, the electric field on curved surfaces is calculated by solving a two-dimensional electrostatic equation using the weighted least squares (WLSQ) interpolation method. First, the WLSQ implementation is verified with analytical theory obtained from a Laplace solution assuming a half-cylinder liquid surface profile. Then, the coupled electrified shallow water model is used to study the instability of liquid surface perturbation as a function of the potential drop between an electrode and conducting liquid, surface tension, and gravity. We present a linear dispersion theory of liquid surface instability for long-wavelength perturbations, including the effects of liquid viscosity. Furthermore, the effects of multiple sinusoidal surface perturbations on the electrified liquid surface instability are investigated.

Capillary waves↗
DOE OSTI2026

Thermodynamically consistent incorporation of the Langmuir adsorption model into compressible fluctuating hydrodynamics

For a gas–solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir adsorption model with compressible fluctuating hydrodynamics. To this end, we derive a thermodynamically consistent mass–energy update scheme that accounts for how the mass and energy variables in the gas and surface subsystems should be updated according to the changes in the number of molecules of each species in each subsystem due to adsorption and desorption events. By performing a stochastic analysis for the ideal Langmuir model and the full hydrodynamic system, we analytically confirm that our mass–energy update scheme captures thermodynamic equilibrium predicted by equilibrium statistical mechanics. We find that an internal energy correction term is needed, which is attributed to the difference in the mean kinetic energy of gas molecules colliding with the surface from that computed from the Maxwell–Boltzmann distribution. By performing an equilibrium simulation study for an ideal gas mixture of CO and Ar, with CO undergoing reversible adsorption, we validate our overall simulation method and implementation.

Adsorption↗
DOE OSTI2026

Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory

We have previously proposed the MPCC static embedding framework for quantum chemistry that self-consistently couples a high-level coupled cluster (CC) treatment of the fragment (active region) with a lower level, Møller–Plesset perturbation treatment of the environment. Our initial implementation was limited to single and double (SD) substitutions, with CCSD for the fragment and first-order perturbative SD amplitudes for the environment. Here, we extend the MPCC embedding treatment to triple substitutions, which is essential for achieving chemical accuracy in energy differences. To this end, we employ a CCSDT solver for the fragment subsystem. For the environment subsystem, we construct a perturbative estimate of the triples amplitudes, explicitly accounting for feedback from all fragment amplitudes. The resulting approach is denoted MPCCSDT(pt). We further introduce a more complete formulation in which feedback from the environment amplitudes to the fragment amplitudes is also included. This scheme involves an iterative treatment of the environment triples amplitudes and is denoted MPCCSDT(it). In addition, we assess the accuracy of the previously proposed low-level method by introducing a modified low-level approach that incorporates a lowest-order treatment of selected long-range effects, including spin fluctuations and charge polarization. All resulting approaches may be viewed as post-CCSD(T) methods. We therefore consider test cases for which CCSD(T) exhibits substantial deviations from CCSDT. These include (i) single- and triple-bond stretching in F 2 and N 2 , (ii) bond dissociation energies of selected molecules from the W4-11 dataset, and (iii) total atomization energies of transition metal hydrides. Our results demonstrate that inclusion of triples amplitudes at the fragment level alone is insufficient; a perturbative treatment of the environment triples amplitudes is required. For many energy-difference applications, feedback from the environment triples amplitudes to the fragment amplitudes is not essential, but it does play a role in the very challenging CoH and FeH molecules. A very interesting finding from our study is that in some challenging cases, we need an improved (second-order) perturbative method for the SD amplitudes, going beyond the first-order one used in our earlier work. In conclusion, considering both cost and accuracy, the MP2CCSDT(pt) model is the most promising for future applications among the candidates considered here.

Shee, Avijit [University of California, Berkeley, ↗
DOE OSTI2012

A self-consistent regime of generation of terahertz radiation by an optical pulse with a tilted intensity front

We derived a self-consistent system of nonlinear wave equations describing the terahertz generation in dielectric uniaxial crystals by optical pulsed radiation with a tilted wavefront. The numerical analysis of the system of equations showed that the generation of a broadband one-period terahertz signal is accompanied by a red shift of the carrier frequency of the optical pulse, the magnitude of the shift being proportional to the pulse intensity. The generation efficiency with respect to energy reached a maximum at a certain distance of propagation in the crystal, after which the efficiency decreased. A satisfactory agreement was obtained between theoretical calculations and experimental data of other investigations. (generation of terahertz radiation)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Ring retroreflector system consisting of cube-corner reflectors with special coating

The ring retroreflector system (RS) consisting of cubecorner reflectors (CCRs) with a special coating of reflecting surfaces, intended for uniaxially Earth-oriented navigation satellites, is considered. The error of distance measurement caused by both the laser pulse delay in the CCR and its spatial position (CCR configuration) is studied. It is shown that the ring RS, formed by the CCR with a double-spot radiation pattern, allows the distance measurement error to be essentially reduced. (nanogradient dielectric coatings and metamaterials)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

The all configuration mean energy multiconfiguration self-consistent-field method. I. Equal configuration weights

The All Configuration Mean Energy (ACME) conditions are a special case of state averaging for Multiconfigurational Self-Consistent-Field (MCSCF) orbital optimisation. The method is formulated using the Graphical Unitary Group Approach (GUGA) in which the Configuration State Function (CSF) basis is represented as walks within a Shavitt graph. This graphical formulation leads to efficient recursive algorithms for the energy and reduced density matrices (RDM) that are independent of the CSF dimension and that scale only as O(n2) where n is the number of occupied orbitals. The Hamiltonian matrix diagonalization step is obviated and the CSF expansion coefficients are neither referenced nor required. This allows MCSCF orbital optimisation to be performed for essentially unlimited numbers of active orbitals and arbitrarily large CSF expansions. The discussion includes various types of CSF expansion spaces, the partitioning of the essential and redundant orbital optimisation parameters, the computation of the spin-density, and the formulation of state-specific analytic gradients and nonadiabatic coupling for high-level electronic structure methods that use the ACME MCSCF orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Spatial consistency of Chinook salmon redd distribution within and among years in the Cowlitz River, Washington

We investigated the spawning patterns of Chinook salmon Oncorhynchus tshawytscha on the lower Cowlitz River, Washington (USA) using a unique set of fine- and coarse-scale 35 temporal and spatial data collected during bi-weekly aerial surveys conducted in 1991-2009 (500 m to 28 km resolution) and 2008-2009 (100-500 m resolution). Redd locations were mapped from a helicopter during 2008 and 2009 with a hand-held global positioning system (GPS) synchronized with in-flight audio recordings. We examined spatial patterns of Chinook salmon redd reoccupation among and within years in relation to segment-scale geomorphic features. Chinook salmon spawned in the same sections each year with little variation among years. On a coarse scale, five years (1993, 1998, 2000, 2002, and 2009) were compared for reoccupation. Redd locations were highly correlated among years resulting in a minimum correlation coefficient of 0.90 (adjusted P = 0.002). Comparisons on a fine scale (500 m) between 2008 and 2009 also revealed a high degree of consistency among redd locations (P < 0.001). On a finer temporal scale, we observed that salmon spawned in the same sections during the first and last week (2008: P < 0.02; and 2009: P < 0.001). Redds were clustered in both 2008 and 2009 (P < 0.001). Regression analysis with a generalized linear model at the 500-m scale indicated that river kilometer and channel bifurcation were positively associated with redd density, whereas sinuosity was negatively associated with redd density. Collecting data on specific redd locations with a GPS during aerial surveys was logistically feasible and cost effective and greatly enhanced the spatial precision of Chinook salmon spawning surveys.

habitat management↗
DOE OSTI2024

Simultaneous compression of NaCl, Au, and ruby: toward mutually consistent pressure scales

Here, we evaluate pressure consistency of equations of state (EOS) for NaCl and Au at 300 K. The simultaneous measurements of unit-cell volumes (V) with ruby R1 line shifts (Δλ) in a helium (He) loaded diamond cell effectively remove potential systematic errors. Compression and decompression data were automatically collected at 1 sec interval, yielding a dense dataset with >8,000 (V, Δλ) pairs each for NaCl and Au. Solidification of He has noticeable effects on both V and Delta lambda (hence P). Only data up to similar to 14 GPa, or 6000 (V, P) pairs, can be considered hydrostatic within the resolution. The P-V data are fitted to the Rydberg-Vinet and the 3 rd order Birch-Murnaghan EOS. Predicted pressures of these EOSs agree with those given by the Ruby2020 ruby scale to within +/- 0.05 GPa. Overall, pressures predicted by the Rydberg-Vinet EOS are in better agreement with the average of commonly used NaCl and Au pressure scales.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

A self-consistent method to assess air quality co-benefits from U.S. climate policies

Air quality co-benefits can possibly reduce the costs of greenhouse gas mitigation. However, whereas many studies of the cost of greenhouse gas mitigation model the macroeconomic welfare impacts of mitigation, most studies of air quality co-benefits do not. We enable a U.S. computable general equilibrium economic model previously linked to an air quality modeling system and enhance it to represent the economy-wide welfare impacts of fine particulate matter. We introduce a first application of this method to explore the efficiency and distributional implications of a Clean Energy Standard (CES) and a Cap and Trade (CAT) program that both reduce CO 2 emissions by 10% in 2030 relative to 2006. We find that co-benefits from fine particulate matter reduction (median $\$$6; $\$$2 to $\$$10/tCO 2 ) completely offset policy costs by 110% (40% to 190%), transforming the net welfare impact of the CAT into a gain of $\$$1 (-$\$$5 to $\$$7) billion 2005 $\$$. For the CES, the corresponding co-benefit (median $\$$8; $\$$3 to $\$$14/tCO 2 ) is a smaller fraction (median 5%; 2% to 9%) of its higher policy cost. The eastern United States garners 78% and 71% of co-benefits for the CES and CAT, respectively. By representing the effects of pollution-related morbidities and mortalities as an impact to labor and the demand for health services, we find that the welfare impact per unit of reduced pollution varies by region. These interregional differences can enhance the preference of some regions, such as Texas, for a CAT over a CES, or switch the calculation of which policy yields higher co-benefits, compared with an approach that uses one valuation for all regions. This framework could be applied to quantify consistent air quality impacts of other pricing instruments, subnational trading programs, or green tax swaps.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

SECULAR BEHAVIOR OF EXOPLANETS: SELF-CONSISTENCY AND COMPARISONS WITH THE PLANET-PLANET SCATTERING HYPOTHESIS

If mutual gravitational scattering among exoplanets occurs, then it may produce unique orbital properties. For example, two-planet systems that lie near the boundary between circulation and libration of their periapses could result if planet-planet scattering ejected a former third planet quickly, leaving one planet on an eccentric orbit and the other on a circular orbit. We first improve upon previous work that examined the apsidal behavior of known multiplanet systems by doubling the sample size and including observational uncertainties. This analysis recovers previous results that demonstrated that many systems lay on the apsidal boundary between libration and circulation. We then performed over 12,000 three-dimensional N-body simulations of hypothetical three-body systems that are unstable, but stabilize to two-body systems after an ejection. Using these synthetic two-planet systems, we test the planet-planet scattering hypothesis by comparing their apsidal behavior, over a range of viewing angles, to that of the observed systems and find that they are statistically consistent regardless of the multiplicity of the observed systems. Finally, we combine our results with previous studies to show that, from the sampled cases, the most likely planetary mass function prior to planet-planet scattering follows a power law with index -1.1. We find that this pre-scattering mass function predicts a mutual inclination frequency distribution that follows an exponential function with an index between -0.06 and -0.1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Bayesian investigation of isochrone consistency using the old open cluster NGC 188

This paper provides a detailed comparison of the differences in parameters derived for a star cluster from its color–magnitude diagrams (CMDs) depending on the filters and models used. We examine the consistency and reliability of fitting three widely used stellar evolution models to 15 combinations of optical and near-IR photometry for the old open cluster NGC 188. The optical filter response curves match those of theoretical systems and are thus not the source of fit inconsistencies. NGC 188 is ideally suited to this study thanks to a wide variety of high-quality photometry and available proper motions and radial velocities that enable us to remove non-cluster members and many binaries. Our Bayesian fitting technique yields inferred values of age, metallicity, distance modulus, and absorption as a function of the photometric band combinations and stellar models. We show that the historically favored three-band combinations of UBV and VRI can be meaningfully inconsistent with each other and with longer baseline data sets such as UBVRIJHK{sub S}. Differences among model sets can also be substantial. For instance, fitting Yi et al. (2001) and Dotter et al. (2008) models to UBVRIJHK{sub S} photometry for NGC 188 yields the following cluster parameters: age = (5.78 ± 0.03, 6.45 ± 0.04) Gyr, [Fe/H] = (+0.125 ± 0.003, −0.077 ± 0.003) dex, (m−M){sub V} = (11.441 ± 0.007, 11.525 ± 0.005) mag, and A{sub V} = (0.162 ± 0.003, 0.236 ± 0.003) mag, respectively. Within the formal fitting errors, these two fits are substantially and statistically different. Such differences among fits using different filters and models are a cautionary tale regarding our current ability to fit star cluster CMDs. Additional modeling of this kind, with more models and star clusters, and future Gaia parallaxes are critical for isolating and quantifying the most relevant uncertainties in stellar evolutionary models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SELF-CONSISTENT ORBITS AND PHYSICAL PROPERTIES FOR EIGHT SINGLE-LINED SPECTROSCOPIC BINARIES

For single-lined spectroscopic binaries (SB1s), self-consistent orbits can be determined via a simultaneous fit including both radial velocity data and the Hipparcos Intermediate Astrometric Data. Using the ratio λ of the semimajor axes of the photocenter to the primary orbits, the present paper develops an iterative fitting method. First, an initial orbit of an SB1 is determined with the assumption that λ equals 1. On the basis of this orbit, we use a stellar evolutionary model to distribute the total mass and luminosity to the primary and the secondary and update λ from the component mass and luminosity ratios. Then the orbit is updated using the updated value of λ, which completes a step of the iterative process. If this process is convergent, the resulting orbit is compatible with the physical properties of component stars. By using this method, the orbital solutions of eight SB1s as well as the physical properties are determined. We find that the component magnitude differences of these systems are very large, except for HIP 7143 and 45333. This suggests that only the secondaries of the two systems can be resolved with the present-day observational techniques, which is in agreement with recent observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

THE COSMOLOGICAL BULK FLOW: CONSISTENCY WITH {Lambda}CDM AND z {approx} 0 CONSTRAINTS ON {sigma}{sub 8} AND {gamma}

We derive estimates for the cosmological bulk flow from the SFI++ Tully-Fisher (TF) catalog. For a sphere of radius 40 h{sup -1} Mpc centered on the Milky Way, we derive a bulk flow of 333 {+-} 38 km s{sup -1} toward Galactic (l, b) = (276 deg., 14 deg.) within a 3{sup 0} 1{sigma} error. Within a radius of 100h{sup -1} Mpc we get 257 {+-} 44 km s{sup -1} toward (l, b) = (279 deg., 10 deg.) within a 6 deg. error. These directions are at 40 deg. to the Supergalactic plane, close to the apex of the motion of the Local Group of galaxies after the Virgocentric infall correction. Our findings are consistent with the {Lambda}CDM model with the latest Wilkinson Microwave Anisotropy Probe (WMAP) best-fit cosmological parameters, but the bulk flow allows independent constraints. For the WMAP-inferred Hubble parameter h = 0.71 and baryonic mean density parameter {Omega}{sub b} = 0.0449, the constraint from the bulk flow on the matter density, {Omega}{sub m}, the normalization of the density fluctuations, {sigma}{sub 8}, and the growth index, {gamma}, can be expressed as {sigma}{sub 8}{Omega}{sup {gamma}-0.55}{sub m}({Omega}{sub m}/0.266){sup 0.28} = 0.86 {+-} 0.11 (for {Omega}{sub m} {approx} 0.266). Fixing {sigma}{sub 8} = 0.8 and {Omega}{sub m} = 0.266 as favored by WMAP, we get {gamma} = 0.495 {+-} 0.096. The constraint derived here rules out popular Dvali-Gabadadze-Porrati models at more than the 99% confidence level. Our results are based on the All Space Constrained Estimate (ACSE) model which reconstructs the bulk flow from an all space three-dimensional peculiar velocity field constrained to match the TF measurements. At large distances, ASCE generates a robust bulk flow from the SFI++ survey that is insensitive to the assumed prior. For comparison, a standard straightforward maximum likelihood estimate leads to very similar results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE CONSISTENCY OF NEUTRON-STAR RADIUS MEASUREMENTS FROM THERMONUCLEAR BURSTS

The radius of neutron stars can in principle be measured via the normalization of a blackbody fitted to the X-ray spectrum during thermonuclear (type-I) X-ray bursts, although few previous studies have addressed the reliability of such measurements. Here we examine the apparent radius in a homogeneous sample of long, mixed H/He bursts from the low-mass X-ray binaries GS 1826-24 and KS 1731-26. The measured blackbody normalization (proportional to the emitting area) in these bursts is constant over a period of up to 60 s in the burst tail, even though the flux (blackbody temperature) decreased by a factor of 60%-75% (30%-40%). The typical rms variation in the mean normalization from burst to burst was 3%-5%, although a variation of 17% was found between bursts observed from GS 1826-24 in two epochs. A comparison of the time-resolved spectroscopic measurements during bursts from the two epochs shows that the normalization evolves consistently through the burst rise and peak, but subsequently increases further in the earlier epoch bursts. The elevated normalization values may arise from a change in the anisotropy of the burst emission or alternatively variations in the spectral correction factor, f{sub c} , of order 10%. Since burst samples observed from systems other than GS 1826-24 are more heterogeneous, we expect that systematic uncertainties of at least 10% are likely to apply generally to measurements of neutron-star radii, unless the effects described here can be corrected for.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

CONNECTING THE SUN AND THE SOLAR WIND: THE FIRST 2.5-DIMENSIONAL SELF-CONSISTENT MHD SIMULATION UNDER THE ALFVEN WAVE SCENARIO

The solar wind emanates from the hot and tenuous solar corona. Earlier studies using 1.5-dimensional simulations show that Alfven waves generated in the photosphere play an important role in coronal heating through the process of nonlinear mode conversion. In order to understand the physics of coronal heating and solar wind acceleration together, it is important to consider the regions from photosphere to interplanetary space as a single system. We performed 2.5-dimensional, self-consistent magnetohydrodynamic simulations, covering from the photosphere to the interplanetary space for the first time. We carefully set up the grid points with spherical coordinates to treat the Alfven waves in the atmosphere with huge density contrast and successfully simulate the solar wind streaming out from the hot solar corona as a result of the surface convective motion. The footpoint motion excites Alfven waves along an open magnetic flux tube, and these waves traveling upward in the non-uniform medium undergo wave reflection, nonlinear mode conversion from Alfven mode to slow mode, and turbulent cascade. These processes lead to the dissipation of Alfven waves and acceleration of the solar wind. It is found that the shock heating by the dissipation of the slow-mode wave plays a fundamental role in the coronal heating process, whereas the turbulent cascade and shock heating drive the solar wind.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ACCELERATION IN PERPENDICULAR RELATIVISTIC SHOCKS FOR PLASMAS CONSISTING OF LEPTONS AND HADRONS

We investigate the acceleration of light particles in perpendicular shocks for plasmas consisting of a mixture of leptonic and hadronic particles. Starting from the full set of conservation equations for the mixed plasma constituents, we generalize the magnetohydrodynamical jump conditions for a multi-component plasma, including information about the specific adiabatic constants for the different species. The impact of deviations from the standard model of an ideal gas is compared in theory and particle-in-cell simulations, showing that the standard MHD model is a good approximation. The simulations of shocks in electron-positron-ion plasmas are for the first time multi-dimensional, transverse effects are small in this configuration, and one-dimensional (1D) simulations are a good representation if the initial magnetization is chosen high. 1D runs with a mass ratio of 1836 are performed, which identify the Larmor frequency {omega}{sub ci} as the dominant frequency that determines the shock physics in mixed component plasmas. The maximum energy in the non-thermal tail of the particle spectra evolves in time according to a power law {proportional_to}t{sup {alpha}} with {alpha} in the range 1/3 < {alpha} < 1, depending on the initial parameters. A connection is made with transport theoretical models by Drury and Gargate and Spitkovsky, which predict an acceleration time {proportional_to}{gamma} and the theory for small wavelength scattering by Kirk and Reville, which predicts a behavior rather as {proportional_to}{gamma}{sup 2}. Furthermore, we compare different magnetic field orientations with B{sub 0} inside and out of the plane, observing qualitatively different particle spectra than in pure electron-ion shocks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

VERIFYING ASTEROSEISMICALLY DETERMINED PARAMETERS OF KEPLER STARS USING HIPPARCOS PARALLAXES: SELF-CONSISTENT STELLAR PROPERTIES AND DISTANCES

Accurately determining the properties of stars is of prime importance for characterizing stellar populations in our Galaxy. The field of asteroseismology has been thought to be particularly successful in such an endeavor for stars in different evolutionary stages. However, to fully exploit its potential, robust methods for estimating stellar parameters are required and independent verification of the results is mandatory. With this purpose, we present a new technique to obtain stellar properties by coupling asteroseismic analysis with the InfraRed Flux Method. By using two global seismic observables and multi-band photometry, the technique allows us to obtain masses, radii, effective temperatures, bolometric fluxes, and hence distances for field stars in a self-consistent manner. We apply our method to 22 solar-like oscillators in the Kepler short-cadence sample, that have accurate Hipparcos parallaxes. Our distance determinations agree to better than 5%, while measurements of spectroscopic effective temperatures and interferometric radii also validate our results. We briefly discuss the potential of our technique for stellar population analysis and models of Galactic Chemical Evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

SELF-CONSISTENT MAGNETIC STELLAR EVOLUTION MODELS OF THE DETACHED, SOLAR-TYPE ECLIPSING BINARY EF AQUARII

We introduce a new one-dimensional stellar evolution code, based on the existing Dartmouth code, that self-consistently accounts for the presence of a globally pervasive magnetic field. The methods involved in perturbing the equations of stellar structure, the equation of state, and the mixing-length theory of convection are presented and discussed. As a first test of the code's viability, stellar evolution models are computed for the components of a solar-type, detached eclipsing binary (DEB) system, EF Aquarii, shown to exhibit large disagreements with stellar models. The addition of the magnetic perturbation corrects the radius and effective temperature discrepancies observed in EF Aquarii. Furthermore, the required magnetic field strength at the model photosphere is within a factor of two of the magnetic field strengths estimated from the stellar X-ray luminosities measured by ROSAT and those predicted from Ca II K line core emission. These models provide firm evidence that the suppression of thermal convection arising from the presence of a magnetic field is sufficient to significantly alter the structure of solar-type stars, producing noticeably inflated radii and cooler effective temperatures. The inclusion of magnetic effects within a stellar evolution model has a wide range of applications, from DEBs and exoplanet host stars to the donor stars of cataclysmic variables.

79 ASTRONOMY AND ASTROPHYSICS↗