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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Variational wavefunction for multi-species spinful fermionic superfluids and superconductors

We introduce a new fermionic variational wavefunction, generalizing the Bardeen–Cooper–Schrieffer (BCS) wavefunction, which is suitable for interacting multi-species spinful systems and sustaining superfluidity. Applications range from quark matter to the high temperature superconductors. A wide class of Hamiltonians, comprising interactions and hybridization of arbitrary momentum dependence between different fermion species, can be treated in a comprehensive manner. This is the case, as both the intra-species and the inter-species interactions are treated on equally rigorous footing, which is accomplished via the introduction of a new quantum index attached to the fermions. The index is consistent with known fermionic physics, and allows for heretofore unaccounted fermion–fermion correlations. We have derived the finite temperature version of the theory, thus obtaining the renormalized quasiparticle dispersion relations, and we discuss the appearance of charge and spin density wave order. We present numerical solutions for two electron species in 2 dimensions. Based on these solutions, we show that, for equivalent spin up and down fermions, the Fermi occupation factor (per spin) equals 1/2 deep in the Fermi sea. This constitutes a unique experimental prediction of the theory, both for the normal and superfluid states. Interestingly, this result, obtained in the thermodynamic limit, is consistent with Fermi occupation factor (in-)equalities for finite systems of electrons, derived (in a different context) by Borland and Dennis (1972) and by Altunbulak and Klyachko (2008)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Non-isotropic turbulence effects on spray combustion

A numerical model for the prediction of local properties of statistically stationary spray-combusting flows is evaluated by comparison with experimental data. To appraise the relative performance of turbulence models, computations were carried out by the k-epsilon model and the algebraic stress model. The present numerical results show the qualitative agreement with experimental data. In terms of overall local flow properties, the algebraic stress model improves a degree of conformity to the experimental data due to its ability to introduce the nonisotropic turbulence effects. Two swirl numbers are considered to investigate the influence of swirl on the droplet evaporation and trajectories, and the effects of droplet/turbulence interactions in flow properties. It is found that the large swirl produces a higher evaporationn rate, and more intensive turbulent mixing and burning. The discrepancies observed in the results are attributed mainly to uncertainties in the initial spray size and velocity distributions, the droplet/wall impingement interaction, the combustion model with the fast chemistry and the turbulence models dealing with the strong streamline curvature and complex interactions between the dispersed droplets and the continuous gas-phase flows.

Kim, Y. M.↗
NASA NTRS1997

Retrieval of Soil Moisture and Roughness from the Polarimetric Radar Response

The main objective of this investigation was the characterization of soil moisture using imaging radars. In order to accomplish this task, a number of intermediate steps had to be undertaken. In this proposal, the theoretical, numerical, and experimental aspects of electromagnetic scattering from natural surfaces was considered with emphasis on remote sensing of soil moisture. In the general case, the microwave backscatter from natural surfaces is mainly influenced by three major factors: (1) the roughness statistics of the soil surface, (2) soil moisture content, and (3) soil surface cover. First the scattering problem from bare-soil surfaces was considered and a hybrid model that relates the radar backscattering coefficient to soil moisture and surface roughness was developed. This model is based on extensive experimental measurements of the radar polarimetric backscatter response of bare soil surfaces at microwave frequencies over a wide range of moisture conditions and roughness scales in conjunction with existing theoretical surface scattering models in limiting cases (small perturbation, physical optics, and geometrical optics models). Also a simple inversion algorithm capable of providing accurate estimates of soil moisture content and surface rms height from single-frequency multi-polarization radar observations was developed. The accuracy of the model and its inversion algorithm is demonstrated using independent data sets. Next the hybrid model for bare-soil surfaces is made fully polarimetric by incorporating the parameters of the co- and cross-polarized phase difference into the model. Experimental data in conjunction with numerical simulations are used to relate the soil moisture content and surface roughness to the phase difference statistics. For this purpose, a novel numerical scattering simulation for inhomogeneous dielectric random surfaces was developed. Finally the scattering problem of short vegetation cover above a rough soil surface was considered. A general scattering model for grass-blades of arbitrary cross section was developed and incorporated in a first order random media model. The vegetation model and the bare-soil model are combined and the accuracy of the combined model is evaluated against experimental observations from a wheat field over the entire growing season. A complete set of ground-truth data and polarimetric backscatter data were collected. Also an inversion algorithm for estimating soil moisture and surface roughness from multi-polarized multi-frequency observations of vegetation-covered ground is developed.

Sarabandi, Kamal↗
DOE OSTI2021

Modeling the Impact of Riparian Hollows on River Corridor Nitrogen Exports

Recent studies in snowmelt-dominated catchments have documented changes in nitrogen (N) retention over time, such as declines in watershed exports of N, though there is a limited understanding of the controlling processes driving these trends. Working in the mountainous headwater East River Colorado watershed, we explored the effects of riparian hollows as N-cycling hotspots and as important small-scale controls on observed watershed trends. Using a modeling-based approach informed by remote sensing and in situ observations, we simulated the N-retention capacity of riparian hollows with seasonal and yearly hydrobiogeochemical perturbations imposed as drivers. We then implemented a scaling approach to quantify the relative contribution of riparian hollows to the total river corridor N budget. We found that riparian hollows primarily serve as N sinks, with N-transformation rates significantly limited by periods of enhanced groundwater upwelling and promoted at the onset of rainfall events. Given these observed hydrologic controls, we expect that the nitrate ( NO 3 - ) sink capacity of riparian hollows will increase in magnitude with future climatic perturbations, specifically the shift to more frequent rainfall events and fewer snowmelt events, as projected for many mountainous headwater catchments. Our current estimates suggest that while riparian hollows provision ~5–20% of NO 3 - to the river network, they functionally act as inhibitors to upland NO 3 - reaching the stream. Our work linking transient hydrological conditions to numerical biogeochemical simulations is an important step in assessing N-retaining features relative to the watershed N budget and better understanding the role of small-scale features within watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Parametric estimate of the relative photon yields from the glasma and the quark-gluon plasma in heavy-ion collisions

Recent classical-statistical numerical simulations have established the “bottom-up” thermalization scenario of Baier et al. [Phys. Lett. B 502, 51 (2001)] as the correct weak coupling effective theory for thermalization in ultrarelativistic heavy-ion collisions. In this paper, we perform a parametric study of photon production in the various stages of this bottom-up framework to ascertain the relative contribution of the off-equilibrium “glasma” relative to that of a thermalized quark-gluon plasma. Taking into account the constraints imposed by the measured charged hadron multiplicities at Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC), we find that glasma contributions are important especially for large values of the saturation scale at both energies. Finally, these nonequilibrium effects should therefore be taken into account in studies where weak coupling methods are employed to compute photon yields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

The Heliotail: Theory and Modeling

Physical processes are discussed related to the heliotail which is formed when the solar wind interacts with the local interstellar medium. Although astrotails are commonly observed, the heliotail observations are only indirect. As a consequence, the direct comparison of the observed astrophysical objects and the Sun is impossible. This requires proper theoretical understanding of the heliotail formation and evolution, and numerical simulations in sufficiently large computational boxes. In this paper, we review some previous results related to the heliotail flow and show new simulations which demonstrate that the solar wind collimation inside the Parker spiral field lines diverted by the heliopause toward the heliotail is unrealistic. On the contrary, solar cycle effects ensure that the solar wind density reaches its largest values near the solar equatorial plane. We also argue that a realistic heliotail should be very long to account for the observed anisotropy of 1-10 TeV cosmic rays.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Numerical implementation of non-local polycrystal plasticity using fast Fourier transforms

Here, we present the numerical implementation of a non-local polycrystal plasticity theory using the FFT-based formulation of Suquet and co-workers. Gurtin (2002) non-local formulation, with geometry changes neglected, has been incorporated in the EVP-FFT algorithm of Lebensohn et al. (2012). Numerical procedures for the accurate estimation of higher order derivatives of micromechanical fields, required for feedback into single crystal constitutive relations, are identified and applied. A simple case of a periodic laminate made of two fcc crystals with different plastic properties is first used to assess the soundness and numerical stability of the proposed algorithm and to study the influence of different model parameters on the predictions of the non-local model. Different behaviors at grain boundaries are explored, and the one consistent with the micro-clamped condition gives the most pronounced size effect. The formulation is applied next to 3-D fcc polycrystals, illustrating the possibilities offered by the proposed numerical scheme to analyze the mechanical response of polycrystalline aggregates in three dimensions accounting for size dependence arising from plastic strain gradients with reasonable computing times.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Spectrum of spin waves in cold polarized gases

The spin dynamics of cold polarized gases are investigated using the Boltzmann equation. The dispersion relation for spin waves (transverse component of the magnetic moment) and the spin diffusion coefficient of the longitudinal component of the magnetic moment are calculated without using fitting parameters. The spin wave frequency and the diffusion coefficient for rubidium atoms are estimated numerically.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2019

Quantifying the Relative Impact of Model Microphysics Parameterizations and Scattering Models in Simulating Synthetic Radar and Microwave Radiometer Observations

Output from numerical weather models is often used to simulate observations from remote sensing instruments, for purposes ranging from data assimilation, synthetic retrievals of geophysical quantities, and optimization of observing systems. However, when hydrometeors are present, the level of detail provided by the weather model is generally insufficient to fully constrain the input to the radiative transfer model (RTM), and further assumptions must be made by the RTM user in order to produce synthetic observations. Using a hierarchy of models including cloud-resolving, double-moment, bin microphysical, and ice-habit predicting models, along with scattering properties from the OpenSSP, Atmospheric Radiative Transfer Simulator (ARTS) databases, as well as relatively simple geometries (e.g., cylindrical plates and columns), we demonstrate the spread in synthetic observation output and the extent to which it is reduced when microphysics is more strongly constrained by the model. As an intermediate step, an error budget for the RTM simulations was derived and from that we developed and will describe best practices for observation simulation (e.g., optimal number of hydrometeor size bins, truncation of the particle size distribution, angular resolution of scattering phase function). Some statistical comparisons with observations will also be presented.

Munchak, S. Joseph↗
NASA NTRS1999

Global Acceleration of Coronal Mass Ejections

Using the observed relation between speeds of coronal mass ejections (CMEs) near the Sun and in the solar wind, we estimate a global acceleration acting on the CMEs. Our study quantifies the qualitative results of Gosling [1997] and numerical simulations that CMEs at 1 AU with speeds closer to the solar wind. We found a linear relation between the global acceleration and the initial speed of the CMEs and the absolute value of the acceleration is similar to the slow solar wind acceleration. Our study naturally divides CMEs into fast and slow ones, the dividing line being the solar wind speed. Our results have important implications to space weather prediction models which need to incorporate this effect in estimating the CME arrival time at 1 AU. We show that the arrival times of CMEs at 1 AU are drastically different from the zero acceleration case.

Gopalswamy, Nat↗
DOE OSTI2014

Enforcing positivity in intrusive PC-UQ methods for reactive ODE systems

We explore the relation between the development of a non-negligible probability of negative states and the instability of numerical integration of the intrusive Galerkin ordinary differential equation system describing uncertain chemical ignition. To prevent this instability without resorting to either multi-element local polynomial chaos (PC) methods or increasing the order of the PC representation in time, we propose a procedure aimed at modifying the amplitude of the PC modes to bring the probability of negative state values below a user-defined threshold. This modification can be effectively described as a filtering procedure of the spectral PC coefficients, which is applied on-the-fly during the numerical integration when the current value of the probability of negative states exceeds the prescribed threshold. We demonstrate the filtering procedure using a simple model of an ignition process in a batch reactor. This is carried out by comparing different observables and error measures as obtained by non-intrusive Monte Carlo and Gauss-quadrature integration and the filtered intrusive procedure. The filtering procedure has been shown to effectively stabilize divergent intrusive solutions, and also to improve the accuracy of stable intrusive solutions which are close to the stability limits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Middle East Respiratory Syndrome Coronavirus Intra-Host Populations Are Characterized by Numerous High Frequency Variants

Middle East respiratory syndrome coronavirus (MERS-CoV) is an emerging human pathogen related to SARS virus. In vitro studies indicate this virus may have a broad host range suggesting an increased pandemic potential. Genetic and epidemiological evidence indicate camels serve as a reservoir for MERS virus but the mechanism of cross species transmission is unclear and many questions remain regarding the susceptibility of humans to infection. Deep sequencing data was obtained from the nasal samples of three camels that had been experimentally infected with a human MERS-CoV isolate. A majority of the genome was covered and average coverage was greater than 12,000x depth. Although only 5 mutations were detected in the consensus sequences, 473 intrahost single nucleotide variants were identified. Lastly, many of these variants were present at high frequencies and could potentially influence viral phenotype and the sensitivity of detection assays that target these regions for primer or probe binding.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Numerical study of cathode emission constraints on cylindrical self-field MPD thruster performance

A stability equation relating thruster discharge current, argon propellant mass flow rate, and electrode geometry has been solved for a variety of cylindrical self-field MPD thruster configurations and discharge currents. Realistic values for cathode emission current densities were used to provide additional constraints on the thruster geometries. A two-dimensional MPD code was employed to provide better estimates of the maximum achievable specific impulse, thrust, and flow efficiency for cases of interest. The model results indicate that long life, cylindrical self-field MPD thrusters operated with argon propellant may not be able to provide specific impulse values in excess of 2100s. Alternate electrode geometries, applied magnetic fields, and/or low molecular weight propellants may be necessary to achieve higher values of specific impulse.

Lapointe, Michael R.↗
NASA NTRS1999

Identification of Gravity-Related Effects on Crystal Growth From Melts With an Immiscibility Gap

This work involves an experimental-numerical approach to study the effects of natural and Marangoni convections on solidification of single crystals from a silicate melt with a liquid-liquid immiscibility gap. Industrial use of crystals grown from silicate melts is becoming increasingly important in electronic, optical, and high temperature structural applications. Even the simplest silicate systems like Al203-SiO2 have had, and will continue to have, a significant role in the development of traditional and advanced ceramics. A unique feature of crystals grown from the silicate systems is their outstanding linear electro-optic properties. They also exhibit exceptionally high optical rotativity. As a result, these crystals are attractive materials for dielectric, optical, and microwave applications. Experimental work in our laboratory has indicated that directional solidification of a single crystal mullite appears to be preceded by liquid-liquid phase separation in the melt. Disruption of the immiscible state results in crystallization of a two phase structure. There is also evidence that mixing in the melt caused by density-driven convection can significantly affect the stability of the immiscible liquid layers and result in poly-crystalline growth. On earth, the immiscible state has only been observed for small diameter crystals grown in float zone systems where natural convection is almost negligible. Therefore, it is anticipated that growth of large single crystals from silicate melts would benefit from microgravity conditions because of the reduction of the natural convective mixing. The main objective of this research is to determine the effects of transport processes on the phase separation in the melt during growth of a single crystal while addressing the following issues: (1) When do the immiscible layers form and are they real?; (2) What are the main physical characteristics of the immiscible liquids?; and (3) How mixing by natural or Marangoni convection affects the stability of the phase separated melt.

Kassemi, M.↗
DOE OSTI2016

Extending the density functional embedding theory to finite temperature and an efficient iterative method for solving for embedding potentials

A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system’s density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, we introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Complementarity-based complementarity: The choice of mutually unbiased observables shapes quantum uncertainty relations

Quantum uncertainty relations impose fundamental limits on the joint knowledge that can be acquired from complementary observables: Perfect knowledge of a quantum state in one basis implies maximal indetermination in all other mutually unbiased bases (MUBs). Uncertainty relations derived from joint properties of the MUBs are generally assumed to be uniform, irrespective of the specific observables chosen within a set. In this work, we demonstrate instead that the uncertainty relations can depend on the choice of observables. Through both experimental observation and numerical methods, we show that selecting different sets of three MUBs in a five-dimensional quantum system results in distinct uncertainty bounds, i.e., in varying degrees of complementarity, in terms of both entropy and variance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Efficient Scalable Parallel Higher Order Direct MoM-SIE Method With Hierarchically Semiseparable Structures for 3-D Scattering

A novel fast scalable parallel algorithm is proposed for the solution of large 3-D scattering problems based on: 1) the double (geometrical and current-approximation) higher order (DHO) method of moments (MoM) in the surface integral equation (SIE) formulation and 2) a direct solver for dense linear systems utilizing hierarchically semiseparable (HSS) structures. Namely, an HSS matrix representation is used for compression, factorization, and solution of the system matrix. In addition, a rank-revealing QR decomposition for memory compression is used, with a stopping criterion in terms of the relative rank tolerance value. One method for geometrical preprocessing of the scatterers based on the cobblestone distance sorting technique is employed in order to enhance the HSS algorithm accuracy and parallelization. Numerical examples show how the accuracy of the DHO HSS-MoM-SIE method is easily controllable by using the relative tolerance for the matrix compression. Furthermore, the examples demonstrate low memory consumption, as well as much faster simulation time, when compared to the direct LU decomposition. The method enables dramatically faster monostatic scattering computations than iterative solvers and reduced number of unknowns when compared to low-order discretizations. Finally, great scalability of the algorithm is demonstrated on more than one thousand processes.

97 MATHEMATICS AND COMPUTING↗