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At least 793 records · Page 44

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DOE OSTI2019

Kinetic Theory of Spin Diffusion and Superdiffusion in X X Z Spin Chains

We address the nature of spin transport in the integrable XXZ spin chain, focusing on the isotropic Heisenberg limit. We calculate the diffusion constant using a kinetic picture based on generalized hydrodynamics combined with Gaussian fluctuations: we find that it diverges, and show that a self-consistent treatment of this divergence gives superdiffusion, with an effective time-dependent diffusion constant that scales as $D(t) \sim t^{1/3}$. This exponent had previously been observed in large-scale numerical simulations, but had not been theoretically explained. We briefly discuss XXZ models with easy-axis anisotropy $\Delta > 1$. Our method gives closed-form expressions for the diffusion constant $D$ in the infinite-temperature limit for all $\Delta > 1$. We find that $D$ saturates at large anisotropy, and diverges as the Heisenberg limit is approached, as $D \sim (\Delta - 1)^{-1/2}$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Reaction-diffusion modeling provides insights into biophysical carbon-concentrating mechanisms in land plants

Carbon-concentrating mechanisms (CCMs) have evolved numerous times in photosynthetic organisms. They elevate the concentration of CO 2 around the carbon-fixing enzyme rubisco, thereby increasing CO 2 assimilatory flux and reducing photorespiration. Biophysical CCMs, like the pyrenoid-based CCM (PCCM) of Chlamydomonas reinhardtii or carboxysome systems of cyanobacteria, are common in aquatic photosynthetic microbes, but in land plants appear only among the hornworts. To predict the likely efficiency of biophysical CCMs in C 3 plants, we used spatially resolved reaction-diffusion models to predict rubisco saturation and light use efficiency. We found that the energy efficiency of adding individual CCM components to a C 3 land plant is highly dependent on the permeability of lipid membranes to CO 2 , with values in the range reported in the literature that are higher than those used in previous modeling studies resulting in low light use efficiency. Adding a complete PCCM into the leaf cells of a C 3 land plant was predicted to boost net CO 2 fixation, but at higher energetic costs than those incurred by photorespiratory losses without a CCM. Two notable exceptions were when substomatal CO 2 levels are as low as those found in land plants that already use biochemical CCMs and when gas exchange is limited, such as with hornworts, making the use of a biophysical CCM necessary to achieve net positive CO 2 fixation under atmospheric CO 2 levels. This provides an explanation for the uniqueness of hornworts' CCM among land plants and the evolution of pyrenoids multiple times.

Kaste, Joshua A. M.↗

DOE OSTI2018

Electron-Transfer Coefficients in Weakly Ionized Plasma with Dust Particles

Based on a numerical solution of the Boltzmann equation and the equation for charging monodisperse macroparticles, the influence of dust on the electron-transfer coefficients is investigated in a weakly ionized plasma within the range of the reduced-field values E/N = 5·10{sup −18}–1·10{sup −15} V·cm2 and dust parameters nd a{sup 2} = 10{sup −4}–5·10{sup −3} cm{sup −1}. It is shown that in the region of small values of E/N the diffusion and mobility coefficients in the argon plasma increase upon addition of dust, given the invariable reduced-field value. The effect is accounted for by the presence of a Ramsauer minimum in the transport cross-section of particle collisions. For the discharge in helium, the deviations in the transfer coefficients after the introduction of dust are less pronounced. The presence of dust changes the structure of the electron energy loss during collisions – the fraction of inelastic loss becomes essential in the entire range of the E/N values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Two-Level Least Squares Methods in Krylov Subspaces

Two-level least squares acceleration approaches are applied to the Chebyshev acceleration method and the restarted conjugate residual method in solving systems of linear algebraic equations with sparse unsymmetric coefficient matrices arising from finite volume or finite element approximations of boundary-value problems on irregular grids. Application of the proposed idea to other iterative restarted processes also is considered. The efficiency of the algorithms suggested is investigated numerically on a set of model Dirichlet problems for the convection-diffusion equation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

The Method of Finite Averages: A rigorous upscaling methodology for heterogeneous porous media

Rigorous upscaling techniques offer accurate and computationally-efficient strategies for modeling the average behaviors of multi-physical, multiscale phenomena in geological porous media. However, such techniques often rely on a variety of methodological assumptions that prohibit their rigorous application to practical systems (e.g., systems involving heterogeneous porous media, system-scale boundary conditions, and fine-scale dynamics that are not diffusion-dominant). In this work, we aim to formulate an upscaling methodology with few methodological assumptions to provide high levels of model generality and foster the utilization of rigorously-derived upscaled models in practice. In particular, we introduce the Method of Finite Averages (MoFA), a novel upscaling methodology for rigorously modeling heterogeneous porous media and system-scale boundary conditions. We then detail MoFA’s implementation for the advective–diffusive transport of a single species and compare the methodology with classic numerical techniques, as well as other rigorous upscaling techniques, to highlight MoFA’s unique combination of rigor and generality. We then validate the derived model while demonstrating its benefits in three numerical experiments. The results suggest that (1.) the applicability and a priori error guarantees of MoFA models do not directly depend on system geometry, (2.) a model’s applicability and error guarantees can be can arbitrarily expanded and reduced, respectively, with further computational expense, and (3.) downscaling with MoFA provides an efficient strategy for generating accurate pore-scale solutions from upscaled results. Ultimately, the results evidence that upscaled models can be rigorously derived for heterogeneous porous media systems and resolved in a fraction of the time it takes to perform the equivalent pore-scale simulations.

58 GEOSCIENCES↗

DOE OSTI2017

Approximate static condensation algorithm for solving multi-material diffusion problems on meshes non-aligned with material interfaces

In this study, we describe a new algorithm for solving multi-material diffusion problem when material interfaces are not aligned with the mesh. In this case interface reconstruction methods are used to construct approximate representation of interfaces between materials. They produce so-called multi-material cells, in which materials are represented by material polygons that contain only one material. The reconstructed interface is not continuous between cells. Finally, we suggest the new method for solving multi-material diffusion problems on such meshes and compare its performance with known homogenization methods.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Analysis of the Reactive CO 2 Surface Flux in Electrocatalytic Aqueous Flow Reactors

We study how the mass transfer of a chemical species in shear flow is suppressed by the production of a second species that partially reacts away the first species. The second species is produced at the surface with the first species as a reactant. Our work is directly motivated by electrochemical CO 2 reduction in aqueous flow reactors, where OH– molecules generated by the CO evolution reaction react away CO 2 molecules, ultimately inhibiting the mass transfer of CO 2 to the cathode surface. We derive a simple approximation of the Sherwood number, a dimensionless measure of the mass flux into the surface, as a function of the Péclet number, surface Damköhler number, and bulk Damköhler number, and we compare our approximation to numerical solutions of the governing equations. We find that in the diffusion-limited regime, the Sherwood number is well described by the classical Graetz-Lévêque result reduced by a reaction factor due to the competing bulk reaction; with the stoichiometry relevant to electrochemical CO 2 reduction, this reaction factor is 1/2. While the model problem we solve provides insight into how OH– production affects CO 2 mass transfer, experimental systems often involve more complex chemistry. We thus also show how a common buffered electrolyte, KHCO 3 , affects our results.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Spin dynamics and exchange interaction in orthoferrite TbFeO 3 with non-Kramers rare-earth ion

The low-temperature spin dynamics of the orthorhombic TbFeO 3 perovskite has been studied. It has been found that the inelastic neutron scattering (INS) spectrum of the investigated compound contains two modes corresponding to different sublattices. It is shown that the iron subsystem orders antiferromagnetically at T N =632 K and exhibits the high-energy magnon dispersion. The magnetic dynamics of this subsystem has been described within the linear spin wave theory and the in-plane and out-of-plane exchange anisotropy has been demonstrated. The approach proposed previously to describe the magnon dispersion in the TmFeO 3 compound has been used. Three levels of the nondispersive crystal electric field corresponding to Tb 3+ ions have been found in the energy region below 40 meV at about 17, 26, and 35 meV. The behavior of the magnetic correlation length of the terbium subsystem has been determined by studying the diffuse scattering at different temperatures. The evolution of this subsystem has been numerically described within the point charge model. In conclusion, it is shown that the numerical data agree satisfactorily with the experiment and with the general concept of the single-ion approximation applied to the rare-earth subsystem of orthorhombic perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Spacecraft Observations of Oblique Electron Beams Breaking the Frozen-In Law During Asymmetric Reconnection

Fully kinetic simulations of asymmetric magnetic reconnection reveal the presence of magnetic-field-aligned beams of electrons flowing toward the topological magnetic x line. Within the ~ 6d e electron-diffusion region, the beams become oblique to the local magnetic field, providing a unique signature of the electron-diffusion region where the electron frozen-in law is broken. These numerical predictions are confirmed by in situ Magnetospheric Multiscale spacecraft observations during asymmetric reconnection at Earth’s dayside magnetopause.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Stochastic Modeling in a Multimaterial Continuum Mixture Shock Physics Code

Stochastic modelling approaches are presented to capture random effects at multiple time and length scales. Random processes that occur at the microscale produce nondeterministic effects at the macroscale. Here we present three stochastic modeling approaches that describe random processes at microscopic length scales and map these processes to the macroscopic length scale. The first stochastic modeling approach is based upon a particle based numerical technique to solve a Stochastic Differential Equation (SDE) using an arbitrary diffusion process to capture random processes at the microstructural level. The second approach prescribes a Probability Density Function (PDF) for the drift and diffusion of the random variable derived using the forward and backward Kolmogorov equations. This method requires mean and drift evolution PDF transport equations. The third approach is the coupling of multiple random variables which are dependent on each other. The relationship of the PDFs and a coupling function, known as a copula, produces a Joint Probability Density Function (JPDF). These stochastic modeling approaches are implemented into a Multiple Component (MC) shock physics computational code and used to model statistical fracture and reactive flow applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Close Companions around Young Stars

Multiplicity is a fundamental property that is set early during stellar lifetimes, and it is a stringent probe of the physics of star formation. The distribution of close companions around young stars is still poorly constrained by observations. We present an analysis of stellar multiplicity derived from Apache Point Observatory Galactic Evolution Experiment-2 spectra obtained in targeted observations of nearby star-forming regions. This is the largest homogeneously observed sample of high-resolution spectra of young stars. We developed an autonomous method to identify double-lined spectroscopic binaries (SB2s). Out of 5007 sources spanning the mass range of ∼0.05–1.5 M {sub ⊙}, we find 399 binaries, including both radial velocity (RV) variables and SB2s. The mass ratio distribution of SB2s is consistent with being uniform for q < 0.95 with an excess of twins for q > 0.95. The period distribution is consistent with what has been observed in close binaries (<10 au) in the evolved populations. Three systems are found to have q ∼ 0.1, with a companion located within the brown dwarf desert. There are no strong trends in the multiplicity fraction as a function of cluster age from 1 to 100 Myr. There is a weak dependence on stellar density, with companions being most numerous at Σ{sub *} ∼ 30 stars/pc{sup −2} and decreasing in more diffuse regions. Finally, disk-bearing sources are deficient in SB2s (but not RV variables) by a factor of ∼2; this deficit is recovered by the systems without disks. This may indicate a quick dispersal of disk material in short-period equal-mass systems that is less effective in binaries with lower q.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

A generalized theory for the design of contraction cones and other low speed ducts

A generalization of the Tsien method of contraction cone design is described. The design velocity distribution is expressed in such a form that the required high order derivatives can be obtained by recursion rather than by numerical or analytic differentiation. The method is applicable to the design of diffusers and converging-diverging ducts as well as contraction cones. The computer program is described and a FORTRAN listing of the program is provided.

Barger, R. L.↗

NASA NTRS1975

Numerical solution of the Navier-Stokes equations with topography

A finite difference scheme for solving the equations of fluid motion in a generalized coordinate system has been constructed. The scheme conserves mass and all the first integral moments of the motion. The scheme also advectively 'almost conserves' second moments, in that the magnitude of implicit numerical smoothing is typically about an order smaller than explicit viscosity and diffusion. Calculations with the model support the theoretical conjecture that the difference scheme is stable whenever the analogous Cartesian scheme is stable. The scheme has been used to calculate dry atmospheric convection due to differential heating between top and bottom of mountainous terrain. The general small-scale characteristics of mountain up-slope winds have been simulated. In addition, the results have demonstrated the crucial role played by the eddy diffusivities and the environmental stability, in determining both the quantitative and the qualitative features of the circulation.

Gal-Chen, T.↗

NASA NTRS1982

Dissipation of ionospheric irregularities by wave-particle and collisional interactions

The nonlinear dissipation of plasma irregularities aligned parallel to an ambient magnetic field is studied numerically using a model which employs both wave-particle and collisional diffusion. A wave-particle diffusion coefficient derived from a local theory of the universal drift instability is used. This coefficient is effective in regions of nonzero plasma gradients and produces triangular-shaped irregularities with spectra which vary as f to the -4th, where f is the spatial frequency. Collisional diffusion acts rapidly on the vertices of the irregularities to reduce their amplitude. The simultaneous action of the two dissipative processes is more efficient than collisions acting alone. In this model, wave-particle diffusion mimics the forward cascade process of wave-wave coupling.

Bernhardt, P. A.↗

NASA NTRS1982

Magnetograph response to canopy-type fields

The response of longitudinal-field magnetographs to magnetic fields which are semi-infinite or confined to a horizontal layer is discussed with respect to the interpretation of solar diffuse fields, observed towards the limb, in terms of magnetic canopy models. Numerical results are presented for several reference solar models and typical 'calibration' curves are shown for the CI 9111 A, Fe I 8688 A, and Ca II 8542 A lines in magnetostatic atmospheres derived from a mean model. A procedure is developed for determining the base heights of magnetic canopies from observations with an uncertainty not exceeding the order of a pressure scale height. Until definitive information regarding atmospheric structure inside flux tubes can be developed from theory or observation, reliable field strengths cannot be derived from the data.

Jones, H. P.↗

NASA NTRS1986

Applications of a new wall function to turbulent flow computations

A new wall function approach is developed based on a wall law suitable for incompressible turbulent boundary layers under strong adverse pressure gradients. This wall law was derived from a one-dimensional analysis of the turbulent kinetic energy equation with gradient diffusion concept employed in modeling the near-wall shear stress gradient. Numerical testing cases for the present wall functions include turbulent separating flows around an airfoil and turbulent recirculating flows in several confined regions. Improvements on the predictions using the present wall functions are illustrated. For cases of internal recirculating flows, one modification factor for improving the performance of the k-epsilon turbulence model in the flow recirculation regions is also included.

Chen, Y. S.↗

NASA NTRS1988

Effect of heat release on the spatial stability of a supersonic reacting mixing layer

A numerical study of the stability of compressible mixing layers in which a diffusion flame is embedded is described. The mean velocity profile has been approximated by a hyperbolic tangent profile and the limit of infinite activation energy taken, which reduces the diffusion flame to a flame sheet. The addition of combustion in the form of a flame sheet was found to have important, and complex, effects on the flow stability.

Jackson, T. L.↗

NASA NTRS1989

Ballistic transport in planetary ring systems due to particle erosion mechanisms. I - Theory, numerical methods, and illustrative examples

Ballistic transport, defined as the net radial transport of mass and angular momentum due to exchanges of meteoroid hypersonic-impact ejecta by neighboring planetary ring regions on time-scales orders-of-magnitude shorter than the age of the solar system, is presently considered as a problem in mathematical physics. The preliminary results of a numerical scheme for following the combined effects of ballistic transport and viscous diffusion demonstrate that ballistic transport generates structure near sharp edges already present in the ring-mass distribution; the entire ring system ultimately develops an undulatory structure whose length scale is typically of the order of the radial excursion of the impact ejecta.

Durisen, Richard H.↗