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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Formation of magnetized prestellar cores with ambipolar diffusion and turbulence

We investigate the roles of magnetic fields and ambipolar diffusion during prestellar core formation in turbulent giant molecular clouds, using three-dimensional numerical simulations. Our simulations focus on the shocked layer produced by a converging large-scale flow and survey varying ionization and the angle between the upstream flow and magnetic field. We also include ideal magnetohydrodynamic (MHD) and hydrodynamic models. From our simulations, we identify hundreds of self-gravitating cores that form within 1 Myr, with masses M ∼ 0.04-2.5 M {sub ☉} and sizes L ∼ 0.015-0.07 pc, consistent with observations of the peak of the core mass function. Median values are M = 0.47 M {sub ☉} and L = 0.03 pc. Core masses and sizes do not depend on either the ionization or upstream magnetic field direction. In contrast, the mass-to-flux ratio does increase with lower ionization, from twice to four times the critical value. The higher mass-to-flux ratio for low ionization is the result of enhanced transient ambipolar diffusion when the shocked layer first forms. However, ambipolar diffusion is not necessary to form low-mass supercritical cores. For ideal MHD, we find similar masses to other cases. These masses are one to two orders of magnitude lower than the value M {sub mag,} {sub sph} = 0.007B {sup 3}/(G {sup 3/2}ρ{sup 2}) that defines a magnetically supercritical sphere under post-shock ambient conditions. This discrepancy is the result of anisotropic contraction along field lines, which is clearly evident in both ideal MHD and diffusive simulations. We interpret our numerical findings using a simple scaling argument that suggests that gravitationally critical core masses will depend on the sound speed and mean turbulent pressure in a cloud, regardless of magnetic effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Modeling convective core overshoot and diffusion in Procyon constrained by asteroseismic data

We compare evolved stellar models, which match Procyon's mass and position in the HR diagram, to current ground-based asteroseismic observations. Diffusion of helium and metals along with two conventional core overshoot descriptions and the Kuhfuss nonlocal theory of convection are considered. We establish that one of the two published asteroseismic data reductions for Procyon, which mainly differ in their identification of even versus odd l values, is a significantly more probable and self-consistent match to our models than the other. The most probable models according to our Bayesian analysis have evolved to just short of turnoff, still retaining a hydrogen convective core. Our most probable models include Y and Z diffusion and have conventional core overshoot between 0.9 and 1.5 pressure scale heights, which increases the outer radius of the convective core by between 36% and 43%, respectively. We discuss the significance of this comparatively higher than expected core overshoot amount in terms of internal mixing during evolution. The parameters of our most probable models are similar regardless of whether adiabatic or nonadiabatic model p-mode frequencies are compared to the observations, although, the Bayesian probabilities are greater when the nonadiabatic model frequencies are used. All the most probable models (with or without core overshoot, adiabatic or nonadiabatic model frequencies, diffusion or no diffusion, including priors for the observed HRD location and mass or not) have masses that are within 1σ of the observed mass 1.497 ± 0.037 M {sub ☉}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Particle energization during solar maximum: Diffusive shock acceleration at multiple shocks

We present a model for the acceleration of particles at multiple shocks using an approach related to box models. A distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles out of the box by either the method used in Melrose and Pope and Pope and Melrose or by the approach introduced in Zank et al. where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (E{sub max}) appropriate for quasi-parallel and quasi-perpendicular shocks. We provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Diffusion and stochastic island generation in the magnetic field line random walk

The cross-field diffusion of field lines in stochastic magnetic fields described by the 2D+slab model is studied using a semi-analytic statistical approach, the decorrelation trajectory method. We show that field line trapping and the associated stochastic magnetic islands strongly influence the diffusion coefficients, leading to dependences on the parameters that are different from the quasilinear and Bohm regimes. A strong amplification of the diffusion is produced by a small slab field in the presence of trapping. The diffusion regimes are determined and the corresponding physical processes are identified.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Perpendicular diffusion of energetic particles in noisy reduced magnetohydrodynamic turbulence

A model for noisy reduced magnetohydrodynamic turbulence was recently proposed. This model was already used to study the random walk of magnetic field lines. In the current article we use the same model to investigate the diffusion of energetic particles across the mean magnetic field. To compute the perpendicular diffusion coefficient, two analytical theories are used, namely, the Non-Linear Guiding Center theory and the Unified Non-Linear Transport (UNLT) theory. It is shown that the two theories provide different results for the perpendicular diffusion coefficient. We also perform test-particle simulations for the aforementioned turbulence model. We show that only the UNLT theory describes perpendicular transport accurately, confirming that this is a powerful tool in diffusion theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A BABCOCK–LEIGHTON SOLAR DYNAMO MODEL WITH MULTI-CELLULAR MERIDIONAL CIRCULATION IN ADVECTION- AND DIFFUSION-DOMINATED REGIMES

Babcock–Leighton type-solar dynamo models with single-celled meridional circulation are successful in reproducing many solar cycle features. Recent observations and theoretical models of meridional circulation do not indicate a single-celled flow pattern. We examine the role of complex multi-cellular circulation patterns in a Babcock–Leighton solar dynamo in advection- and diffusion-dominated regimes. We show from simulations that the presence of a weak, second, high-latitude reverse cell speeds up the cycle and slightly enhances the poleward branch in the butterfly diagram, whereas the presence of a second cell in depth reverses the tilt of the butterfly wing to an antisolar type. A butterfly diagram constructed from the middle of convection zone yields a solar-like pattern, but this may be difficult to realize in the Sun because of magnetic buoyancy effects. Each of the above cases behaves similarly in higher and lower magnetic diffusivity regimes. However, our dynamo with a meridional circulation containing four cells in latitude behaves distinctly differently in the two regimes, producing solar-like butterfly diagrams with fast cycles in the higher diffusivity regime, and complex branches in butterfly diagrams in the lower diffusivity regime. We also find that dynamo solutions for a four-celled pattern, two in radius and two in latitude, prefer to quickly relax to quadrupolar parity if the bottom flow speed is strong enough, of similar order of magnitude as the surface flow speed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Diffusive cosmic-ray acceleration at relativistic shock waves with magnetostatic turbulence

The analytical theory of diffusive cosmic-ray acceleration at parallel stationary shock waves with magnetostatic turbulence is generalized to arbitrary shock speeds V{sub s}=β{sub 1}c, including, in particular, relativistic speeds. This is achieved by applying the diffusion approximation to the relevant Fokker–Planck particle transport equation formulated in the mixed comoving coordinate system. In this coordinate system, the particle's momentum coordinates p and μ=p{sub ∥}/p are taken in the rest frame of the streaming plasma, whereas the time and space coordinates are taken in the observer's system. For magnetostatic slab turbulence, the diffusion–convection transport equation for the isotropic (in the rest frame of the streaming plasma) part of the particle's phase space density is derived. For a step-wise shock velocity profile, the steady-state diffusion–convection transport equation is solved. For a symmetric pitch-angle scattering Fokker–Planck coefficient, D{sub μμ}(−μ)=D{sub μμ}(μ), the steady-state solution is independent of the microphysical scattering details. For nonrelativistic mono-momentum particle injection at the shock, the differential number density of accelerated particles is a Lorentzian-type distribution function, which at large momenta approaches a power-law distribution function N(p⩾p{sub c})∝p{sup −ξ} with the spectral index ξ(β{sub 1})=1+[3/(Γ{sub 1}√(r{sup 2}−β{sub 1}{sup 2})−1)(1+3β{sub 1}{sup 2})]. For nonrelativistic (β{sub 1}≪1) shock speeds, this spectral index agrees with the known result ξ(β{sub 1}≪1)≃(r+2)/(r−1), whereas for ultrarelativistic (Γ{sub 1}≫1) shock speeds the spectral index value is close to unity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

INCORPORATING AMBIPOLAR AND OHMIC DIFFUSION IN THE AMR MHD CODE RAMSES

We have implemented non-ideal magnetohydrodynamics (MHD) effects in the adaptive mesh refinement code RAMSES, namely, ambipolar diffusion and Ohmic dissipation, as additional source terms in the ideal MHD equations. We describe in details how we have discretized these terms using the adaptive Cartesian mesh, and how the time step is diminished with respect to the ideal case, in order to perform a stable time integration. We have performed a large suite of test runs, featuring the Barenblatt diffusion test, the Ohmic diffusion test, the C-shock test, and the Alfven wave test. For the latter, we have performed a careful truncation error analysis to estimate the magnitude of the numerical diffusion induced by our Godunov scheme, allowing us to estimate the spatial resolution that is required to address non-ideal MHD effects reliably. We show that our scheme is second-order accurate, and is therefore ideally suited to study non-ideal MHD effects in the context of star formation and molecular cloud dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Cooperative diffusion in body-centered cubic iron in Earth and super-Earths’ inner core conditions

Abstract The physical chemistry of iron at the inner-core conditions is key to understanding the evolution and habitability of Earth and super-Earth planets. Based on full first-principles simulations, we report cooperative diffusion along the longitudinally fast ⟨ 111 ⟩ directions of body-centered cubic (bcc) iron in temperature ranges of up to 2000–4000 K below melting and pressures of ∼300–4000 GPa. The diffusion is due to the low energy barrier in the corresponding direction and is accompanied by mechanical and dynamical stability, as well as strong elastic anisotropy of bcc iron. These findings provide a possible explanation for seismological signatures of the Earth’s inner core, particularly the positive correlation between P wave velocity and attenuation. The diffusion can also change the detailed mechanism of core convection by increasing the diffusivity and electrical conductivity and lowering the viscosity. The results need to be considered in future geophysical and planetary models and should motivate future studies of materials under extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Bragg coherent diffraction imaging of iron diffusion into gold nanocrystals

Understanding how diffusion takes place within nanocrystals is of great importance for their stability and for controlling their synthesis. In this study, we used the strain sensitivity of Bragg coherent diffraction imaging (BCDI) to study the diffusion of iron into individual gold nanocrystals in situ at elevated temperatures. The BCDI experiments were performed at the I-07 beamline at Diamond Light Source, UK. The diffraction pattern of individual gold nanocrystals was measured around the (11-1) Bragg peak of gold before and after iron deposition as a function of temperature and time. Phase retrieval algorithms were used to obtain real space reconstructions of the nanocrystals from their measured diffraction patterns. Alloying of iron with gold at sample temperatures of 300 °C–500 °C and dealloying of iron from gold at 600 °C were observed. The volume of the alloyed region in the nanocrystals was found to increase with the dose of iron. However, no significant time dependence was observed for the structure following each iron deposition, suggesting that the samples reached equilibrium relatively quickly. The resulting phase distribution within the gold nanocrystals after the iron depositions suggests a contraction due to diffusion of iron. Furthermore, our results show that BCDI is a useful technique for studying diffusion in three dimensions and alloying behaviour in individual crystalline grains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Diffusion energy barrier of Au on Bi 2 Se 3 : theory and experiment

The stability and diffusion of ultra-thin thermally deposited Au films on Bi 2 Se 3 was studied using scanning tunneling microscopy and density functional theory calculations. The Au/Bi 2 Se 3 interface is of interest as gold is predicted to provide excellent electrical contact while maintaining the spin-polarized characteristics of the electronic states in Bi 2 Se 3 that make the material attractive for spintronic applications. When deposited at room temperature, Au 10 covers the surface with tightly packed islands of nanometer scale dimension. The surface morphology is stable up to 400K. At this annealing temperature, Au atoms have sufficient energy to diffuse across the surface and aggregate into larger nanostructures. At 550K, the Bi 2 Se 3 surface is only sparsely covered, and the Au has formed clusters with length scales 5-10 times larger than the original islands formed at room temperature. Comparison of the experiment and first principle calculation lead to the conclusion that the diffusion energy barrier for Au on Bi 2 Se 3 is as high as 0.47 eV, 15 which is much larger than diffusion barriers on other van der Waals materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Diffusive propagation of cosmic rays from supernova remnants in the Galaxy. II: anisotropy

In this paper we investigate the effects of stochasticity in the spatial and temporal distribution of supernova remnants on the anisotropy of cosmic rays observed at Earth. The calculations are carried out for different choices of the diffusion coefficient D(E) experienced by cosmic rays during propagation in the Galaxy. The propagation and spallation of nuclei (with charge 1 ≤ Z ≤ 26) are taken into account. At high energies (E > 1 TeV) we assume that D(E)∝(E/Z){sup δ}, with δ = 1/3 and δ = 0.6 being the reference scenarios. The large scale distribution of supernova remnants in the Galaxy is modeled following the distribution of pulsars with and without accounting for the spiral structure of the Galaxy. Our calculations allow us to determine the contribution to anisotropy resulting from both the large scale distribution of SNRs in the Galaxy and the random distribution of the nearest remnants. The naive expectation that the anisotropy amplitude scales as δ{sub A}∝D(E) is shown to be a wild oversimplification of reality which does not reflect in the predicted anisotropy for any realistic distribution of the sources. The fluctuations in the anisotropy pattern are dominated by nearby sources, so that predicting or explaining the observed anisotropy amplitude and phase becomes close to impossible. Nevertheless, the results of our calculations, when compared to the data, allow us to draw interesting conclusions in terms of the propagation scenario to be preferred both in terms of the energy dependence of the diffusion coefficient and of the size of the halo. We find that the very weak energy dependence of the anisotropy amplitude below 10{sup 5} GeV, as observed by numerous experiments, as well as the rise at higher energies, can best be explained if the diffusion coefficient is D(E)∝E{sup 1/3}. Faster diffusion, for instance with δ = 0.6, leads in general to an exceedingly large anisotropy amplitude. The spiral structure introduces interesting trends in the energy dependence of the anisotropy pattern, which qualitatively reflect the trend seen in the data. The inhomogeneous spatial distribution of the sources in the Galactic disc induces a large scale anisotropy which is not sensitive to the stochastic nature of nearby SNRs: we find that this additional contribution to δ{sub A} becomes more important for large values of the size of the halo, H. The two terms are comparable in size for H ∼ 2 kpc which corresponds to the scale height of the gradient of the spatial distribution of SNRs in the Galaxy. The dependence on energy of δ{sub A}(E) is close to monotonic when the large-scale, regular term dominates, and does not seem to reflect the observed anisotropy amplitude. Both contributions to the total anisotropy are illustrated and discussed with the help of semi-analytical results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Evolution of a simple inhomogeneous anisotropic cosmological model with diffusion

We investigate a simple inhomogeneous anisotropic cosmology (plane symmetric G{sub 2} model) filled with a tilted perfect fluid undergoing velocity diffusion on a scalar field. Considered are two types of fluid: dust and radiation. We solve the system of Einstein field equations and diffusion equations numerically and demonstrate how the universe evolves towards its future asymptotic state. Also, typical time scales of characteristic processes are determined. The obtained results for dust- and radiation-filled cosmologies are compared to each other and to those in the diffusionless case, giving a hint on which effects can be the result of including diffusion in more complicated models. For example, diffusion causes the accelerated expansion stage to arrive at later times.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ESTIMATION OF TURBULENT DIFFUSIVITY WITH DIRECT NUMERICAL SIMULATION OF STELLAR CONVECTION

We investigate the value of horizontal turbulent diffusivity {eta} by numerical calculation of thermal convection. In this study, we introduce a new method whereby the turbulent diffusivity is estimated by monitoring the time development of the passive scalar, which is initially distributed in a given Gaussian function with a spatial scale d{sub 0}. Our conclusions are as follows: (1) assuming the relation {eta} = L{sub c} v{sub rms}/3, where v{sub rms} is the root-mean-square (rms) velocity, the characteristic length L{sub c} is restricted by the shortest one among the pressure (density) scale height and the region depth. (2) The value of turbulent diffusivity becomes greater with the larger initial distribution scale d{sub 0}. (3) The approximation of turbulent diffusion holds better when the ratio of the initial distribution scale d{sub 0} to the characteristic length L{sub c} is larger.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Prediction of L⁢i 3 ⁢F⁡e 8 ⁢B 8 compound with rapid one-dimensional ion diffusion channels

Using a computational crystal structure search in the Li-Fe-B ternary system, we predict a stable phase of L⁢i 3 ⁢F⁡e 8 ⁢B 8 , featuring 1D channels that enable rapid Li-ion transport. Ab initio molecular dynamics simulations show that the Li-ion diffusion coefficient in L⁢i 3 ⁢F⁡e 8⁢ B 8 surpasses that of common electrode and conductive additive materials by several orders of magnitude. The high diffusion in L⁢i 3 ⁢F⁡e 8 ⁢B 8 can be explained by the Frenkel–Kontorova model, which describes an incommensurate state between the Li diffusion chain and the periodic potential field caused by the FeB backbone structure. The favorable lithium-ion diffusivity and mechanical properties of L⁢i 3 ⁢F⁡e 8 ⁢B 8 make it a promising conductive additive for battery materials. Furthermore, an external magnetic field can further manipulate the properties of this material due to its predicted itinerant ferromagnetism, which also offers a platform for exploring spin-dependent phenomena.

1-dimensional systems↗
DOE OSTI2025

External Magnetic Field Suppression of Carbon Diffusion in Iron

External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at high temperatures and with field. Our model reproduces the measured suppression of diffusivity from field. Here, we find that increasing magnetic disorder flattens the electron density of states compared with the ferromagnetic case, which distorts the octahedral cages around carbon, lowering the activation barrier to diffusion; an applied field reverses these trends.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Reaction-diffusive dynamics of number-conserving dissipative quantum state preparation

The use of dissipation for the controlled creation of nontrivial quantum many-body correlated states is of much fundamental and practical interest. What is the result of imposing number conservation, which, in closed system, gives rise to diffusive spreading? For this work, we investigate this question for a paradigmatic model of a two-band system, with dissipative dynamics aiming to empty one band and to populate the other, which had been introduced before for the dissipative stabilization of topological states. Going beyond the mean-field treatment of the dissipative dynamics, we demonstrate the emergence of a diffusive regime for the particle and hole density modes at intermediate length- and timescales, which, interestingly, can only be excited in nonlinear response to external fields. We also identify processes that limit the diffusive behavior of this mode at the longest length- and timescales. Strikingly, we find that these processes lead to a reaction-diffusion dynamics governed by the Fisher-Kolmogorov-Petrovsky-Piskunov equation, making the designed dark state unstable towards a state with a finite particle and hole density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗