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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Simulating dust grain-radiation coupling on a moving mesh

ABSTRACT We present a model for the interaction between dust and radiation fields in the radiation hydrodynamic code arepo-rt, which solves the moment-based radiative transfer equations on an unstructured moving mesh. Dust is directly treated using live simulation particles, each of which represent a population of grains that are coupled to hydrodynamic motion through a drag force. We introduce methods to calculate radiation pressure on and photon absorption by dust grains. By including a direct treatment of dust, we are able to calculate dust opacities and update radiation fields self-consistently based on the local dust distribution. This hybrid scheme coupling dust particles to an unstructured mesh for radiation is validated using several test problems with known analytic solutions, including dust driven via spherically symmetric flux from a constant luminosity source and photon absorption from radiation incident on a thin layer of dust. Our methods are compatible with the multifrequency scheme in arepo-rt, which treats UV, optical photons as single scattered and IR photons as multi scattered. At IR wavelengths, we model heating of and thermal emission from dust. Dust and gas are not assumed to be in local thermodynamic equilibrium but transfer energy through collisional exchange. We estimate dust temperatures by balancing these dust-radiation and dust-gas energy exchange rates. This framework for coupling dust and radiation can be applied in future radiation hydrodynamic simulations of galaxy formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Clump survival and migration in VDI galaxies: an analytical model versus simulations and observations

ABSTRACT We address the nature of the giant clumps in high-z galaxies that undergo violent disc instability, distinguishing between long-lived and short-lived clumps. We study the evolution of long-lived clumps during migration through the disc via an analytical model tested by simulations and confront theory with CANDELS-HST observations. The clump ‘bathtub’ model, which considers gas and stellar gain and loss, involves four parameters: the accretion efficiency α, the star formation rate (SFR) efficiency ϵd, and the outflow mass-loading factors for gas and stars, η and ηs. The corresponding time-scales are comparable to the migration time, two-three orbital times. The accretion-rate dependence on clump mass, gas, and stars, allows an analytical solution involving exponential growing and decaying modes. For the fiducial parameter values there is a main evolution phase where the SFR and gas mass are constant and the stellar mass is rising linearly with time. This makes the inverse specific SFR an observable proxy for clump age. When η or ϵd are high, or α is low, the decaying mode induces a decline of SFR and gas mass till the migration ends. Later, the masses and SFR approach an hypothetical exponential growth with a constant specific SFR. The model matches simulations with different, moderate feedbacks, both in isolated and cosmological settings. The observed clumps agree with our predictions, indicating that the massive clumps are long-lived and migrating. A challenge is to model feedback that is non-disruptive in massive clumps but suppresses SFR to match the galactic stellar-to-halo mass ratio.

Dekel, Avishai↗
DOE OSTI2024

Cosmic quenching and scaling laws for the evolution of supermassive black holes and host galaxies

ABSTRACT Observations suggest a co-evolution of supermassive black holes (SMBHs) and host galaxies. In this paper, we consider the mass and energy flow in a near-equilibrium bulge suffused by gases of varying temperatures. By assuming the rate of energy flow independent of the distance r from the bulge center and the local virial equilibrium for permeated gases on scale r, a key parameter $\varepsilon _b$ was identified that quantifies the mass and energy flow in gases and the efficiency of gas cooling (or the "specific" cooling rate per unit mass), and thus regulates the co-evolution of both SMBHs and hosts. With the help of Illustris simulations and observations, we determined the redshift variation $\varepsilon _b\propto (1+z)^{5/2}$. A higher $\varepsilon _b$ in the early Universe means a higher specific cooling rate that allows rapid evolution of SMBHs and hosts. This simple theory, characterized by a single parameter $\varepsilon _b$, provides the dominant mean cosmic evolution of SMBHs and hosts. All other transient phenomena may only contribute to the dispersion around this mean evolution. Based on this theory and relevant assumptions, scaling laws involving $\varepsilon _b$ were identified for the evolution of SMBHs and hosts. For host galaxies, the mass–size relation $M_b\propto \varepsilon _b^{2/3}r_b^{5/3}G^{-1}$, the dispersion–size relation $\sigma _b^2\propto (\varepsilon _b r_b)^{2/3}\propto (1+z)$, or the mass–dispersion relation $M_b\propto \varepsilon _b^{-1}G^{-1}\sigma _b^5$ were identified, where $r_b\propto (1+z)^{-1}$ is the bulge size. For SMBHs, three evolution phases were found involving an initial rapid growth stage with a rising luminosity $L_B\propto (\varepsilon _b M_{\rm BH})^{4/5}$, a transition stage with a declining $L_B\propto \varepsilon _b^2 M_{\rm BH} \propto (1+z)^5$, and a dormant stage with $L_B\propto (\varepsilon _b M_{\rm BH})^{4/3}$. Our results suggest a rapid initial super-Eddington growth in a short period with a new redshift-dependent luminosity limit $L_X\propto\varepsilon _b^{4/5}M_{\rm BH}^{4/5}G^{-1/5}c$, in contrast to the Eddington limit. Analytical solutions were formulated for the BH mass function $\Phi _{\rm BH}$, active galactic nucleus (AGN) mass function $\Phi _{\rm AGN}$, and duty cycle U that predict $\Phi _L\propto L^{-1/5}$ for the faint-end luminosity function, $\Phi _{\rm AGN}\propto M^{-1/5}$ for small-mass-end AGN mass function $\Phi _L$, and $U\propto M^{-1/5}$ at high redshift.

(galaxies:) quasars: supermassive black holes↗
DOE OSTI2021

The reflection of a blast wave by a very intense explosion

We demonstrate that the geometric similarity of Taylor’s blast wave persists beyond reflection from an ideal surface. Upon impacting the surface, the spherical symmetry of the blast wave is lost but its cylindrical symmetry endures. As the flow acquires dependence on a second spatial dimension, an analytic solution of the Euler equations becomes elusive. However, the preservation of axisymmetry, geometric similarity and planar symmetry in the presence of a mirror-like surface causes all flow solutions to collapse when scaled by the height of burst (HOB) and the shock arrival time at the surface. The scaled blast volume for any yield, HOB and ambient air density follows a single universal trajectory for all scaled time, both before and after reflection.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Nonadiabatic dissociation of molecular Bose-Einstein condensates: Competition between chemical reactions

Here, we provide a framework to solve generic models describing the dissociation of multiple molecular Bose Einstein condensates in a nonadiabatic regime. The competition between individual chemical reactions can lead to non-trivial dependence on critical components such as path interference and symmetries, thus, affecting the final distribution of atomic population. We find an analytical solution for an illustrative example model involving four atomic modes. When the system parameters satisfy CPT symmetry, where C is charge conjugation, P is parity, and T is time-reversal symmetry, our solution predicts a population imbalance between atomic modes that is exponentially sensitive to system parameters. However, a weakly broken symmetry alters the population in each atomic mode and can reverse the population imbalance. Our solution also demonstrates a strong quantum correlation between atomic modes that leads to the spontaneous production of atoms in a multi-mode squeezed state. Moreover, in our framework, a time-dependent non-Hermitian quantum mechanics naturally manifests which can alternatively be realized experimentally in photonic systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Asymmetric crossing of the attractive and repulsive magnetic potential by Abrikosov vortices

Here, we present studies of Abrikosov vortex motion across the magnetically charged edges of long thin ferromagnetic stripes placed above or under a thin superconducting film. The magnetic charges at the stripe edges form attractive or repulsive potential wells for vortices. Using a relatively small in-plane magnetic field to polarize the stripe edges and normal-to-plane magnetic field to induce up or down polarized vortices, we tune the attractive or repulsive stripe-vortex interactions. Imaging of the vortex dynamics reveals that the repulsive magnetic potential U m + acts as a robust vortex pinning barrier, while the attractive U m - has practically no effect on the vortex motion irrespective of the position of the stripes located above or underneath the superconducting film. We analyze the observed asymmetry using equations of the overdamped vortex motion. The formal analytical solution yields an asymmetry, but the numerical modeling with and without noise terms does not confirm it. Instead, we find that the asymmetry is caused by the creation of spontaneous vortices at the maxima of U m , which depends on the edge polarity and suppress U m - . Furthermore, our experiment and time-dependent Ginzburg-Landau simulations demonstrate that magnetic pinning dominates over vortex pinning due to corrugations of the superconducting layer deposited on top of the ferromagnetic stripes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topologically derived dislocation theory for twist and stretch moiré superlattices in bilayer graphene

In this work, we develop a continuum dislocation description of twist and stretch moiré superlattices in two-dimensional material bilayers. The continuum formulation is based on the topological constraints introduced by the periodic dislocation network associated with the moiré structure. The approach is based on solving analytically for the structural distortion and displacement fields that satisfy the topological constraints and that minimize the total energy. The total energy is described by both the strain energy of each individual distorted layer and a Peierls-Nabarro-like interfacial contribution arising from stacking disregistry. The dislocation core emerges naturally within the formalism as a result of the competition between the two contributions. The approach presented here captures the structure and energetics of twist and stretch moiré superlattices of dislocations with arbitrary direction and character, without assuming an analytical solution a priori and while accounting naturally for dislocation-dislocation image interactions. In comparisons to atomistic simulations using classical potentials, the maximum structure deviation is 6%, while the maximum line energy deviation is 0.019 eV/Å. Several applications of our model are shown, including predicting the variation of structure with twist angle and describing dislocation line tension and junction energies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of exchange distortion and spin rotation in the magnetic Kagome Lattice

In this study, we examine the effect of distorted triangular magnetic interactions in the kagome lattice. Using a Holstein-Primakoff expansion, we determine the analytical solutions for classical energies and the spin-wave modes for various magnetic configurations. By understanding the magnetic phase diagram, we characterize the changes in the spin waves and examine the spin distortions of the ferromagnetic, antiferrimagnetic, and 120° phases that are produced by variable exchange interactions and lead to various noncollinear phases, which provides a deeper understanding of the magnetic fingerprints of these configurations for experimental characterization and identification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin-lattice model for cubic crystals

In this work, we present a methodology based on the Néel model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and anisotropic magnetostriction, as well as exchange magnetostriction. Taking advantage of the analytical solutions of the Néel model, we derive theoretical expressions for the parametrization of the exchange integrals and Néel dipole and quadrupole terms that link them to the magnetic properties of the material. This approach allows us to build accurate spin-lattice models with the desired magnetoelastic properties. We also explore a possible way to model the volume dependence of magnetic moment based on the Landau energy. This feature allows us to consider the effects of hydrostatic pressure on the saturation magnetization. We apply this method to develop a spin-lattice model for BCC Fe and FCC Ni, and we show that it accurately reproduces the experimental elastic tensor, magnetocrystalline anisotropy under pressure, anisotropic magnetostrictive coefficients, volume magnetostriction, and saturation magnetization under pressure at zero temperature. This work could constitute a step towards large-scale modeling of magnetoelastic phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Exact quantum scars in the chiral nonlinear Luttinger liquid

While the chiral linear Luttinger liquid is integrable via bosonization, its nonlinear counterpart does not admit for an analytic solution. In this work, we find a subextensive number of exact eigenstates for a large family of density-density interaction terms. These states are embedded in a continuum of strongly correlated excited states. The real-space entanglement entropy of some exact states scales logarithmically with system size while that of others has volume-law scaling. We introduce momentum-space entanglement as an unambiguous differentiator between these exact states and the remaining excited states. With regard to momentum space, the exact states behave as bona fide quantum many-body scars: they exhibit identically zero momentum-space entanglement, while typical eigenstates behave thermally. We corroborate this finding by a level statistics analysis. Here we detail the general formalism for systematically finding all interaction terms and associated exact states, and present a number of infinite exact state sequences extending to arbitrarily high energies. Unlike many previous examples of quantum many-body scars, the exact states uncovered here do not lie at equidistant energies and do not follow from a special operator algebra. Instead, they are uniquely enabled by the interplay of Fermi statistics and chirality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Correlation energy of the uniform electron gas determined by ground-state conditional probability density functional theory

Conditional-probability density functional theory (CP-DFT) is a formally exact method for finding correlation energies from Kohn-Sham DFT without evaluating an explicit energy functional. We present details on how to generate accurate exchange-correlation energies for the ground-state uniform gas. We also use the exchange hole in a CP antiparallel spin calculation to extract the high-density limit. We give a highly accurate analytic solution to the Thomas-Fermi model for this problem, showing its performance relative to Kohn-Sham and may be useful at high temperatures. We explore several approximations to the CP potential. Furthermore, results are compared to accurate parameterizations for both exchange-correlation energies and holes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Universal and nonuniversal features of Bardeen-Cooper-Schrieffer theory with finite-range interactions

Here, we study analytic solutions to the Bardeen-Cooper-Schrieffer (BCS) gap equation for isotropic superconductors with finite-range interaction potentials over the full range of temperatures from absolute zero to the superconducting critical temperature 0 ≤ T ≤ T c . Using these solutions Δ (ε,T), we provide a proof of the universality of the temperature dependence of the BCS gap ratio at the Fermi level Δ (ε = 0,T)/T c . Moreover, by examining the behavior of this ratio as a function of energy ε, we find that nonuniversal features emerge away from the Fermi level, and these features take the form of a temperature-independent multiplicative factor F(ε), which is equal to Δ (ε,T)/Δ(ε = 0,T) up to exponentially small corrections, i.e., the error terms vanish like e -1/λ in the weak-coupling limit λ → 0. We discuss the model-dependent features of both F(ε) and T c , and we illustrate their behavior focusing on several concrete examples of physically relevant finite-range potentials. Comparing these cases for fixed coupling constants, we highlight the importance of the functional form of the interaction potential in determining the size of the critical temperature and provide guidelines for choosing potentials which lead to higher values of T c . We also propose experimental signatures which could be used to probe the energy dependence of the gap and potentially shed light on the underlying mechanisms giving rise to superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

How do spherical black holes grow monopole hair?

Black holes in certain modified gravity theories that contain a scalar field coupled to curvature invariants are known to possess (monopole) scalar hair while non-black-hole spacetimes (like neutron stars) do not. Therefore, as a neutron star collapses to a black hole, scalar hair must grow until it settles to the stationary black hole solution with (monopole) hair. In this paper, we study this process in detail and show that the growth of scalar hair is tied to the appearance and growth of the event horizon (before an apparent horizon forms), which forces scalar modes that would otherwise (in the future) become divergent to be radiated away. We prove this result rigorously in general first for a large class of modified theories, and then we exemplify the results by studying the temporal evolution of the scalar field in scalar Gauss-Bonnet gravity in two backgrounds: (i) a collapsing Oppenheimer-Snyder background, and (ii) a collapsing neutron star background. In case (i), we find an exact scalar field solution analytically, while in case (ii) we solve for the temporal evolution of the scalar field numerically, with both cases supporting the conclusion presented above. Thus, our results suggest that the emission of a burst of scalar field radiation is a necessary condition for black hole formation in a large class of modified theories of gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Advection algorithms for quantum neutrino moment transport

Neutrino transport in compact objects is an inherently challenging multidimensional problem. Here, this difficulty is compounded if one includes flavor transformation—an intrinsically quantum phenomenon requiring one to follow the coherence between flavors and thus necessitating the introduction of complex numbers. To reduce the computational burden, simulations of compact objects that include neutrino transport often make use of momentum-angle-integrated moments (the lowest order ones being commonly referred to as the energy density and flux) and these quantities can be generalized to include neutrino flavor, i.e., they become quantum moments. Numerous finite-volume approaches to solving the moment evolution equations for classical neutrino transport have been developed based on solving a Riemann problem at cell interfaces. In this paper we describe our generalization of a Riemann solver for quantum moments, specifically decomposing complex numbers in terms of a (signed) magnitude and phase instead of real and imaginary parts. We then test our new algorithm in numerous cases showing a neutrino fast flavor instability, varying from toy models with analytic solutions to snapshots from neutron star merger simulations. Compared to previous algorithms for neutrino transport with flavor mixing, we find uniformly smaller growth rates of the flavor transformation along with concomitantly larger length-scales, and that the results are a better match with the growth rates seen from multiangle codes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Fluid-driven fractures in granular media: Insights from numerical investigations

We investigate the mechanisms of opening-mode fracture initiation in granular media. The study is based on a simulation of grain-scale fluid-grain interactions through a coupled numerical approach in which the discrete element method is used to solve for the mechanics of a solid granular medium, and computational fluid dynamics is used to model fluid flow and drag forces. In this work, we present benchmark problems with analytical solutions and validate this numerical model against experiments on a viscous-drag-driven cavity in the literature. Additional simulation results show fracture initiation mechanisms in a random granular packing subjected to constant boundary stresses and to fluid injection with a localized source. The dimensionless variable $F_s/F_{sk}$ (ratio of seepage force $F_s$ and skeletal force $F_{sk}$) incorporates the impacts of physical properties and injection parameters including fluid viscosity, injection velocity, grain size, and effective stresses, and it has been used as a criterion separating regimes of fluid invasion and drag-driven fracture opening. Our simulation results show that $F_s/F_{sk}$ in combination with $τ_1$ (ratio of diffusion time from hydromechanical coupling and injection time) serves as a prediction of fracture opening within granular packing. We suggest a simple criterion ($F_s/F_{sk}$ > 1 or $τ_1$ > 0.17) that is valid for various types of granular media and injection conditions to determine if fracture opening will occur. Among other applications, this study is useful to predict the initiation and propagation of fractures in natural sediments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Simulating pitch angle scattering using an explicitly solvable energy-conserving algorithm

Particle distribution functions evolving under the Lorentz operator can be simulated with the Langevin equation for pitch angle scattering. This approach is frequently used in particle based Monte-Carlo simulations of plasma collisions, among others. However, most numerical treatments do not guarantee energy conservation, which may lead to unphysical artifacts such as numerical heating and spectra distortions. In this paper, we present a novel structure-preserving numerical algorithm for the Langevin equation for pitch angle scattering. Similar to the well-known Boris algorithm, the proposed numerical scheme takes advantage of the structure-preserving properties of the Cayley transform when calculating the velocity-space rotations. The resulting algorithm is explicitly solvable, while preserving the norm of velocities down to machine precision. We demonstrate that the method has the same order of numerical convergence as the traditional stochastic Euler-Maruyama method. The numerical scheme is benchmarked by simulating the pitch angle scattering of a particle beam, and comparing with the analytical solution. Benchmark results show excellent agreement with theoretical predictions, showcasing the remarkable long time accuracy of the proposed algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Modeling single-molecule stretching experiments using statistical thermodynamics

Single-molecule stretching experiments are widely utilized within the fields of physics and chemistry to characterize the mechanics of individual bonds or molecules, as well as chemical reactions. Analytic relations describing these experiments are valuable, and these relations can be obtained through the statistical thermodynamics of idealized model systems representing the experiments. Since the specific thermodynamic ensembles manifested by the experiments affect the outcome, primarily for small molecules, the stretching device must be included in the idealized model system. Though the model for the stretched molecule might be exactly solvable, including the device in the model often prevents analytic solutions. In the limit of large or small device stiffness, the isometric or isotensional ensembles can provide effective approximations, but the device effects are missing. Here a dual set of asymptotically correct statistical thermodynamic theories are applied to develop accurate approximations for the full model system that includes both the molecule and the device. In conclusion, the asymptotic theories are first demonstrated to be accurate using the freely jointed chain model and then using molecular dynamics calculations of a single polyethylene chain.

74 ATOMIC AND MOLECULAR PHYSICS↗