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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dissipative Floquet Dynamics: from Steady State to Measurement Induced Criticality in Trapped-ion Chains

Quantum systems evolving unitarily and subject to quantum measurements exhibit various types of non-equilibrium phase transitions, arising from the competition between unitary evolution and measurements. Dissipative phase transitions in steady states of time-independent Liouvillians and measurement induced phase transitions at the level of quantum trajectories are two primary examples of such transitions. Investigating a many-body spin system subject to periodic resetting measurements, we argue that many-body dissipative Floquet dynamics provides a natural framework to analyze both types of transitions. We show that a dissipative phase transition between a ferromagnetic ordered phase and a paramagnetic disordered phase emerges for long-range systems as a function of measurement probabilities. A measurement induced transition of the entanglement entropy between volume law scaling and sub-volume law scaling is also present, and is distinct from the ordering transition. The two phases correspond to an error-correcting and a quantum-Zeno regimes, respectively. The ferromagnetic phase is lost for short range interactions, while the volume law phase of the entanglement is enhanced. An analysis of multifractal properties of wave function in Hilbert space provides a common perspective on both types of transitions in the system. Our findings are immediately relevant to trapped ion experiments, for which we detail a blueprint proposal based on currently available platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Testing the conservative character of particle simulations: I. Canonical and noncanonical guiding center model in Boozer coordinates

The guiding center (GC) Lagrangian in Boozer coordinates for toroidally confined plasmas can be cast into canonical form by eliminating terms containing the covariant component B Ψ P of the magnetic field vector with respect to the poloidal flux function Ψ P . In an unperturbed plasma, B Ψ P can be eliminated via exact coordinate transformations, but, in general, one relies on approximations, assuming that the effect of B Ψ P is small. In this work, we are interested in the question whether Hamiltonian conservation laws are still satisfied when B Ψ P is retained in the presence of fluctuations. Considering fast ions in the presence of a shear Alfvén wave field with fixed amplitude, fixed frequency, and a single toroidal mode number n, we show that simulations using the code ORBIT with and without B Ψ P yield practically the same resonant and nonresonant GC orbits. The numerical results are consistent with theoretical analyses (presented in the appendix), which show that the unabridged GC Lagrangian with B Ψ P retained yields equations of motion that possess two key properties of Hamiltonian flows: (i) phase space conservation and (ii) energy conservation. As counter-examples, we also show cases where energy conservation (ii) or both conservation laws (i) and (ii) are broken by omitting certain small terms. When testing the conservative character of the simulation code, it is found to be beneficial to apply perturbations that do not resemble normal (eigen) modes of the plasma. The deviations are enhanced and, thus, more easily spotted when one inspects wave-particle interactions using nonnormal modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

VarIabiLity seLection of AstrophysIcal sources iN PTF (VILLAIN): I. Structure function fits to 71 million objects

Light-curve variability is well-suited to characterizing objects in surveys with high cadence and a long baseline. This is especially relevant in view of the large datasets to be produced by the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). We aim to determine variability parameters for objects in the Palomar Transient Factory (PTF) and explore differences between quasars (QSOs), stars, and galaxies. We relate variability and colour information in preparation for future surveys. We fit joint likelihoods to structure functions (SFs) of 71 million PTF light curves with a Markov chain Monte Carlo method. For each object, we assume a power-law SF and extract two parameters: the amplitude on timescales of one year, A, and a power-law index, γ. With these parameters and colours in the optical (Pan-STARRS1) and mid-infrared (WISE), we identify regions of parameter space dominated by different types of spectroscopically confirmed objects from SDSS. Candidate QSOs, stars, and galaxies are selected to show their parameter distributions. QSOs show high-amplitude variations in the R band, and the highest γ values. Galaxies have a broader range of amplitudes and their variability shows relatively little dependency on timescale. With variability and colours, we achieve a photometric selection purity of 99.3% for QSOs. Even though hard cuts in monochromatic variability alone are not as effective as seven-band magnitude cuts, variability is useful in characterizing object subclasses. Through variability, we also find QSOs that were erroneously classified as stars in the SDSS. We discuss perspectives and computational solutions in view of the upcoming LSST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Ohm’s Law, the Reconnection Rate, and Energy Conversion in Collisionless Magnetic Reconnection

Magnetic reconnection is a ubiquitous plasma process that transforms magnetic energy into particle energy during eruptive events throughout the universe. Reconnection not only converts energy during solar flares and geomagnetic substorms that drive space weather near Earth, but it may also play critical roles in the high energy emissions from the magnetospheres of neutron stars and black holes. In this review article, we focus on collisionless plasmas that are most relevant to reconnection in many space and astrophysical plasmas. Guided by first-principles kinetic simulations and spaceborne in-situ observations, we highlight the most recent progress in understanding this fundamental plasma process. We start by discussing the non-ideal electric field in the generalized Ohm’s law that breaks the frozen-in flux condition in ideal magnetohydrodynamics and allows magnetic reconnection to occur. We point out that this same reconnection electric field also plays an important role in sustaining the current and pressure in the current sheet and then discuss the determination of its magnitude (i.e., the reconnection rate), based on force balance and energy conservation. This approach to determining the reconnection rate is applied to kinetic current sheets with a wide variety of magnetic geometries, parameters, and background conditions. We also briefly review the key diagnostics and modeling of energy conversion around the reconnection diffusion region, seeking insights from recently developed theories. Finally, future prospects and open questions are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

An efficient, conservative, time-implicit solver for the fully kinetic arbitrary-species 1D-2V Vlasov-Ampère system

In this paper, we consider the solution of the fully kinetic (including electrons) Vlasov-Ampère system in a one-dimensional physical space and two-dimensional velocity space (1D-2V) for an arbitrary number of species with a time-implicit Eulerian algorithm. The problem of velocity-space meshing for disparate thermal and bulk velocities is dealt with by an adaptive coordinate transformation of the Vlasov equation for each species, which is then discretized, including the resulting inertial terms. Mass, momentum, and energy are conserved, and Gauss's law is enforced to within the nonlinear convergence tolerance of the iterative solver through a set of nonlinear constraint functions while permitting significant flexibility in choosing discretizations in time, configuration, and velocity space. We mitigate the temporal stiffness introduced by, e.g., the plasma frequency through the use of high-order/low-order (HOLO) acceleration of the iterative implicit solver. We present several numerical results for canonical problems of varying degrees of complexity, including the multiscale ion-acoustic shock wave problem, which demonstrate the efficacy, accuracy, and efficiency of the scheme.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Thermal conductivity of two-dimensional disordered fibrous materials defined by interfiber thermal contact conductance and intrinsic conductivity of fibers

A general framework for the theoretical analysis and numerical calculations of the effective thermal conductivity of two-dimensional homogeneous and isotropic disordered fibrous materials is developed in this work based on the model of random contacts between soft-core spherocylinders. The analysis accounts for the interfiber contact conductance and intrinsic conductivity of fibers and is performed in a wide space of governing parameters that includes the fiber aspect ratio, Biot number calculated for a single thermal contact between fibers, and material density ranging from values corresponding to the percolation threshold up to those characteristic of dense fiber networks. For dense networks, exact theoretical equations for the thermal conductivity of materials composed of spherocylinders with an arbitrary aspect ratio and Biot number are derived. The effect of the intrinsic conductivity of fibers on the thermal transport in fibrous materials is found to depend on the density of contacts and can be significant in sufficiently dense fiber networks even if the Biot number for a single thermal contact is small. Semiempirical corrections to the theoretical equations are derived for small and moderate fiber densities. The power law exponent describing the approximate dependence of the conductivity on the density parameter is found to vary from values close to 1 up to values exceeding 2 when evaluated within different finite ranges of the density parameter. This finding explains the variability of scaling laws for thermal conductivity of fibrous materials suggested in the literature based on numerical simulations performed in different regions of the space of material parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Obstacles to constructing de Sitter space in string theory

There have been many attempts to construct de Sitter space-times in string theory. While arguably there have been some successes, this has proven challenging, leading to the de Sitter swampland conjecture: quantum theories of gravity do not admit stable or metastable de Sitter space. Here we explain that, within controlled approximations, one lacks the tools to construct de Sitter space in string theory. Such approximations would require the existence of a set of (arbitrarily) small parameters, subject to severe constraints. But beyond this one also needs an understanding of big-bang and big-crunch singularities that is not currently accessible to standard approximations in string theory. The existence or non-existence of metastable de Sitter space in string theory remains a matter of conjecture.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Physics-constrained machine learning for electrodynamics without gauge ambiguity based on Fourier transformed Maxwell’s equations

We utilize a Fourier transformation-based representation of Maxwell’s equations to develop physics-constrained neural networks for electrodynamics without gauge ambiguity, which we label the Fourier–Helmholtz–Maxwell neural operator method. In this approach, both of Gauss’s laws and Faraday’s law are built in as hard constraints, as well as the longitudinal component of Ampère–Maxwell in Fourier space, assuming the continuity equation. An encoder–decoder network acts as a solution operator for the transverse components of the Fourier transformed vector potential, $\hat{A}_⟂(k,t)$, whose two degrees of freedom are used to predict the electromagnetic fields. This method was tested on two electron beam simulations. Among the models investigated, it was found that a U-Net architecture exhibited the best performance as it trained quicker, was more accurate and generalized better than the other architectures examined. We demonstrate that our approach is useful for solving Maxwell’s equations for the electromagnetic fields generated by intense relativistic charged particle beams and that it generalizes well to unseen test data, while being orders of magnitude quicker than conventional simulations. We show that the model can be re-trained to make highly accurate predictions in as few as 20 epochs on a previously unseen data set.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Electric accumulation of millicharged particles

A terrestrial population of millicharged particles that interact significantly with normal matter can arise if they make up a dark matter subcomponent or if they are light enough to be produced in cosmic-ray air showers. Such particles thermalize to terrestrial temperatures through repeated scatters with normal matter in Earth’s environment. We show that a simple electrified shell (for example, a Van de Graaff generator) functions as an efficient accumulator of such room-temperature millicharged particles, parametrically enhancing their local density by as much as 12 orders of magnitude. This can be used to boost the sensitivity of any detector housed in the shell’s interior, such as ion traps and tests of Coulomb’s law. In a companion paper, we apply this specifically to Cavendish tests of Coulomb’s law, and we show that a well-established setup can probe a large region of unexplored parameter space, with sensitivity to the irreducible density of millicharged particles generated from cosmic rays that outperforms future accelerator searches for sub-GeV masses.

Berlin, Asher [Fermilab] (ORCID:0000000211561482)↗
DOE OSTI2020

Cosmological angular trispectra and non-Gaussian covariance

Angular cosmological correlators are infamously difficult to compute due to the highly oscillatory nature of the projection integrals. Motivated by recent development on analytic approaches to cosmological perturbation theory, in this paper we present an efficient method for computing cosmological four-point correlations in angular space, generalizing previous works on lower-point functions. This builds on the FFTLog algorithm that approximates the matter power spectrum as a sum over power-law functions, which makes certain momentum integrals analytically solvable. The computational complexity is drastically reduced for correlators in a "separable" form—we define a suitable notion of separability for cosmological trispectra, and derive formulas for angular correlators of different separability classes. As an application of our formalism, we compute the angular galaxy trispectrum at tree level, with and without primordial non-Gaussianity. This includes effects of redshift space distortion and bias parameters up to cubic order. We also compute the non-Gaussian covariance of the angular matter power spectrum due to the connected four-point function, beyond the Limber approximation. Finally, we demonstrate that, in contrast to the standard lore, the Limber approximation can fail for the non-Gaussian covariance computation even for large multipoles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Emergent hydrodynamic mode on SU(2) plaquette chains and quantum simulation

We search for emergent hydrodynamic modes in real-time Hamiltonian dynamics of 2+1-dimensional SU(2) lattice gauge theory on a quasi-one-dimensional plaquette chain, by numerically computing symmetric correlation functions of energy densities on lattice sizes of about 20 with the local Hilbert space truncated at 𝑗 max = $\frac{1}{2}$. Because of the Umklapp processes, we only find a mode for energy diffusion. The symmetric correlator exhibits transport peak near zero frequency with a width approximately proportional to momentum squared at small momentum, when the system is fully quantum ergodic, as indicated by the eigenenergy level statistics. This transport peak leads to a power-law 𝑡 −$\frac{1}{2}$ decay of the symmetric correlator at late time, also known as the long-time tail, as well as diffusionlike spreading in position space. We also introduce a quantum algorithm for computing the symmetric correlator on a quantum computer and find it gives results consistent with exact diagonalization when tested on the IBM emulator. Finally we discuss the future prospect of searching for the sound modes.

Hamiltonian systems↗
DOE OSTI2024

Differentiable modeling and optimization of non-aqueous Li-based battery electrolyte solutions using geometric deep learning

Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces. In this work, we develop a differentiable geometric deep learning (GDL) model for chemical mixtures, DiffMix, which is applied in guiding robotic experimentation and optimization towards fast charging battery electrolytes. In particular, we extend mixture thermodynamic and transport laws by creating GDL-learnable physical coefficients. We evaluate our model with mixture thermodynamics and ion transport properties, where we show improved prediction accuracy and model robustness of Diff-Mix than its purely data-driven variants. Furthermore, with a robotic experimentation setup, Clio, we improve ionic conductivity of electrolytes by over 18.8% within 10 experimental steps, via differentiable optimization built on DiffMix gradients. By combining GDL, mixture physics laws, and robotic experimentation, DiffMix expands the predictive modeling methods for chemical mixtures and enables efficient optimization in large chemical spaces.

25 - ENERGY STORAGE↗
DOE OSTI2022

Electron energization dynamics in interaction of self-generated magnetic vortices in upstream of collisionless electron/ion shocks

Abstract Relativistic collisionless shocks are considered responsible for particle energization mechanisms leading to particle acceleration. While electron energization in shock front region of electron/ion collisionless shocks are the most studied, the mechanism of electron energization in interaction with self-generated magnetic vortices (MVs) in the upstream region is still unclear. We investigate electron energization mechanism in the upstream region of electron/ion relativistic collisionless shocks, using two dimensional particle-in-cell (PIC) simulations. We discuss mechanism of electron energization which takes place in the upstream region of the shock, where the counter stream particles interact with incoming flow. The energy gain of electrons happens during their interaction with evolving fields of self-generated magnetic vortices in this region. Three Fermi-like electron energization scenarios are discussed. Stochastic acceleration of electrons in interaction with fields of MV leads to anisotropic heating of fast electrons due to diffusion in the momentum space of electrons and, finally, synergetic effect of evolving fields of MVs leads to the formation of a power-law tail of supra-thermal particles.

Naseri, N.↗
DOE OSTI2020

Estimating posterior quantity of interest expectations in a multilevel scalable framework

Scalable approaches for uncertainty quantification are necessary for characterizing prediction confidence in large-scale subsurface flow simulations with uncertain permeability. To this end we explore a multilevel Monte Carlo approach for estimating posterior moments of a particular quantity of interest, where we employ an element-agglomerated algebraic multigrid (AMG) technique to generate the hierarchy of coarse spaces with guaranteed approximation properties for both the generation of spatially correlated random fields and the forward simulation of Darcy's law to model subsurface flow. In both these components (sampling and forward solves), we exploit solvers that rely on state-of-the-art scalable AMG. To illustrate the applicability of this approach, numerical tests are performed on two 3D examples-a unit cube and an egg-shaped domain with an irregular boundary-where the scalability of each simulation as well as the scalability of the overall algorithm are demonstrated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

1D kinetic study of pinch formation in a dense plasma focus: Transition from collisional to collisionless regimes

Here, the pinch-formation stage of a deuterium dense plasma focus, and associated “shock-flash” neutron yield, is studied using 1D kinetic simulations considering a plasma column with initial pressure P, initial radius R, and the compression to be driven by a constant current I. The relative behavior of the compression is shown to be similar for fixed ratios of the characteristic ion mean free path to the radius of the plasma column at stagnation, $λ_{st}/R_{st}$. This dimensionless parameter is shown to scale like $I^4/(P^3R^5)$. The compression ratio, $R/R_{st}$, is found to be a minimum when $λ_{st}/R_{st} ≈$ 1 and is the largest in the collisionless limit where $λ_{st} \gg R_{st}$. This behavior is in contrast to the analogous planar pinch where R/Rst decreases from one constant for λst/Rst$\ll$1 to a smaller constant for $λ_{st}/R_{st} \gg$ 1. The yield in the collisionless regime is shown to fall between the two well-known $I^4$ scaling laws. Furthermore, this regime exhibits qualities that potentially make it appealing for radiography applications, such as increased localization in time and space of the neutron formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Study of carbon nanotube embedded honey as a resistive switching material

In this paper, natural organic honey embedded with carbon nanotubes (CNTs) was studied as a resistive switching material for biodegradable nonvolatile memory in emerging neuromorphic systems. CNTs were dispersed in a honey-water solution with the concentration of 0.2 wt% CNT and 30 wt% honey. The final honey-CNT-water mixture was spin-coated and dried into a thin film sandwiched in between Cu bottom electrode and Al top electrode to form a honey-CNT based resistive switching memory (RSM). Surface morphology, electrical characteristics and current conduction mechanism were investigated. The results show that although CNTs formed agglomerations in the dried honey-CNT film, both switching speed and the stability in SET and RESET process of honey-CNT RSM were improved. The mechanism of current conduction in CNT is governed by Ohm’s law in low-resistance state and the low-voltage range in high-resistance state, but transits to the space charge limited conduction at high voltages approaching the SET voltage.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Neutron Radiography and Computed Tomography of Biological Systems at the Oak Ridge National Laboratory's High Flux Isotope Reactor

Neutrons have historically been used for a broad range of biological applications employing techniques such as small-angle neutron scattering, neutron spin echo, diffraction, and inelastic scattering. Unlike neutron scattering techniques that obtain information in reciprocal space, attenuation-based neutron imaging measures a signal in real space that is resolved on the order of tens of micrometers. The principle of neutron imaging follows the Beer-Lambert law and is based on the measurement of the bulk neutron attenuation through a sample. Greater attenuation is exhibited by some light elements (most notably, hydrogen), which are major components of biological samples. Contrast agents such as deuterium, gadolinium, or lithium compounds can be used to enhance contrast in a similar fashion as it is done in medical imaging, including techniques such as optical imaging, magnetic resonance imaging, X-ray, and positron emission tomography. For biological systems, neutron radiography and computed tomography have increasingly been used to investigate the complexity of the underground plant root network, its interaction with soils, and the dynamics of water flux in situ. Moreover, efforts to understand contrast details in animal samples, such as soft tissues and bones, have been explored. This manuscript focuses on the advances in neutron bioimaging such as sample preparation, instrumentation, data acquisition strategy, and data analysis using the High Flux Isotope Reactor CG-1D neutron imaging beamline. The aforementioned capabilities will be illustrated using a selection of examples in plant physiology (herbaceous plant/root/soil system) and biomedical applications (rat femur and mouse lung).

Bilheux, Hassina↗
DOE OSTI2021

On Stochastic Heating and Its Phase-space Signatures in Low-beta Kinetic Turbulence

We revisit the theory of stochastic heating of ions and investigate its phase-space signatures in kinetic turbulence of relevance to low- β portions of the solar wind. In particular, we retain a full scale-dependent approach in our treatment, and we explicitly consider the case in which electric-field fluctuations can be described by a generalized Ohm's law that includes Hall and thermoelectric effects. These two electric-field terms provide the dominant contributions to stochastic ion heating when the ion-Larmor scale is much smaller than the ion skin depth, ρ i << d i , which is the case at β << 1. Employing well-known spectral scaling laws for Alfvén-wave and kinetic-Alfvén-wave turbulent fluctuations, we obtain scaling relations characterizing the field-perpendicular particle-energization rate and energy diffusion coefficient associated with stochastic heating in these two regimes. Phase-space signatures of ion heating are then investigated using three-dimensional hybrid-kinetic simulations of continuously driven Alfvénic turbulence at low β (namely, β i = β e = 0.3 and β i = β e = 1/9). In these simulations, energization of ions parallel to the magnetic field is subdominant compared to its perpendicular counterpart ( Q ∥,i << Q ⊥,i ), and the fraction of turbulent energy that goes into ion heating is ≈75% at β i = 0.3 and ≈40% at β i ≃ 0.1. The phase-space signatures of ion energization are consistent with Landau-resonant collisionless damping and a ( β -dependent) combination of ion-cyclotron and stochastic heating. We demonstrate good agreement between our scale-dependent theory and various signatures associated with the stochastic portion of the heating. We discuss briefly the effect of intermittency on stochastic heating and the implications of our work for the interpretation of stochastic heating in solar-wind spacecraft data.

79 ASTRONOMY AND ASTROPHYSICS↗