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At least 325 records · Page 18

All sources NASA NTRS DOE OSTI

DOE OSTI2024

The persistence of memory in ionic conduction probed by nonlinear optics

Predicting practical rates of transport in condensed phases enables the rational design of materials, devices and processes. This is especially critical to developing low-carbon energy technologies such as rechargeable batteries. For ionic conduction, the collective mechanisms, variation of conductivity with timescales and confinement, and ambiguity in the phononic origin of translation, call for a direct probe of the fundamental steps of ionic diffusion: ion hops. However, such hops are rare-event large-amplitude translations, and are challenging to excite and detect. Here we use single-cycle terahertz pumps to impulsively trigger ionic hopping in battery solid electrolytes. This is visualized by an induced transient birefringence, enabling direct probing of anisotropy in ionic hopping on the picosecond timescale. The relaxation of the transient signal measures the decay of orientational memory, and the production of entropy in diffusion. We extend experimental results using in silico transient birefringence to identify vibrational attempt frequencies for ion hopping. Using nonlinear optical methods, we probe ion transport at its fastest limit, distinguish correlated conduction mechanisms from a true random walk at the atomic scale, and demonstrate the connection between activated transport and the thermodynamics of information.

25 ENERGY STORAGE↗

DOE OSTI2022

Anomalous magnetic noise in an imperfectly flat landscape in the topological magnet Dy 2 Ti 2 O 7

Noise generated by motion of charge and spin provides a unique window into materials at the atomic scale. From temperature of resistors to electrons breaking into fractional quasiparticles, “listening” to the noise spectrum is a powerful way to decode underlying dynamics. Here, we use ultrasensitive superconducting quantum interference device (SQUIDs) to probe the puzzling noise in a frustrated magnet, the spin-ice compound Dy 2 Ti 2 O 7 (DTO), revealing cooperative and memory effects. DTO is a topological magnet in three dimensions—characterized by emergent magnetostatics and telltale fractionalized magnetic monopole quasiparticles—whose real-time dynamical properties have been an enigma from the very beginning. We show that DTO exhibits highly anomalous noise spectra, differing significantly from the expected Brownian noise of monopole random walks, in three qualitatively different regimes: equilibrium spin ice, a “frozen” regime extending to ultralow temperatures, and a high-temperature “anomalous” paramagnet. We present several distinct mechanisms that give rise to varied colored noise spectra. In addition, we identify the structure of the local spin-flip dynamics as a crucial ingredient for any modeling. Thus, the dynamics of spin ice reflects the interplay of local dynamics with emergent topological degrees of freedom and a frustration-generated imperfectly flat energy landscape, and as such, it points to intriguing cooperative and memory effects for a broad class of magnetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Neural Algorithms for Low Power Implementation of Partial Differential Equations

The rise of low-power neuromorphic hardware has the potential to change high-performance computing; however much of the focus on brain-inspired hardware has been on machine learning applications. A low-power solution for solving partial differential equations could radically change how we approach large-scale computing in the future. The random walk is a fundamental stochastic process that underlies many numerical tasks in scientific computing applications. We consider here two neural algorithms that can be used to efficiently implement random walks on spiking neuromorphic hardware. The first method tracks the positions of individual walkers independently by using a modular code inspired by grid cells in the brain. The second method tracks the densities of random walkers at each spatial location directly. We present the scaling complexity of each of these methods and illustrate their ability to model random walkers under different probabilistic conditions. Finally, we present implementations of these algorithms on neuromorphic hardware.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Distinct universality classes of diffusive transport from full counting statistics

The hydrodynamic transport of local conserved densities furnishes an effective coarse-grained description of the dynamics of a many-body quantum system. However, the full quantum dynamics contains much more structure beyond the simplified hydrodynamic description. Here we show that systems with the same hydrodynamics can nevertheless belong to distinct dynamical universality classes, as revealed by new classes of experimental observables accessible in synthetic quantum systems, which can, for instance, measure simultaneous site-resolved snapshots of all of the particles in a system. Specifically, we study the full counting statistics of spin transport, whose first moment is related to linear-response transport, but the higher moments go beyond. We present an analytic theory of the full counting statistics of spin transport in various integrable and nonintegrable anisotropic one-dimensional spin models, including the XXZ spin chain. We find that spin transport, while diffusive on average, is governed by a distinct non-Gaussian dynamical universality class in the models considered. We consider a setup in which the left and right half of the chain are initially created at different magnetization densities, and consider the probability distribution of the magnetization transferred between the two half-chains. We derive a closed-form expression for the probability distribution of the magnetization transfer, in terms of random walks on the half-line. We show that this distribution strongly violates the large-deviation form expected for diffusive chaotic systems, and explain the physical origin of this violation. Here, we discuss the crossovers that occur as the initial state is brought closer to global equilibrium. Our predictions can directly be tested in experiments using quantum gas microscopes or superconducting qubit arrays.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1995

Large-scale magnetic variances near the South Solar Pole

We summarize recent Ulysses observations of the variances over large temporal scales in the interplanetary magnetic field components and their increase as Ulysses approached the South Solar Pole. A model of these fluctuations is shown to provide a very good fit to the observed amplitude and temporal variation of the fluctuations. In addition, the model predicts that the transport of cosmic rays in the heliosphere will be significantly altered by this level of fluctuations. In addition to altering the inward diffusion and drift access of cosmic rays over the solar poles, we find that the magnetic fluctuations also imply a large latitudinal diffusion, caused primarily by the associated field-line random walk.

Jokipii, J. R.↗

DOE OSTI2013

ENERGETIC PARTICLE CROSS-FIELD PROPAGATION EARLY IN A SOLAR EVENT

Solar energetic particles (SEPs) have been observed to easily spread across heliographic longitudes, and the mechanisms responsible for this behavior remain unclear. We use full-orbit simulations of a 10 MeV proton beam in a turbulent magnetic field to study to what extent the spread across the mean field can be described as diffusion early in a particle event. We compare the full-orbit code results to solutions of a Fokker-Planck equation including spatial and pitch angle diffusion, and of one including also propagation of the particles along random-walking magnetic field lines. We find that propagation of the particles along meandering field lines is the key process determining their cross-field spread at 1 AU at the beginning of the simulated event. The mean square displacement of the particles an hour after injection is an order of magnitude larger than that given by the diffusion model, indicating that models employing spatial cross-field diffusion cannot be used to describe early evolution of an SEP event. On the other hand, the diffusion of the particles from their initial field lines is negligible during the first 5 hr, which is consistent with the observations of SEP intensity dropouts. We conclude that modeling SEP events must take into account the particle propagation along meandering field lines for the first 20 hr of the event.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1995

A count probability cookbok: Spurious effects and the scaling model

We study the errors brought by finite volume effects and dilution effects on the practical determination of the count probability distribution function P(sub N)(n,l), which is the probability of having N objects in a cell of volume l cubed for a set of average number density n. Dilution effects are particularly revelant to the so-called sparse sampling strategy. This work is mainly done in the framework of the Bailan & Schaeffer scaling model, which assumes that the Q-body correlation functions obey the scaling relation Xi(sub Q)(lambda r(sub l),....lambda r(sub Q) = lambda(exp -(Q-1)gamma) Xi(sub Q)(r(sub 1),....r(sub Q)). We use three synthetic samples as references to perform our analysis: a fractal generated by a Rayleigh-Levy random walk with approximately 3 x 10(exp 4) objects, a sample dominated by a spherical power-law cluster with approximately 3 x 10(exp 4) objects and a cold dark matter (CDM) universe involving approximately 3 x 10(exp 5) matter particles.

Colombi, S.↗

DOE OSTI2022

Rotational Dynamics and Transition Mechanisms of Surface-Adsorbed Proteins

Assembly of biomolecules at solid-water interfaces requires molecules to traverse complex orientation-dependent energy landscapes through processes that are poorly understood, largely due to the dearth of in-situ single molecule measurements and statistical analyses of the rotational dynamics that define directional selection. Emerging capabilities in high-speed atomic force microscopy and machine learning have allowed us to directly determine the orientational energy landscape and observe and quantify the rotational dynamics for protein nanorods on the surface of muscovite mica under a variety of conditions. Comparisons with kinetic Monte Carlo simulations show that the transition rates between adjacent orientation-specific energetic minima can largely be understood through traditional models of in-plane Brownian rotation across a biased energy landscape, with resulting transition rates that are exponential in the energy-barriers between states. However, transitions between more distant angular states are decoupled from barrier height, with jump-size distributions showing a power-law decay that is characteristic of a non-classical Levy-flight random walk, indicating that large jumps are enabled by alternative modes of motion via activated states. The findings provide new insights into the dynamics of biomolecules at solid-liquid interfaces that lead to self-assembly, epitaxial matching and other orientationally anisotropic outcomes and define a general procedure for exploring such dynamics with implications for hybrid biomolecular-inorganic materials design.

Orientational energy landscapes, Rotational dynami↗

DOE OSTI2022

Details of the neutral energy distribution and ionization source using spectrally resolved Balmer-alpha measurements on DIII-D

Spectrally resolved passive Balmer- α (D- α, H- α) measurements from the DIII-D 16 channel edge main-ion charge exchange recombination system confirm the presence of higher energy neutrals (“thermal” neutrals) in addition to the cold neutrals that recycle off the walls in the edge region of DIII-D plasmas. Charge exchange between thermal ions and edge neutrals transfers energy and momentum between the populations giving rise to thermal neutrals with energies approximating the ions in the pedestal region. Multiple charge exchange events in succession allow an electron to effectively take a random walk, transferring from ion to ion, providing a pathway of increasing energy and velocity, permitting a neutral to get deeper into the plasma before a final ionization event that contributes to the ion and electron particle fueling. Spectrally resolved measurements provide information about the density and velocity distribution of these neutrals, which has been historically valuable for validating Monte Carlo neutral models, which include the multi stage charge exchange dynamics. Here, in this study, a multi-channel set of such measurements is used to specifically isolate the details of the thermal neutrals that are responsible for fueling inside the pedestal top. Being able to separate the thermal from the cold emission overcomes several challenges associated with optical filter-based neutral density measurements. The neutral dynamics, deeper fueling by the thermal neutrals, and spectral measurement are modeled with the FIDASIM Monte Carlo collisional radiative code, which also produces synthetic spectra with a shape that is in close agreement with the measurements. By scaling the number of neutrals in the simulation to match the intensity of the thermal emission, we show it is possible to obtain local neutral densities and ionization source rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Memoryless self-reinforcing directionality in endosomal active transport within living cells

In contrast to Brownian transport, the active motility of microbes, cells, animals and even humans often follows another random process known as truncated Levy walk 1,2 . These stochastic motions are characterized by clustered small steps and intermittent longer jumps that often extend towards the size of the entire system. As there are repeated suggestions, although disagreement, that Levy walks have functional advantages over Brownian motion in random searching and transport kinetics 3-8 , their intentional engineering into active materials could be useful. Here, we show experimentally in the classic active matter system of intracellular trafficking 9-15 that Brownian-like steps self-organize into truncated Levy walks through an apparent time-independent positive feedback such that directional persistence increases with the distance traveled persistently. A molecular model that allows the maximum output of the active propelling forces to fluctuate slowly fits the experiments quantitatively. Furthermore, our findings offer design principles for programming efficient transport in active materials.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Coherence effects on quasi-periodic oscillations from Galactic X-ray sources

Shot noise models provide a useful mathematical representation for some physical models for the quasi-periodic oscillations recently observed from several Galactic bulge and burst X-ray sources. For such models, correlations between the shot onset times and oscillation phases can have important effects on the expected autocorrelation function and power spectrum, with important consequences for the interpretation of observed power spectra. Making use of analytic and Monte Carlo techniques, two physically plausible correlations of this kind, one corresponding to drift and jitter in the oscillation phase and the other to a random walk in the oscillation phase, are examined.

Elsner, R. F.↗

DOE OSTI2017

Learning molecular energies using localized graph kernels

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Cosmological gamma-ray burst model

A cosmological gamma-ray burst model that reproduces the observed gamma-ray spectra was developed. This model, which is an outgrowth of work on synchrotron emission from cosmological sources, creates the observed spectra from a power law spectrum through Compton attenuation in dense molecular clouds. It restricts the burst source to the centers of galaxies, and it is easily tested through comparisons with time dependent burst spectra. Dr. Brainerd continued development of a Monte Carlo code that tracks the random walk of a gamma-ray through a plasma in a strong magnetic field and used this code to show that a two temperature plasma in a strong magnetic field can suppress soft x-ray emission.

Brainerd, J. J.↗

DOE OSTI2013

A bayesian approach to estimate the size and structure of the broad-line region in active galactic nuclei using reverberation mapping data

This is the first paper in a series devoted to the systematic study of the size and structure of the broad-line region (BLR) in active galactic nuclei (AGNs) using reverberation mapping (RM) data. We employ a recently developed Bayesian approach that statistically describes the variability as a damped random walk process and delineates the BLR structure using a flexible disk geometry that can account for a variety of shapes, including disks, rings, shells, and spheres. We allow for the possibility that the line emission may respond non-linearly to the continuum, and we detrend the light curves when there is clear evidence for secular variation. We use a Markov Chain Monte Carlo implementation based on Bayesian statistics to recover the parameters and uncertainties for the BLR model. The corresponding transfer function is obtained self-consistently. We tentatively constrain the virial factor used to estimate black hole masses; more accurate determinations will have to await velocity-resolved RM data. Application of our method to RM data with Hβ monitoring for about 40 objects shows that the assumed BLR geometry can reproduce quite well the observed emission-line fluxes from the continuum light curves. We find that the Hβ BLR sizes obtained from our method are on average ∼20% larger than those derived from the traditional cross-correlation method. Nevertheless, we still find a tight BLR size-luminosity relation with a slope of α = 0.55 ± 0.03 and an intrinsic scatter of ∼0.18 dex. In particular, we demonstrate that our approach yields appropriate BLR sizes for some objects (such as Mrk 142 and PG 2130+099) where traditional methods previously encountered difficulties.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1995

Field lines and magnetic surfaces in a two-component slab/2D model of interplanetary magnetic fluctuations

A two-component model for the spectrum of interplanetary magnetic fluctuations was proposed on the basis of ISEE observations, and has found an intriguing level of application in other solar wind studies. The model fluctuations consist of a fraction of 'slab' fluctuations, varying only in the direction parallel to the locally uniform mean magnetic field B(0) and a complement of 2D (two-dimensional) fluctuations that vary in the directions transverse to B(0). We have developed an spectral method computational algorithm for computing the magnetic flux surfaces (flux tubes) associated with the composite model, based upon a precise analogy with equations for ideal transport of a passive scalar in planar two dimensional geometry. Visualization of various composite models will be presented, including the 80 percent 2D/ 20 percent slab model with delta B/B(0) approximately equals 1 and a minus 5/3 spectral law, that is thought to approximately represent a snapshot of solar wind turbulence. Characteristically, the visualizations show that flux tubes, even when defined as regular on some plane, shred and disperse rapidly as they are viewed along the parallel direction. This diffusive process, which generalizes the standard picture of field line random walk, will be discussed in detail. Evidently, the traditional picture that flux tubes randomize like strands of spaghetti with a uniform tangle along the axial direction is in need of modification.

Matthaeus, W. H.↗

NASA NTRS1990

The 60 micron to 20 centimeter infrared-to-radio ratio within spiral galaxies

A detailed comparison is presented of the distribution of 60 micron IR and 20 cm radio continuum emission within 25 galaxies, mostly disk spirals. Local maxima in the thermal IR and nonthermal radio emission are found to be spatially coincident on scales of less than about 0.4 kpc in the nearest sample galaxies. The IR-red disk in normal spirals appears to be characterized by a shorter scale length than that of the radio continuum disk, suggesting that the IR-to-radio ratio should decrease as a function of radius. A model that successfully accounts for the observations is introduced which is based on the assumptions of steady-state star formation activity within the disk on kpc scales and a tight coupling between the origins of the dust-heating radiation and the radio-emitting cosmic-ray electrons. The underlying source is described as an exponential disk. The results also suggest that a random walk process cannot by itself describe the temporal evolution of cosmic rays.

Bicay, M. D.↗

DOE OSTI2011

Diffusion Coefficients in Liquid and Grain Boundary Predicted by Ab Initio Molecular Dynamics

Molecular dynamics (MD) is a powerful tool to probe the thermodynamic and kinetic properties of solid, glass and liquid phases. In classical molecular dynamics (CMD), empirical models are used to describe the force by considering bond, bend and dihedral angle contributions with parameters fitted to experimental data or first-principles calculations of small clusters. In the ab initio molecular dynamics (AIMD), the forces are calculated on the fly using the first-principles density functional theory as discussed above. In the present work, we use AIMD simulations to follow the random walk of atoms in the liquid state. Based on the mean square displacements (MSD), the diffusion coefficients are calculated from the Einstein equation. Furthermore, we extend this approach to understand the diffusion in grain boundaries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Localization in Fractonic Random Circuits

We study the spreading of initially local operators under unitary time evolution in a one-dimensional random quantum circuit model that is constrained to conserve a U ( 1 ) charge and also the dipole moment of this charge. These constraints are motivated by the quantum dynamics of fracton phases. We discover that the charge remains localized at its initial position, providing a crisp example of a nonergodic dynamical phase of random circuit dynamics. This localization can be understood as a consequence of the return properties of low-dimensional random walks, through a mechanism reminiscent of weak localization, but insensitive to dephasing. The charge dynamics is well described by a system of coupled hydrodynamic equations, which makes several nontrivial predictions that are all in good agreement with numerics in one dimension. Importantly, these equations also predict localization in two-dimensional fractonic random circuits. We further find that the immobile fractonic charge emits nonconserved operators, whose spreading is governed by exponents that are distinct from those observed in nonfractonic circuits. These nonstandard exponents are also explained by our coupled hydrodynamic equations. Where entanglement properties are concerned, we find that fractonic operators exhibit a short time linear growth of observable entanglement with saturation to an area law, as well as a subthermal volume law for operator entanglement. The entanglement spectrum is found to follow semi-Poisson statistics, similar to eigenstates of many-body localized systems. The nonergodic phenomenology is found to persist to initial conditions containing nonzero density of dipolar or fractonic charge, including states near the sector of maximal charge. Our work implies that low-dimensional fracton systems should preserve forever a memory of their initial conditions in local observables under noisy quantum dynamics, thereby constituting ideal memories. It also implies that one- and two-dimensional fracton systems should realize true many-body localization (MBL) under Hamiltonian dynamics, even in the absence of disorder, with the obstructions to MBL in translation-invariant systems and in spatial dimensions greater than one being evaded by the nature of the mechanism responsible for localization. We also suggest a possible route to new nonergodic phases in high dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗