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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Kinetics of State Switching in Quasi-One-Dimensional Nanosystems. Statistical Model of the Influence of Defects

The role of native and radiation-induced defects in the state switching kinetics for one-dimensional systems (nanowires, molecular single-chain magnets, biological macromolecules, and many others) has been studied. An analytical approach to the description of the influence of randomly located defects on the dynamics of new-phase domains is developed using an analogy with stochastic processes in queueing theory. This method makes it possible to calculate threshold phenomena and the dependence of switching fields on material parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Stochastic Kinetics of Nanocatalytic Systems

Catalytic reaction events occurring on the surface of a nanoparticle constitute a complex stochastic process. Although advances in modern single-molecule experiments enable direct measurements of individual catalytic turnover events occurring on a segment of a single nanoparticle, we do not yet know how to measure the number of catalytic sites in each segment or how the catalytic turnover counting statistics and the catalytic turnover time distribution are related to the microscopic dynamics of catalytic reactions. Here, we address these issues by presenting a stochastic kinetics for nanoparticle catalytic systems. We propose a new experimental measure of the number of catalytic sites in terms of the mean and variance of the catalytic event count. By considering three types of nanocatalytic systems, we investigate how the mean, the variance, and the distribution of the catalytic turnover time depend on the catalytic reaction dynamics, the heterogeneity of catalytic activity, and communication among catalytic sites. This work enables accurate quantitative analyses of single-molecule experiments for nanocatalytic systems and enzymes with multiple catalytic sites.

Statistical Physics↗
DOE OSTI2016

Path-space variational inference for non-equilibrium coarse-grained systems

In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Multidimensional characterization of stochastic dynamical systems based on multiple perturbations and measurements

Generalized nonlinear response theory is presented for stochastic dynamical systems. Experiments in which multiple measurements of dynamical quantities are used along with multiple perturbations of parameters of dynamical systems are described by generalized response functions (GRFs). These constitute a new type of multidimensional measures of stochastic dynamics either in the time or the frequency domains. Closed expressions for GRFs in stochastic dynamical systems are derived and compared with numerical non-equilibrium simulations. Several types of perturbations are considered: impulsive and periodic perturbations of temperature and impulsive perturbations of coordinates. The present approach can be used to study various types of stochastic processes ranging from single-molecule conformational dynamics to chemical kinetics of finite-size reactors such as biocells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A formal method for identifying distinct states of variability in time-varying sources: SGR A* as an example

Continuously time variable sources are often characterized by their power spectral density and flux distribution. These quantities can undergo dramatic changes over time if the underlying physical processes change. However, some changes can be subtle and not distinguishable using standard statistical approaches. Here, we report a methodology that aims to identify distinct but similar states of time variability. We apply this method to the Galactic supermassive black hole, where 2.2 μm flux is observed from a source associated with Sgr A* and where two distinct states have recently been suggested. Our approach is taken from mathematical finance and works with conditional flux density distributions that depend on the previous flux value. The discrete, unobserved (hidden) state variable is modeled as a stochastic process and the transition probabilities are inferred from the flux density time series. Using the most comprehensive data set to date, in which all Keck and a majority of the publicly available Very Large Telescope data have been merged, we show that Sgr A* is sufficiently described by a single intrinsic state. However, the observed flux densities exhibit two states: noise dominated and source dominated. Our methodology reported here will prove extremely useful to assess the effects of the putative gas cloud G2 that is on its way toward the black hole and might create a new state of variability.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Weak Convergence of a Mass-Structured Individual-Based Model

We propose a model of chemostat where the bacterial population is individually-based, each bacterium is explicitly represented and has a mass evolving continuously over time. The substrate concentration is represented as a conventional ordinary differential equation. These two components are coupled with the bacterial consumption. Mechanisms acting on the bacteria are explicitly described (growth, division and washout). Bacteria interact via consumption. We set the exact Monte Carlo simulation algorithm of this model and its mathematical representation as a stochastic process. We prove the convergence of this process to the solution of an integro-differential equation when the population size tends to infinity. Finally, we propose several numerical simulations.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1994

Physical Models of Cognition

This paper presents and discusses physical models for simulating some aspects of neural intelligence, and, in particular, the process of cognition. The main departure from the classical approach here is in utilization of a terminal version of classical dynamics introduced by the author earlier. Based upon violations of the Lipschitz condition at equilibrium points, terminal dynamics attains two new fundamental properties: it is spontaneous and nondeterministic. Special attention is focused on terminal neurodynamics as a particular architecture of terminal dynamics which is suitable for modeling of information flows. Terminal neurodynamics possesses a well-organized probabilistic structure which can be analytically predicted, prescribed, and controlled, and therefore which presents a powerful tool for modeling real-life uncertainties. Two basic phenomena associated with random behavior of neurodynamic solutions are exploited. The first one is a stochastic attractor ; a stable stationary stochastic process to which random solutions of a closed system converge. As a model of the cognition process, a stochastic attractor can be viewed as a universal tool for generalization and formation of classes of patterns. The concept of stochastic attractor is applied to model a collective brain paradigm explaining coordination between simple units of intelligence which perform a collective task without direct exchange of information. The second fundamental phenomenon discussed is terminal chaos which occurs in open systems. Applications of terminal chaos to information fusion as well as to explanation and modeling of coordination among neurons in biological systems are discussed. It should be emphasized that all the models of terminal neurodynamics are implementable in analog devices, which means that all the cognition processes discussed in the paper are reducible to the laws of Newtonian mechanics.

Zak, Michail↗
DOE OSTI2017

A transformed path integral approach for solution of the Fokker–Planck equation

A novel path integral (PI) based method for solution of the Fokker–Planck equation is presented. The proposed method, termed the transformed path integral (TPI) method, utilizes a new formulation for the underlying short-time propagator to perform the evolution of the probability density function (PDF) in a transformed computational domain where a more accurate representation of the PDF can be ensured. The new formulation, based on a dynamic transformation of the original state space with the statistics of the PDF as parameters, preserves the non-negativity of the PDF and incorporates short-time properties of the underlying stochastic process. New update equations for the state PDF in a transformed space and the parameters of the transformation (including mean and covariance) that better accommodate nonlinearities in drift and non-Gaussian behavior in distributions are proposed (based on properties of the SDE). Owing to the choice of transformation considered, the proposed method maps a fixed grid in transformed space to a dynamically adaptive grid in the original state space. The TPI method, in contrast to conventional methods such as Monte Carlo simulations and fixed grid approaches, is able to better represent the distributions (especially the tail information) and better address challenges in processes with large diffusion, large drift and large concentration of PDF. Additionally, in the proposed TPI method, error bounds on the probability in the computational domain can be obtained using the Chebyshev's inequality. The benefits of the TPI method over conventional methods are illustrated through simulations of linear and nonlinear drift processes in one-dimensional and multidimensional state spaces. The effects of spatial and temporal grid resolutions as well as that of the diffusion coefficient on the error in the PDF are also characterized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A generalized parallel replica dynamics

Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynamics, which relies on the rapid convergence of the underlying stochastic process to a quasi-stationary distribution. Two requirements for applying parallel replica dynamics are knowledge of the time scale on which the process converges to the quasi-stationary distribution and a mechanism for generating samples from this distribution. By combining a Fleming–Viot particle system with convergence diagnostics to simultaneously identify when the process converges while also generating samples, we can address both points. This variation on the algorithm is illustrated with various numerical examples, including those with entropic barriers and the 2D Lennard-Jones cluster of seven atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

In-plane current induced domain wall nucleation and its stochasticity in perpendicular magnetic anisotropy Hall cross structures

Hall cross structures in magnetic nanowires are commonly used for electrical detection of magnetization reversal in which a domain wall (DW) is conventionally nucleated by a local Oersted field. In this letter, we demonstrate DW nucleation in Co/Ni perpendicular magnetic anisotropy nanowire at the magnetic Hall cross junction. The DWs are nucleated by applying an in-plane pulsed current through the nanowire without the need of a local Oersted field. The change in Hall resistance, detected using anomalous Hall effect, is governed by the magnetic volume switched at the Hall junction, which can be tuned by varying the magnitude of the applied current density and pulse width. The nucleated DWs are driven simultaneously under the spin transfer torque effect when the applied current density is above a threshold. The possibility of multiple DW generation and variation in magnetic volume switched makes nucleation process stochastic in nature. The in-plane current induced stochastic nature of DW generation may find applications in random number generation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Phase multistability in a dynamical small world network

The effect of phase multistability is explored in a small world network of periodic oscillators with diffusive couplings. The structure of the network represents a ring with additional non-local links, which spontaneously arise and vanish between arbitrary nodes. The dynamics of random couplings is modeled by “birth” and “death” stochastic processes by means of the cellular automate approach. The evolution of the network under gradual increasing of the number of random couplings goes through stages of phases fluctuations and spatial cluster formation. Finally, in the presence of non-local couplings the phase multistability “dies” and only the in-phase regime survives.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Effects of Noise-Induced Coherence on the Performance of Quantum Absorption Refrigerators

We study two models of quantum absorption refrigerators with the main focus on discerning the role of noise-induced coherence on their thermodynamic performance. Analogously to the previous studies on quantum heat engines, we find the increase in the cooling power due to the mechanism of noise-induced coherence. We formulate conditions imposed on the microscopic parameters of the models under which they can be equivalently described by classical stochastic processes and compare the performance of the two classes of fridges (effectively classical vs. truly quantum). We find that the enhanced performance is observed already for the effectively classical systems, with no significant qualitative change in the quantum cases, which suggests that the noise-induced-coherence-enhancement mechanism is caused by static interference phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A GLOBAL VIEW OF VELOCITY FLUCTUATIONS IN THE CORONA BELOW 1.3 R {sub ⊙} WITH CoMP

The Coronal Multi-channel Polarimeter (CoMP) has previously demonstrated the presence of Doppler velocity fluctuations in the solar corona. The observed fluctuations are thought to be transverse waves, i.e., highly incompressible motions whose restoring force is dominated by the magnetic tension, some of which demonstrate clear periodicity. We aim to exploit CoMP’s ability to provide high cadence observations of the off-limb corona to investigate the properties of velocity fluctuations in a range of coronal features, providing insight into how (whether) the properties of the waves are influenced by the varying magnetic topology in active regions, quiet Sun and open field regions. An analysis of Doppler velocity time-series of the solar corona from the 10747 Å Iron xiii line is performed, determining the velocity power spectrum and using it as a tool to probe wave behavior. Further, the average phase speed and density for each region are estimated and used to compute the spectra for energy density and energy flux. In addition, we assess the noise levels associated with the CoMP data, deriving analytic formulae for the uncertainty on Doppler velocity measurements and providing a comparison by estimating the noise from the data. It is found that the entire corona is replete with transverse wave behavior. The corresponding power spectra indicate that the observed velocity fluctuations are predominately generated by stochastic processes, with the spectral slope of the power varying between the different magnetic regions. Most strikingly, all power spectra reveal the presence of enhanced power occurring at ∼3 mHz, potentially implying that the excitation of coronal transverse waves by p -modes is a global phenomenon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Higher order matrix differential equations with singular coefficient matrices

In this article, the class of higher order linear matrix differential equations with constant coefficient matrices and stochastic process terms is studied. The coefficient of the highest order is considered to be singular; thus, rendering the response determination of such systems in a straightforward manner a difficult task. In this regard, the notion of the generalized inverse of a singular matrix is used for determining response statistics. Further, an application relevant to engineering dynamics problems is included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Summability of Connected Correlation Functions of Coupled Lattice Fields

We consider two nonindependent random fields ψ and ϕ defined on a countable set Z. For instance, Z=ℤ{sup d} or Z=ℤ{sup d}×I, where I denotes a finite set of possible “internal degrees of freedom” such as spin. We prove that, if the cumulants of ψ and ϕ enjoy a certain decay property, then all joint cumulants between ψ and ϕ are ℓ{sub 2}-summable in the precise sense described in the text. The decay assumption for the cumulants of ψ and ϕ is a restricted ℓ{sub 1} summability condition called ℓ{sub 1}-clustering property. One immediate application of the results is given by a stochastic process ψ{sub t}(x) whose state is ℓ{sub 1}-clustering at any time t: then the above estimates can be applied with ψ=ψ{sub t} and ϕ=ψ{sub 0} and we obtain uniform in t estimates for the summability of time-correlations of the field. The above clustering assumption is obviously satisfied by any ℓ{sub 1}-clustering stationary state of the process, and our original motivation for the control of the summability of time-correlations comes from a quest for a rigorous control of the Green–Kubo correlation function in such a system. A key role in the proof is played by the properties of non-Gaussian Wick polynomials and their connection to cumulants.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

On Weibull's Spectrum of Nonrelativistic Energetic Particles at IP Shocks: Observations and Theoretical Interpretation

Some interplanetary shocks are associated with short-term and sharp particle flux enhancements near the shock front. Such intensity enhancements, known as shock-spike events (SSEs), represent a class of relatively energetic phenomena as they may extend to energies of some tens of MeV or even beyond. Here we present an SSE case study in order to shed light on the nature of the particle acceleration involved in this kind of event. Our observations refer to an SSE registered on 2011 October 3 at 22:23 UT, by STEREO B instrumentation when, at a heliocentric distance of 1.08 au, the spacecraft was swept by a perpendicular shock moving away from the Sun. The main finding from the data analysis is that a Weibull distribution represents a good fitting function to the measured particle spectrum over the energy range from 0.1 to 30 MeV. To interpret such an observational result, we provide a theoretical derivation of the Weibull spectrum in the framework of the acceleration by “killed” stochastic processes exhibiting power-law growth in time of the velocity expectation, such as the classical Fermi process. We find an overall coherence between the experimental values of the Weibull spectrum parameters and their physical meaning within the above scenario. Hence, our approach based on the Weibull distribution proves to be useful for understanding SSEs. With regard to the present event, we also provide an alternative explanation of the Weibull spectrum in terms of shock-surfing acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Cauchy's formulas for random walks in bounded domains

Cauchy's formula was originally established for random straight paths crossing a body B⊂R{sup n} and basically relates the average chord length through B to the ratio between the volume and the surface of the body itself. The original statement was later extended in the context of transport theory so as to cover the stochastic paths of Pearson random walks with exponentially distributed flight lengths traversing a bounded domain. Some heuristic arguments suggest that Cauchy's formula may also hold true for Pearson random walks with arbitrarily distributed flight lengths. For such a broad class of stochastic processes, we rigorously derive a generalized Cauchy's formula for the average length traveled by the walkers in the body, and show that this quantity depends indeed only on the ratio between the volume and the surface, provided that some constraints are imposed on the entrance step of the walker in B. Similar results are also obtained for the average number of collisions performed by the walker in B.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Multiwavelength Variability Study of the Classical BL Lac Object PKS 0735+178 on Timescales Ranging from Decades to Minutes

We present the results of our power spectral analysis for the BL Lac object PKS 0735+178, utilizing the Fermi -LAT survey at high-energy γ -rays, several ground-based optical telescopes, and single-dish radio telescopes operating at GHz frequencies. The novelty of our approach is that, by combining long-term and densely sampled intra-night light curves in the optical regime, we were able to construct for the first time the optical power spectrum of the blazar for a time domain extending from 23 years down to minutes. Our analysis reveals that: (1) the optical variability is consistent with a pure red noise, for which the power spectral density can be well approximated by a single power law throughout the entire time domain probed; (2) the slope of power spectral density at high-energy γ -rays (∼1) is significantly flatter than that found at radio and optical frequencies (∼2) within the corresponding time variability range; (3) for the derived power spectra, we did not detect any low-frequency flattening, nor do we see any evidence for cutoffs at the highest frequencies down to the noise floor levels due to measurement uncertainties. We interpret our findings in terms of a model where the blazar variability is generated by the underlying single stochastic process (at radio and optical frequencies), or a linear superposition of such processes (in the γ -ray regime). Along with the detailed PSD analysis, we also present the results of our extended (1998–2015) intra-night optical monitoring program and newly acquired optical photo-polarimetric data for the source.

79 ASTRONOMY AND ASTROPHYSICS↗