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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 361 records · Page 20
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DOE OSTI2014

Summing over trajectories of stochastic dynamics with multiplicative noise

We demonstrate that previous path integral formulations for the general stochastic interpretation generate incomplete results exemplified by the geometric Brownian motion. We thus develop a novel path integral formulation for the overdamped Langevin equation with multiplicative noise. The present path integral leads to the corresponding Fokker-Planck equation, and naturally generates a normalized transition probability in examples. Our result solves the inconsistency of the previous path integral formulations for the general stochastic interpretation, and can have wide applications in chemical and physical stochastic processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Sanov and central limit theorems for output statistics of quantum Markov chains

In this paper, we consider the statistics of repeated measurements on the output of a quantum Markov chain. We establish a large deviations result analogous to Sanov’s theorem for the multi-site empirical measure associated to finite sequences of consecutive outcomes of a classical stochastic process. Our result relies on the construction of an extended quantum transition operator (which keeps track of previous outcomes) in terms of which we compute moment generating functions, and whose spectral radius is related to the large deviations rate function. As a corollary to this, we obtain a central limit theorem for the empirical measure. Such higher level statistics may be used to uncover critical behaviour such as dynamical phase transitions, which are not captured by lower level statistics such as the sample mean. As a step in this direction, we give an example of a finite system whose level-1 (empirical mean) rate function is independent of a model parameter while the level-2 (empirical measure) rate is not.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Extending the diffusion approximation to the boundary using an integrated diffusion model

The widely used diffusion approximation is inaccurate to describe the transport behaviors near surfaces and interfaces. To solve such stochastic processes, an integro-differential equation, such as the Boltzmann transport equation (BTE), is typically required. In this work, we show that it is possible to keep the simplicity of the diffusion approximation by introducing a nonlocal source term and a spatially varying diffusion coefficient. We apply the proposed integrated diffusion model (IDM) to a benchmark problem of heat conduction across a thin film to demonstrate its feasibility. We also validate the model when boundary reflections and uniform internal heat generation are present.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C{sub 7eq} → C{sub 7ax} transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Transitions in genetic toggle switches driven by dynamic disorder in rate coefficients

In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes with the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

An alternative realization of the exact non-Markovian stochastic Schrödinger equation

Based on the path integral approach, we derive a new realization of the exact non-Markovian stochastic Schrödinger equation (SSE). The main difference from the previous non-Markovian quantum state diffusion (NMQSD) method is that the complex Gaussian stochastic process used for the forward propagation of the wave function is correlated, which may be used to reduce the amplitude of the non-Markovian memory term at high temperatures. The new SSE is then written into the recently developed hierarchy of pure states scheme, in a form that is more closely related to the hierarchical equation of motion approach. Numerical simulations are then performed to demonstrate the efficiency of the new method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

How Hall electric fields intrinsically chaotize and heat ions during collisionless magnetic reconnection

The origin of extreme and anomalous ion heating during magnetic reconnection has been a longstanding mystery. It is shown in this paper that, at the core of the process, the stochastic heating mechanism is responsible for this energization. The in-plane Hall electric fields that intrinsically develop during collisionless reconnection not only accelerate ions, but also thermalize them by inducing chaotic motion. The mechanism explains various observed features of ion heating, e.g., its relation to the guide field strength and the ion mass-to-charge ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Deterministic scattering of relativistic electron beams by off-resonant circularly polarized electromagnetic waves

A mechanism is presented whereby relativistic electron beams localized in phase space are deterministically scattered by coherent circularly polarized electromagnetic waves without stochastic processes. It is shown via an exact single-particle analysis that the condition for maximal scattering is an off-resonant condition, contrary to previous kinetic analyses that predict maximal diffusion or interaction at exact resonance or its harmonics. The mechanism, verified by single-particle simulations, enables a fast, nonlinear redistribution of the beam particles. A possible application of this mechanism to runaway electron suppression is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Efficient computation of N -point correlation functions in D dimensions

We present efficient algorithms for computing the N-point correlation functions (NPCFs) of random fields in arbitrary D-dimensional homogeneous and isotropic spaces. Such statistics appear throughout the physical sciences and provide a natural tool to describe stochastic processes. Typically, algorithms for computing the NPCF components have $\mathscr O$(n N ) complexity (for a dataset containing n particles); their application is thus computationally infeasible unless N is small. By projecting the statistic onto a suitably defined angular basis, we show that the estimators can be written in a separable form, with complexity $\mathscr O$(n 2 ) or $\mathscr O$(n g log n g ) if evaluated using a Fast Fourier Transform on a grid of size n g . Our decomposition is built upon the D-dimensional hyperspherical harmonics; these form a complete basis on the (D – 1) sphere and are intrinsically related to angular momentum operators. Concatenation of (N – 1) such harmonics gives states of definite combined angular momentum, forming a natural separable basis for the NPCF. As N and D grow, the number of basis components quickly becomes large, providing a practical limitation to this (and all other) approaches: However, the dimensionality is greatly reduced in the presence of symmetries; for example, isotropic correlation functions require only states of zero combined angular momentum. We provide a Julia package implementing our estimators and show how they can be applied to a variety of scenarios within cosmology and fluid dynamics. The efficiency of such estimators will allow higher-order correlators to become a standard tool in the analysis of random fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A Fokker–Planck approach to a moment closure for mixing in variable-density turbulence

We develop a theory for the cascade mixing terms in a moment closure approach to binary active scalar mixing in variable-density turbulence. To address the variable-density complications we apply, as a principle and constraint, the conservation of the probability density function (PDF) through a Fokker–Planck equation with bounded sample space whose attractor is the beta PDF with skewness. Mixing is related to a single-point PDF as a realisability principle to provide mathematically rigorous expressions for the small scale statistics in terms of largescale moments. The problem of the unknown small-scale mixing is replaced with the determination of the drift and diffusion terms of a Fokker–Planck equation in a beta-PDF-convergent stochastic process. We find that realisability of a beta-convergent process requires the mixing time-scale ratio, taken as a constant in passive scalar mixing, to be a function of the mean mass fraction, mean fluid density, the Atwood number, the density-volume correlation and moments of the density field. We develop and compare the new model with direct numerical simulations data of non-stationary homogeneous variable-density turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

IMAGING OF THREE POSSIBLE LOW-REDSHIFT ANALOGS TO HIGH-REDSHIFT COMPACT RED GALAXIES

As part of a larger program to identify and characterize possible low-redshift analogs to massive compact red galaxies found at high redshift, we have examined the morphologies of three low-redshift compact galaxies drawn from the sample of Trujillo et al. Using deeper and higher resolution images, we have found faint and relatively extensive outer structures in addition to the compact cores identified in the earlier measurements. One object appears to have a small companion that may be involved in an ongoing minor merger of the sort that could be responsible for building up the outer parts of these galaxies. The ages of the dominant stellar populations in these objects are found to be around 2-4 Gyr, in good agreement with the previous estimates. The presence of diffuse outer structures in these galaxies indicates that truly compact and massive red galaxies are exceedingly rare at low redshift. The relatively young stellar populations suggest that the accretion of the extensive outer material must occur essentially universally on relatively short timescales of a few billion years or less. These results confirm and extend previous suggestions that the driving mechanism behind the size evolution of high-redshift compact galaxies cannot be highly stochastic processes such as major mergers, which would inevitably leave a non-negligible fraction of survivors at low redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Modeling of noise-assisted quantum transfer between donor and acceptor with finite bandwidths

We present an analytical and numerical study of noise-assisted quantum exciton (electron) transfer (ET) in a dimer consisting of donor and acceptor, modeled by interacting continuous electron bands of finite widths. We start with discrete energy levels for both bands. The interaction with the environment is modeled by a stationary stochastic process (noise) acting on all the donor and acceptor energy levels. Then, by using a continuous limit for the electron spectra, we derive integro-differential equations for the ET dynamics between the two bands. Finally, we derive from these equations rate-type differential equations for the ET dynamics. We formulate the conditions of validity of the rate-type equations. We consider different regions of parameters characterizing the widths of the donor and acceptor bands and the strength of the dimer-noise interaction. For a simplified model with a single energy level donor and a continuous acceptor band, we derive a generalized simple analytic expression and provide numerical simulations for the ET rate. They are consistent with Wigner–Weisskopf, Förster-type, and Marcus-type expressions, in their corresponding regime of parameters. For a weak dimer-noise interaction, our approach leads to the Wigner–Weisskopf ET rate, or to the Förster-type ET rate, depending on other parameters. In the limit of strong dimer-noise interaction, our approach is non-perturbative in the dimer-noise interaction constant, and it recovers the Marcus-type ET rate. Our analytic results are confirmed by numerical simulations. We demonstrate how our theoretical results are modified when both the donor and the acceptor are described by finite bands. We also show that, for a relatively wide acceptor band, the efficiency of the ET from donor to acceptor can be close to 100% for a broad range of noise amplitudes, for both 'downhill' and 'uphill' ET, for sharp and flat redox potentials, and for reasonably short times. We discuss possible applications of our approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An efficient method to propagate model uncertainty when inverting seismic data for time domain seismic moment tensors

SUMMARY We present a computationally efficient method to approximately propagate uncertainty when linearly inverting seismic data for point source, time variable moment tensor components. The method is based on the assumption that the data residual, given by the difference between the observed seismic data and the data predicated by a linear inversion, contains the effects of both data and model uncertainty. Our method uses a distribution of data residuals, added directly to the data, in a pseudo-Monte Carlo scheme. Using the assumption that the data residual is a stochastic process, we use the well-known Karhunen–Loève (KL) theorem to construct a distribution of data residuals, where the required basis functions are constructed using Fourier series. The Fourier series are scaled by a product of a random variable and the real-valued spectral amplitudes of the original data residual’s spectrum. Thus, the Fourier series and spectral amplitudes are eigenfunction-eigenvalue pairs used in the KL-based construction of data residual distribution. Using tests with synthetic data, we show that our method compares closely with a Finite Difference Monte Carlo (FDMC) method that we presented previously. More importantly, the method presented here is computationally several orders of magnitude faster than our previous FDMC method, and requires no a priori assumptions of model and/or data uncertainty.

Poppeliers, Christian (ORCID:0000000159526849)↗
DOE OSTI2019

The ASAS-SN catalogue of variable stars – IV. Periodic variables in the APOGEE survey

ABSTRACT We explore the synergy between photometric and spectroscopic surveys by searching for periodic variable stars among the targets observed by the Apache Point Observatory Galactic Evolution Experiment (APOGEE) using photometry from the All-Sky Automated Survey for Supernovae (ASAS-SN). We identified 1924 periodic variables among more than $258\, 000$ APOGEE targets; 465 are new discoveries. We homogeneously classified 430 eclipsing and ellipsoidal binaries, 139 classical pulsators (Cepheids, RR Lyrae, and δ Scuti), 719 long-period variables (pulsating red giants), and 636 rotational variables. The search was performed using both visual inspection and machine learning techniques. The light curves were also modelled with the damped random walk stochastic process. We find that the median [Fe/H] of variable objects is lower by 0.3 dex than that of the overall APOGEE sample. Eclipsing binaries and ellipsoidal variables are shifted to a lower median [Fe/H] by 0.2 dex. Eclipsing binaries and rotational variables exhibit significantly broader spectral lines than the rest of the sample. We make ASAS-SN light curves for all the APOGEE stars publicly available and provide parameters for the variable objects.

Pawlak, Michał↗
DOE OSTI2026

Monitored Fluctuating Hydrodynamics

We introduce a hydrodynamic framework for describing monitored classical stochastic processes. We study the conditional ensembles for these monitored processes—i.e., we compute spacetime correlation functions conditioned on a fixed, typical measurement record. In the presence of global symmetries we show that these conditional ensembles can undergo measurement-induced “sharpening” phase transitions as a function of the monitoring rate; moreover, even weak monitoring can give rise to novel critical phases, derived entirely from a classical perspective. We give a simple hydrodynamic derivation of the known “charge-fuzzy phase” for weakly monitored diffusive many-body quantum systems. We show that although the unmonitored symmetric and asymmetric exclusion processes are in different universality classes of transport, the fluctuations in their conditional ensembles flow to the same fixed point with emergent relativistic invariance under monitoring. On the other hand, weakly monitored systems with non-Abelian symmetries enter a novel strongly coupled fixed point with nontrivial dynamical exponent, which we characterize. Our formalism naturally accounts for monitoring general observables, such as currents or density gradients, and allows for a direct calculation of information-theoretic diagnostics of sharpening transitions, including the Shannon entropy of the measurement record.

classical statistical mechanics↗
DOE OSTI2022

Realistic simulations of spin squeezing and cooperative coupling effects in large ensembles of interacting two-level systems

We describe an efficient numerical method for simulating the dynamics of interacting spin ensembles in the presence of dephasing and decay. The method builds on the discrete truncated Wigner approximation for isolated systems, which combines the mean-field dynamics of a spin ensemble with a Monte Carlo sampling of discrete initial spin values to account for quantum correlations. Here we show how this approach can be generalized for dissipative spin systems by replacing the deterministic mean-field evolution by a stochastic process, which describes the decay of coherences and populations while preserving the length of each spin. We demonstrate the application of this technique for simulating nonclassical spin-squeezing effects or the dynamics and steady states of cavity QED models with 10 5 interacting two-level systems. This opens up the possibility to perform accurate real-scale simulations of a diverse range of experiments in quantum optics or with solid-state spin ensembles under realistic laboratory conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Measure for the non-Markovianity of quantum processes

Recently, a measure for the non-Markovian behavior of quantum processes in open systems has been developed, which is based on the quantification of the flow of information between the open system and its environment [Phys. Rev. Lett. 103, 210401 (2009)]. The information flow is connected to the rate of change of the trace distance between quantum states, which can be interpreted in terms of the distinguishability of these states. Here, we elaborate the mathematical details of this theory, present applications to specific physical models, and discuss further theoretical and experimental implications as well as relations to alternative approaches proposed recently.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Superdiffusive heat conduction in semiconductor alloys. II. Truncated Lévy formalism for experimental analysis

Nearly all experimental observations of quasiballistic heat flow are interpreted using Fourier theory with modified thermal conductivity. Detailed Boltzmann transport equation (BTE) analysis, yet, reveals that the quasi-ballistic motion of thermal energy in semiconductor alloys is no longer Brownian but instead exhibits Lévy dynamics with fractal dimension α < 2 . In this work, we present a framework that enables full three-dimensional experimental analysis by retaining all essential physics of the quasiballistic BTE dynamics phenomenologically. A stochastic process with just two fitting parameters describes the transition from pure Lévy superdiffusion as short length and time scales to regular Fourier diffusion. The model provides accurate fits to time domain thermoreflectance raw experimental data over the full modulation frequency range without requiring any “effective” thermal parameters and without any a priori knowledge of microscopic phonon scattering mechanisms. Identified α values for InGaAs and SiGe match ab initio BTE predictions within a few percent. Our results provide experimental evidence of fractal Lévy heat conduction in semiconductor alloys. The formalism additionally indicates that the transient temperature inside the material differs significantly from Fourier theory and can lead to improved thermal characterization of nanoscale devices and material interfaces.

36 MATERIALS SCIENCE↗