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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 73 records · Page 4

Random walks on jammed networks: Spectral properties

Using random walk analyses we explore diffusive transport on networks obtained from contacts between isotropically compressed, monodisperse, frictionless sphere packings generated over a range of pressures in the vicinity of the jamming transition p → 0 . For conductive particles in an insulating medium, conduction is determined by the particle contact network with nodes representing particle centers and edges contacts between particles. The transition rate is not homogeneous, but is distributed inhomogeneously due to the randomness of packing and concomitant disorder of the contact network, e.g., the distribution of the coordination number. A narrow escape time scale is used to write a Markov process for random walks on the particle contact network. This stochastic process is analyzed in terms of spectral density of the random, sparse, Euclidean and real, symmetric, positive, semidefinite transition rate matrix. Findings reveal network structures derived from jammed particles have properties similar to ordered, euclidean lattices but also some unique properties that distinguish them from other structures that are in some sense more homogeneous. Specifically, the distribution of eigenvalues of the transition rate matrix follow a power law with spectral dimension 3. Yet, quantitative details of the statistics of the eigenvectors show subtle differences with homogeneous lattices and allow us to distinguish between topological and geometric sources of disorder in the network.

42 ENGINEERING↗

Modeling Stochastic Variability in Multiband Time-series Data

In preparation for the era of time-domain astronomy with upcoming large-scale surveys, we propose a state-space representation of a multivariate damped random walk process as a tool to analyze irregularly-spaced multifilter light curves with heteroscedastic measurement errors. We adopt a computationally efficient and scalable Kalman filtering approach to evaluate the likelihood function, leading to maximum O(k 3 n) complexity, where k is the number of available bands and n is the number of unique observation times across the k bands. This is a significant computational advantage over a commonly used univariate Gaussian process that can stack up all multiband light curves in one vector with maximum O(k 3 n 3 ) complexity. Using such efficient likelihood computation, we provide both maximum likelihood estimates and Bayesian posterior samples of the model parameters. Three numerical illustrations are presented: (i) analyzing simulated five-band light curves for a comparison with independent single-band fits; (ii) analyzing five-band light curves of a quasar obtained from the Sloan Digital Sky Survey Stripe 82 to estimate short-term variability and timescale; (iii) analyzing gravitationally lensed g- and r-band light curves of Q0957+561 to infer the time delay. Two R packages, Rdrw and timedelay, are publicly available to fit the proposed models.

79 ASTRONOMY AND ASTROPHYSICS↗

Detector Calibration to Quantify Random Summing in HPGe Spectroscopy

While calibrating a High Purity Germanium (HPGe) Radiation Detector for Xenon-133 (133Xe) the process of random summing occurs which leads to excess counts in the 160.6keV peak from random summing of the 81keV photons at the 162keV energy. Multiple samples of 133Xe with varying levels of radioactivity were assayed to determine a relationship between the occurrence of random summing and the net area of the 160.6keV peak. When the calculated efficiencies in the 160.6keV peak were compared to the theoretical efficiency obtained from a multi-energy calibration at 160.6keV, the amount of random summing could be estimated as excess observed efficiency and correlated to the sample activity. While a trend is apparent in the data, the mechanisms that contribute to the trend are still being studied so the data can be accurately correlated.

07 ISOTOPE AND RADIATION SOURCES↗

Occupation Time of a Randomly Accelerated Particle on the Positive Half Axis: Results for the First Five Moments

In the random acceleration process a point particle is accelerated by Gaussian white noise with zero mean. Although several fundamental statistical properties of the motion have been analyzed in detail, the statistics of occupation times is still not well understood. We consider the occupation or residence time T{sub +} on the positive x axis of a particle which is randomly accelerated on the unbounded x axis for a time t. The first two moments of T{sub +} were recently derived by Ouandji Boutcheng et al. (J Stat Mech 053213:1–10, 2016). With an alternate approach utilizing basis functions which have proved useful in other studies of randomly accelerated motion, results for the first five moments are obtained in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Scaling Limits and Generic Bounds for Exploration Processes

We consider exploration algorithms of the random sequential adsorption type both for homogeneous random graphs and random geometric graphs based on spatial Poisson processes. At each step, a vertex of the graph becomes active and its neighboring nodes become blocked. Given an initial number of vertices N growing to infinity, we study statistical properties of the proportion of explored (active or blocked) nodes in time using scaling limits. We obtain exact limits for homogeneous graphs and prove an explicit central limit theorem for the final proportion of active nodes, known as the jamming constant, through a diffusion approximation for the exploration process which can be described as a unidimensional process. We then focus on bounding the trajectories of such exploration processes on random geometric graphs, i.e., random sequential adsorption. As opposed to exploration processes on homogeneous random graphs, these do not allow for such a dimensional reduction. Instead we derive a fundamental relationship between the number of explored nodes and the discovered volume in the spatial process, and we obtain generic bounds for the fluid limit and jamming constant: bounds that are independent of the dimension of space and the detailed shape of the volume associated to the discovered node. Lastly, using coupling techinques, we give trajectorial interpretations of the generic bounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Road Network State Estimation Using Random Forest Ensemble Learning

Network-scale travel time prediction not only enables traffic management centers (TMC) to proactively implement traffic management strategies, but also allows travelers make informed decisions about route choices between various origins and destinations. In this paper, a random forest estimator was proposed to predict travel time in a network. The estimator was trained using two years of historical travel time data for a case study network in St. Louis, Missouri. Both temporal and spatial effects were considered in the modeling process. The random forest models predicted travel times accurately during both congested and uncongested traffic conditions. The computational times for the models were low, thus useful for real-time traffic management and traveler information applications.

30 DIRECT ENERGY CONVERSION↗

Chemomechanical weakening of muscovite quantified with in situ liquid nanoindentation

Abstract Chemomechanical weakening of layered phyllosilicate muscovite mica was studied as a function of chemical environment via in situ liquid-nanoindentation under four conditions (dry, deionized water, and two NaCl solutions of different pH). While traditional indentation analyses of layered materials with extreme mechanical anisotropy have been limited due to displacement bursts (pop-ins), here the bursts were used as proxies for delamination, fracture, and spalling events. Since displacement bursts during an indent represent a stochastic process, 120 indents were conducted for each condition to generate statistically significant amounts of data. In total, over 9000 bursts were assessed using a load–displacement threshold criterion, classifying this as a high-throughput nanoscale fracture technique. For each burst, initiation load, initiation displacement, plastic zone volume at initiation, and energy dissipation were analyzed. A power-law relationship between the burst load and burst energy was noted which separated the bursts into two continuous distributions: (1) bursts due only to the mechanics of the indent and (2) bursts due to both the mechanics of the indent and the environment. By using a cumulative probability distribution, it was found that the NaCl solutions decreased the minimum plastic zone volume necessary to initiate a displacement burst by an order of magnitude relative to the dry condition. Finally, the underlying mechanisms explaining the trends in initiation volume as a function of environment were discussed, with a focus on the chemomechanical degradation processes via chemical attack and cation exchange.

36 MATERIALS SCIENCE↗

Influence of Alternating Stress on the Life of Metal-Cutting Tools

Abstract—The failure of cutting tools is investigated. A generalized approach to describing failure is proposed, on the basis of the theory of random point processes. Two mechanisms by which the abrasive particles act on the tool’s cutting edge are considered. The corresponding dynamics of damage accumulation is described.

36 MATERIALS SCIENCE↗

Constant-Length Random Substitutions and Gibbs Measures

This work is devoted to the study of processes generated by random substitutions over a finite alphabet. We prove, under mild conditions on the substitution’s rule, the existence of a unique process which remains invariant under the substitution, and which exhibits a polynomial decay of correlations. For constant-length substitutions, we go further by proving that the invariant state is precisely a Gibbs measure which can be obtained as the projective limit of its natural Markovian approximations. We end up the paper by studying a class of substitutions whose invariant state is the unique Gibbs measure for a hierarchical two-body interaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

Scalable electronic predictions are critical for soft materials design. Recently, the Electronic Coarse-Graining (ECG) method was introduced to renormalize all-atom quantum chemical (QC) predictions to coarse-grained (CG) resolutions using deep neural networks (DNNs). While DNNs can learn complex representations that prove challenging for kernel-based methods, they are susceptible to overfitting and the overconfidence of uncertainty estimations. Here, we develop ECG within a GPU-accelerated Deep Kernel Learning (DKL) framework to enable CG QC predictions using range-separated hybrid density functional theory (DFT), obtaining a 107 speedup relative to naive all-atom QC. By treating the predicted electronic properties as random Gaussian Processes, DKL incorporates CG mapping degeneracy by learning the distribution of electronic energies as a function of CG configuration. DKL-ECG accurately reproduces molecular orbital energies from range-separated DFT while facilitating efficient training via active learning using the uncertainties provided by DKL. Further, we show that while active learning algorithms enable efficient sampling of a more diverse configurational space relative to random sampling, all explored query methods exhibit comparable performance for the examined system. We attribute this result to the significant overlap of the feature space and output property distributions across multiple temperatures.

97 MATHEMATICS AND COMPUTING↗

Cyclotomic Shuffles

Analogues of 1-shuffle elements for complex reflection groups of type G(m,1,n) are introduced. A geometric interpretation for G(m,1,n) in terms of rotational permutations of polygonal cards is given. We compute the eigenvalues, and their multiplicities, of the 1-shuffle element in the algebra of the group G(m,1,n). Considering shuffling as a random walk on the group G(m,1,n), we estimate the rate of convergence to randomness of the corresponding Markov chain. We report on the spectrum of the 1-shuffle analogue in the cyclotomic Hecke algebra H(m,1,n) for m=2 and small n.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Universality for 1d Random Band Matrices: Sigma-Model Approximation

The paper continues the development of the rigorous supersymmetric transfer matrix approach to the random band matrices started in (J Stat Phys 164:1233–1260, 2016; Commun Math Phys 351:1009–1044, 2017). We consider random Hermitian block band matrices consisting of W×W random Gaussian blocks (parametrized by j,k∈Λ=[1,n]{sup d}∩ℤ{sup d}) with a fixed entry’s variance J{sub jk}=δ{sub j,k}W{sup −1}+βΔ{sub j,k}W{sup −2}, β>0 in each block. Taking the limit W→∞ with fixed n and β, we derive the sigma-model approximation of the second correlation function similar to Efetov’s one. Then, considering the limit β,n→∞, we prove that in the dimension d=1 the behaviour of the sigma-model approximation in the bulk of the spectrum, as β≫n, is determined by the classical Wigner–Dyson statistics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evaluation of Seismic Artificial Intelligence with Uncertainty

Artificial intelligence has transformed the seismic community with deep learning models (DLMs) that are trained to complete specific tasks within workflows. However, there is still a lack of robust evaluation frameworks for evaluating and comparing DLMs. Here, we address this gap by designing an evaluation framework that jointly incorporates two crucial aspects: performance uncertainty and learning efficiency. To target these aspects, we meticulously construct the training, validation, and test splits using a clustering method tailored to seismic data and enact an expansive training design to segregate performance uncertainty arising from stochastic training processes and random data sampling. The framework’s ability to guard against misleading declarations of model superiority is demonstrated through the evaluation of PhaseNet (Zhu and Beroza, 2018), a popular seismic phase picking DLM, under three training approaches. Our framework helps practitioners choose the best model for their problem and set performance expectations by explicitly analyzing model performance with uncertainty at varying budgets of training data.

58 GEOSCIENCES↗

Controlled Formation of Conduction Channels in Memristive Devices Observed by X–ray Multimodal Imaging

Neuromorphic computing provides a means for achieving faster and more energy efficient computations than conventional digital computers for artificial intelligence (AI). However, its current accuracy is generally less than the dominant software-based AI. The key to improving accuracy is to reduce the intrinsic randomness of memristive devices, emulating synapses in the brain for neuromorphic computing. Here using a planar device as a model system, the controlled formation of conduction channels is achieved with high oxygen vacancy concentrations through the design of sharp protrusions in the electrode gap, as observed by X-ray multimodal imaging of both oxygen stoichiometry and crystallinity. Classical molecular dynamics simulations confirm that the controlled formation of conduction channels arises from confinement of the electric field, yielding a reproducible spatial distribution of oxygen vacancies across switching cycles. Furthermore, this work demonstrates an effective route to control the otherwise random electroforming process by electrode design, facilitating the development of more accurate memristive devices for neuromorphic computing.

36 MATERIALS SCIENCE↗

Holographic Kolmogorov-Sinai entropy and the quantum Lyapunov spectrum

In classical chaotic systems the entropy, averaged over initial phase space distributions, follows a universal behavior. While approaching thermal equilibrium it passes through a stage where it grows linearly, while the growth rate, the Kolmogorov-Sinai entropy (rate), is given by the sum over all positive Lyapunov exponents. A natural question is whether a similar relation is valid for quantum systems. We argue that the Maldacena-Shenker-Stanford bound on quantum Lyapunov exponents implies that the upper bound on the growth rate of the entropy, averaged over states in Hilbert space that evolve towards a thermal state with temperature T, should be given by πT times the thermal state’s von Neumann entropy. Strongly coupled, large N theories with black hole duals should saturate the bound. To test this we study a large number of isotropization processes of random, spatially homogeneous, far from equilibrium initial states in large N, $\mathcal{N}$ = 4 Super Yang Mills theory at strong coupling and compute the ensemble averaged growth rate of the dual black hole’s apparent horizon area. We find both an analogous behavior as in classical chaotic systems and numerical evidence that the conjectured bound on averaged entropy growth is saturated granted that the Lyapunov exponents are degenerate and given by λ i = ±2πT. This fits to the behavior of classical systems with plus/minus symmetric Lyapunov spectra, a symmetry which implies the validity of Liouville’s theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Computational Information Criterion for Particle-Tracking with Sparse or Noisy Data

Traditional probabilistic methods for the simulation of advection-diffusion equations (ADEs) often overlook the entropic contribution of the discretization, e.g., the number of particles, within associated numerical methods. Many times, the gain in accuracy of a highly discretized numerical model is outweighed by its associated computational costs or the noise within the data. Herein, we address the question of how many particles are needed in a simulation to best approximate and estimate parameters in one-dimensional advective-diffusive transport. To do so, we use the well-known Akaike Information Criterion (AIC) and a recently-developed correction called the Computational Information Criterion (COMIC) to guide the model selection process. Random-walk and mass-transfer particle tracking methods are employed to solve the model equations at various levels of discretization. Numerical results demonstrate that the COMIC provides an optimal number of particles that can describe a more efficient model in terms of parameter estimation and model prediction compared to the model selected by the AIC even when the data is sparse or noisy, the sampling volume is not uniform throughout the physical domain, or the error distribution of the data is non-IID Gaussian.

97 MATHEMATICS AND COMPUTING↗