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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Anomaly Identification of Synchronized Voltage Waveform for Situational Awareness of Low Inertia Systems

Inverter-based resources (IBRs) such as photovoltaics (PVs), wind turbines, and battery energy storage systems (BESSs) are widely deployed in low-carbon power systems. However, these resources typically do not provide the inertia needed for grid stability, resulting in a low-inertia power system. IBRs and lack of inertia have been known to cause anomalies such as waveform distortions and wideband oscillations in power systems due to the limited inertia level, leading to increased generation trips and load shedding. Here, to achieve effective anomaly identification, this paper proposes a synchro-waveform-based algorithm utilizing real-time synchronized voltage waveform measurements from waveform measurement units (WMUs). In the proposed method, different physical characteristics, as well as statistical features, are extracted from synchronized voltage waveform measurements to filter anomalies. Then, the anomaly identification approach based on the random forest is developed and deployed into the FNET/GridEye system considering trade-offs among accuracy, computational burden, and deployment cost. Moreover, four WMUs are specially designed and deployed on Kauai Island to receive instantaneous synchronized voltage waveform measurements. To verify the performance of the proposed algorithm, different experiments are carried out with collected field test data. The result demonstrates that the performance of the proposed synchro-waveform-based anomaly categorization algorithm can accurately identify anomalies 95.35% of the time, which has comparable performance among benchmarking algorithms.

Situational awareness↗
DOE OSTI2020

Roadmap on quantum light spectroscopy

Conventional spectroscopy uses classical light to detect matter properties through the variation of its response with frequencies or time delays. Quantum light opens up new avenues for spectroscopy by utilizing parameters of the quantum state of light as novel control knobs and through the variation of photon statistics by coupling to matter. This Roadmap article focuses on using quantum light as a powerful sensing and spectroscopic tool to reveal novel information about complex molecules that is not accessible by classical light. It aims at bridging the quantum optics and spectroscopy communities which normally have opposite goals: manipulating complex light states with simple matter e.g. qubits versus studying complex molecules with simple classical light, respectively. Here, articles cover advances in the generation and manipulation of state-of-the-art quantum light sources along with applications to sensing, spectroscopy, imaging and interferometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Solidarity of signal of measures for the liquid-gas phase transition in the statistical multifragmentation model

A systematic study of system size, N / Z asymmetry, and fragmenting volume effects as well as the Coulomb effect on experimental measures for the nuclear liquid-gas phase transition and the mechanism of phase transition are carried out in the framework of the statistical multifragmentation model (SMM). The measures examined here are the caloric curve, the specific heat capacity ( C v ), the multiplicity derivative (dM / dT), the moment parameters (M2 and γ2), the fluctuation of maximum fragment charge number (NVZ), the Fisher exponent (τ), and the Zipf's law parameter (ξ). A signal for the first-order phase transition for all the measures is observed. A stronger signal is observed in the system with smaller sizes or with more neutron rich or in smaller fragmenting volumes for the caloric curve, Cv, and dM/dT. The phase-transition temperatures are independent of the system size, N / Z asymmetry, fragmenting volume, and Coulomb force, which indicates these measures give a solid signal for the liquid-gas phase transition in SMM. On the other hand, the phase transition temperature and its behavior of the others slightly depend on the size, the N / Z asymmetry and the volume of the system. A negative heat capacity is observed for systems with A s ≥ 100 without the Coulomb force but disappears with the Coulomb. An instructive picture is given in the charge distributions for the observed first-order phase transition.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Thermodynamics of Restricted Boltzmann Machines and Related Learning Dynamics

We investigate the thermodynamic properties of a restricted Boltzmann machine (RBM), a simple energy-based generative model used in the context of unsupervised learning. Assuming the information content of this model to be mainly reflected by the spectral properties of its weight matrix W, we try to make a realistic analysis by averaging over an appropriate statistical ensemble of RBMs. First, a phase diagram is derived. Otherwise similar to that of the Sherrington–Kirkpatrick (SK) model with ferromagnetic couplings, the RBM’s phase diagram presents a ferromagnetic phase which may or may not be of compositional type depending on the kurtosis of the distribution of the components of the singular vectors of W. Subsequently, the learning dynamics of the RBM is studied in the thermodynamic limit. A “typical” learning trajectory is shown to solve an effective dynamical equation, based on the aforementioned ensemble average and explicitly involving order parameters obtained from the thermodynamic analysis. In particular, this let us show how the evolution of the dominant singular values of W, and thus of the unstable modes, is driven by the input data. At the beginning of the training, in which the RBM is found to operate in the linear regime, the unstable modes reflect the dominant covariance modes of the data. In the non-linear regime, instead, the selected modes interact and eventually impose a matching of the order parameters to their empirical counterparts estimated from the data. Finally, we illustrate our considerations by performing experiments on both artificial and real data, showing in particular how the RBM operates in the ferromagnetic compositional phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Degradation Modeling and Reliability Assessment of Capacitors

The degradation of capacitors under accelerated stress conditions occur in a monotonic and non-linear fashion. Several efforts have been made to model the degradation behavior of capacitor considering either physics-of-failure models or statistical models and subsequently estimate its reliability and lifetime parameters. But most of these models fail to reflect the physical properties of the degradation path, which varies according to several intrinsic and extrinsic factors. These factors introduce random and temporal uncertainty among the population of capacitors. The gamma stochastic process can model both type of uncertainties among the population of capacitors. In this paper, we model the capacitor degradation by non-homogeneous gamma stochastic process in which both the model parameters (shape and scale) are dependent on stress variables. The model parameters are estimated using the maximum likelihood estimation approach.

42 ENGINEERING↗
DOE OSTI2022

Modelling and computational improvements to the simulation of single vector-boson plus jet processes for the ATLAS experiment

This paper presents updated Monte Carlo configurations used to model the production of single electroweak vector bosons (W, Z/γ$^{∗}$) in association with jets in proton-proton collisions for the ATLAS experiment at the Large Hadron Collider. Improvements pertaining to the electroweak input scheme, parton-shower splitting kernels and scale-setting scheme are shown for multi-jet merged configurations accurate to next-to-leading order in the strong and electroweak couplings. The computational resources required for these set-ups are assessed, and approximations are introduced resulting in a factor three reduction of the per-event CPU time without affecting the physics modelling performance. Continuous statistical enhancement techniques are introduced by ATLAS in order to populate low cross-section regions of phase space and are shown to match or exceed the generated effective luminosity. This, together with the lower per-event CPU time, results in a 50% reduction in the required computing resources compared to a legacy set-up previously used by the ATLAS collaboration. The set-ups described in this paper will be used for future ATLAS analyses and lay the foundation for the next generation of Monte Carlo predictions for single vector-boson plus jets production.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Long-term single-column model intercomparison of diurnal cycle of precipitation over midlatitude and tropical land

General Circulation Models (GCMs) have for decades exhibited difficulties in modelling the diurnal cycle of precipitation (DCP). This issue can be related to inappropriate representation of the processes controlling sub-diurnal phenomena like convection. In this study, 11 single-column versions of GCMs are used to investigate the interactions between convection and environmental conditions, processes that control nocturnal convections, and the transition from shallow to deep convection on a diurnal time-scale. Long-term simulations are performed over two continental land sites: the Southern Great Plains (SGP) in the USA for 12 summer months from 2004 to 2015 and the Manacapuru site at the central Amazon (MAO) in Brazil for two full years from 2014 to 2015. The analysis is done on two regimes: afternoon convective regime and nocturnal precipitation regime. Most models produce afternoon precipitation too early, likely due to the missing transition of shallow-to-deep convection in these models. At SGP, the unified convection schemes better simulate the onset time of precipitation. At MAO, models produce the heating peak in a much lower level compared with observation, indicating too shallow convection in the models. For nocturnal precipitation, models that produce most of nocturnal precipitation all allow convection to be triggered above the boundary layer. This indicates the importance of model capability to detect elevated convection for simulating nocturnal precipitation. Sensitivity studies indicate that (a) nudging environmental variables towards observations has a minor impact on DCP, (b) unified treatment of shallow and deep convection and the capability to capture mid-level convection can help models better capture DCP, and (c) the interactions of the atmosphere with other components in the climate system (e.g. land) are also important for DCP simulations in coupled models. Finally, these results provide long-term statistical insights on which physical processes are essential in climate models to simulate DCP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Law of Approach to Saturation in Mn–Zn Ferrite Nanoparticles

In this paper, the law of approach to saturation (LAS) was applied to a series of Mn–Zn ferrite nanoparticles with compositional formula Mn{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} where x = 0, 0.1, 0.2, 0.3, 0.4 and 0.5 to study the dependence of magnetization, M, on the applied magnetic field, H. Using the statistical parameters, the field range was chosen. The dependence of magnetization on the applied field was studied based upon the output of the statistical parameters for the curve fitted using different forms of LAS, namely, M=M{sub s}[1−(a/H)−(b/(H{sup 2}))]+kH, M=M{sub s}[1−(a/H)−(b/(H{sup 2}))],M=M{sub s}[1−(b/(H{sup 2}))] and M=M{sub s}(1−(1/15)((H{sub A}{sup 2})/(H{sup (1/2)}(H{sup (3/2)}+H{sub R}{sup (3/2)}))))+kH. A critical examination on the output parameters resulted from fitting into different equations, indicates the dependency of magnetization on the applied field as a characteristic of the composition of Mn–Zn ferrites. The statistical parameters, along with physically meaningful fitted parameters, provide knowledge on dependency of magnetization of different compositions of Mn–Zn ferrites over different regions of applied field.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Equilibration and Diffusion for a Dynamical Lorentz Gas

We consider a model of a dynamical Lorentz gaz: a single particle is moving in ℝ{sup d} through an array of fixed and soft scatterers each possessing an internal degree of freedom coupled to the particle. Assuming the initial velocity is sufficiently high and modelling the parameters of the scatterers as random variables, we describe the evolution of the kinetic energy of the particle by a Markov chain for which each step corresponds to a collision. We show that the momentum distribution of the particle approaches a Maxwell–Boltzmann distribution with effective temperature T such that k{sub B}T corresponds to an average of the scatterers’ kinetic energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Quantitative Boltzmann–Gibbs Principles via Orthogonal Polynomial Duality

We study fluctuation fields of orthogonal polynomials in the context of particle systems with duality. We thereby obtain a systematic orthogonal decomposition of the fluctuation fields of local functions, where the order of every term can be quantified. This implies a quantitative generalization of the Boltzmann–Gibbs principle. In the context of independent random walkers, we complete this program, including also fluctuation fields in non-stationary context (local equilibrium). For other interacting particle systems with duality such as the symmetric exclusion process, similar results can be obtained, under precise conditions on the n particle dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A comment on the position dependent diffusion coefficient representation of structural heterogeneity

Experimental studies of the variation of the mean square displacement (MSD) of a particle in a confined colloid suspension that exhibits density variations on the scale length of the particle diameter are not in agreement with the prediction that the spatial variation in MSD should mimic the spatial variation in density. The predicted behavior is derived from the expectation that the MSD of a particle depends on the system density and the assumption that the force acting on a particle is a point function of position. The experimental data are obtained from studies of the MSDs of particles in narrow ribbon channels and between narrowly spaced parallel plates and from new data, reported herein, of the radial and azimuthal MSDs of a colloid particle in a dense colloid suspension confined to a small circular cavity. In each of these geometries, a dense colloid suspension exhibits pronounced density oscillations with spacing of a particle diameter. We remove the discrepancy between prediction and experiment using the Fisher-Methfessel interpretation of how local equilibrium in an inhomogeneous system is maintained to argue that the force acting on a particle is delocalized over a volume with radius equal to a particle diameter. Our interpretation has relevance to the relationship between the scale of inhomogeneity and the utility of translation of the particle MSD into a position dependent diffusion coefficient and to the use of a spatially dependent diffusion coefficient to describe mass transport in a heterogeneous system.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Voltage effects on the stability of Pd ensembles in Pd–Au/Au(111) surface alloys

The catalytic performance of multimetallic electrodes is often attributed to a beneficial combination of ligand, strain, and ensemble effects. Understanding the influence of the electrochemical environment on the stability of the alloy surface structure is thus a crucial component to the design of highly active and durable electrocatalysts. In this work, we study the effects of an applied voltage to electrocatalytic Pd–Au/Au(111) surface alloys in contact with a model continuum electrolyte. Using planewave density functional theory, two-dimensional cluster expansions are parameterized and used to simulate dilute Pd–Au surface alloys under electrochemical conditions via Metropolis Monte Carlo within an extended canonical ensemble. While Pd monomers are stable at all potentials considered, different extents of surface electrification are observed to promote the formation of Pd dimers and trimers, as well as clusters of Pd monomers. We find that the relative proportion of monomer, dimer, and trimer surface fractions is in good agreement with in situ scanning tunneling microscopy measurements. The further development and refinement of the approaches described herein may serve as a useful aid in the development of next-generation electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Theory of the effect of external stress on the activated dynamics and transport of dilute penetrants in supercooled liquids and glasses

We generalize the self-consistent cooperative hopping theory for a dilute spherical penetrant or tracer activated dynamics in dense metastable hard sphere fluids and glasses to address the effect of external stress, the consequences of which are systematically established as a function of matrix packing fraction and penetrant-to-matrix size ratio. All relaxation processes speed up under stress, but the difference between the penetrant and matrix hopping (alpha relaxation) times decreases significantly with stress corresponding to less time scale decoupling. A dynamic crossover occurs at a critical “slaving onset” stress beyond which the matrix activated hopping relaxation time controls the penetrant hopping time. This characteristic stress increases (decreases) exponentially with packing fraction (size ratio) and can be well below the absolute yield stress of the matrix. Below the slaving onset, the penetrant hopping time is predicted to vary exponentially with stress, differing from the power law dependence of the pure matrix alpha time due to system-specificity of the stress-induced changes in the penetrant local cage and elastic barriers. An exponential growth of the penetrant alpha relaxation time with size ratio under stress is predicted, and at a fixed matrix packing fraction, the exponential relation between penetrant hopping time and stress for different size ratios can be collapsed onto a master curve. Direct connections between the short- and long-time activated penetrant dynamics and between the penetrant (or matrix) alpha relaxation time and matrix thermodynamic dimensionless compressibility are also predicted. The presented results should be testable in future experiments and simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Water under hydrophobic confinement: entropy and diffusion

The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining wall relative to the bulk diffusion. We report a molecular dynamics simulation using a classical water model investigating the water diffusion near a non-interacting smooth confining wall, which is assumed to imitate a hydrophobic surface, revealing a pronounced diffusion enhancement within several water layers adjacent to the wall. We present evidence that the observed diffusion enhancement can be accounted for, with a quantitative accuracy, using the universal scaling law for liquid diffusion that relates the diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the diffusion in simple liquids, can successfully describe the diffusion in water. It is shown that the law can be used for the analysis of water dynamics under nanoscale hydrophobic confinement, which is currently a subject of intense research activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Collisional and collisionless shocks

Shock waves are one of the most common plasma phenomena. They play a significant role in astrophysical and magnetospheric environments, as well as in laboratory plasmas. The paper focuses on two issues that underline important similarities and dissimilarities between collisional and collisionless shocks. The two types of shocks are similar in that they can be formed by the overtaking mechanism. We demonstrate that geometrical structures appearing early in the process of shock formation from the generic smooth initial state are quite universal and similar in both cases. Characterization of these structures (dubbed here the “mussel-shell”) is presented. Alongside with these similarities, there exist also significant differences between the two types of shocks. The classical collisional shocks usually connect two well-defined equilibrium states (those before and after the shock transition). Each of these equilibrium states is characterized by the thermodynamic parameters of density, temperature, and pressure whose upstream and downstream values are related by the continuity of mass, momentum, and energy flux. In the collisionless plasmas, however, this description does not work: the final state can be any of the much broader class of states constrained only by the requirement of being stable with respect to collisionless plasma instabilities. To find a final state (which does not have to be Maxwellian) one now has to follow the evolution of the system through the whole transition, and a lot of universality is lost. In some situations even the separation of scales between the global flow and shock transition may be lost. Taken together, these phenomena reveal a fascinating interplay of hydrodynamics, statistical mechanics, and plasma physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Photo-z outlier self-calibration in weak lensing surveys

Calibrating photometric redshift errors in weak lensing surveys with external data is extremely challenging. In this work, we show that both Gaussian and outlier photo-z parameters can be self-calibrated from the data alone. This comes at no cost for the neutrino masses, curvature and dark energy equation of state w0, but with a 65% degradation when both w0 and wa are varied. We perform a realistic forecast for the Vera Rubin Observatory (VRO) Legacy Survey of Space and Time (LSST) 3× 2 analysis, combining cosmic shear, projected galaxy clustering and galaxy - galaxy lensing. We confirm the importance of marginalizing over photo-z outliers. We examine a subset of internal cross-correlations, dubbed "null correlations", which are usually ignored in 3× 2 analyses. Despite contributing only ~ 10% of the total signal-to-noise, these null correlations improve the constraints on photo-z parameters by up to an order of magnitude. Using the same galaxy sample as sources and lenses dramatically improves the photo-z uncertainties too. Together, these methods add robustness to any claim of detected new Physics, and reduce the statistical errors on cosmology by 15% and 10% respectively. Finally, including CMB lensing from an experiment like Simons Observatory or CMB-S4 improves the cosmological and photo-z posterior constraints by about 10%, and further improves the robustness to systematics. To give intuition on the Fisher forecasts, we examine in detail several toy models that explain the origin of the photo-z self-calibration. Our Fisher code LaSSI (Large-Scale Structure Information), which includes the effect of Gaussian and outlier photo-z, shear multiplicative bias, linear galaxy bias, and extensions to LCDM, is publicly available at \href{https://github.com/EmmanuelSchaan/LaSSI}{https://github.com/EmmanuelSchaan/LaSSI}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Energy calibration of germanium detectors for the Majorana Demonstrator

The Majorana Demonstrator was a search for neutrinoless double-beta decay (0νββ) in the 76 Ge isotope. It was staged at the 4850-foot level of the Sanford Underground Research Facility (SURF) in Lead, SD. The experiment consisted of 58 germanium detectors housed in a low background shield and was calibrated once per week by deploying a 228 Th line source for 1 to 2 hours. The energy scale calibration determination for the detector array was automated using custom analysis tools. We describe the offline procedure for calibration of the Demonstrator germanium detectors, including the simultaneous fitting of multiple spectral peaks, estimation of energy scale uncertainties, and the automation of the calibration procedure.

47 OTHER INSTRUMENTATION↗