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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Investigation of the dynamics of a nonlinear optical response in glassy chalcogenide semiconductors by the pump – probe method

An analysis of the results of measurements by using the pump – probe method with a femtosecond resolution in time and computer simulation of the charge carrier kinetics have revealed two types of a nonlinear optical response in samples of chalcogenide glasses belonging to the As – S – Se system, irradiated by 50-fs laser pulses with a wavelength of 0.79 μm. The difference in the nonlinear dynamics is due to the difference in the photoexcitation character, because laser radiation can be absorbed either through bound states in the band gap or without their participation, depending on the ratio of the pump photon energy to the bandgap energy. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Identifying a forward-scattering superconductor through pump-probe spectroscopy

Electron-boson scattering that is peaked in the forward direction has been suggested as an essential ingredient for enhanced superconductivity observed in FeSe monolayers. Here, we study the superconducting state of a system dominated by forward scattering in the time domain and contrast its behavior against the standard isotropic BCS case for both s- and d-wave symmetries. An analysis of the electron's dynamics in the pump-driven non-equilibrium state reveals that the superconducting order in the forward-focused case is robust and persistent against the pump-induced perturbations. The superconducting order parameter also exhibits a non-uniform melting in momentum space. We show that this behavior is in sharp contrast to the isotropic interaction case and propose that time-resolved approaches are a potentially powerful tool to differentiate the nature of the dominant coupling in correlated materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Operational and Strategic Implementation of Dynamic Line Rating for Optimized Wind Energy Generation Integration

One primary goal of rendering today’s transmission grid “smarter” is to optimize and better manage its power transfer capacity in real time. Power transfer capacity is affected by three main elements: stability, voltage limits, and thermal ratings. All three are critical, but thermal ratings represent the greatest opportunity to quickly, reliably and economically utilize the grid’s true capacity. With the “Smarter Grid”, new solutions have been sought to give operators a better grasp on real time conditions, allowing them to manage and extend the usefulness of existing transmission infrastructure in a safe and reliable manner. The objective of the INL Wind Program is to provide industry a Dynamic Line Rating (DLR) solution that is state of the art as measured by cost, accuracy and dependability, to enable human operators to make informed decisions and take appropriate actions without human or system overloading and impacting the reliability of the grid. In addition to mitigating transmission line congestion to better integrate wind, DLR also offers the opportunity to improve the grid with optimized utilization of transmission lines to relieve congestion in general. As wind-generated energy has become a bigger part of the nation’s energy portfolio, researchers have learned that wind not only turns turbine blades to generate electricity, but can cool transmission lines and increase transfer capabilities significantly, sometimes up to 60 percent. INL’s DLR development supports EERE and The Wind Energy Technology Office’s goals by informing system planners and grid operators of available transmission capacity, beyond typical Static Line Ratings (SLR). SLRs are based on a fixed set of conservative environmental conditions to establish a limit on the amount of current lines can safely carry without overheating. Using commercially available weather monitors mounted on industry informed custom brackets developed by INL in combination with Computational Fluid Dynamics (CFD) enhanced weather analysis and DLR software, INL’s project offers the potential of safely providing line ampacities up to 40 percent or more above existing SLRs, by using real time information rather than overly conservative SLR.

17 WIND ENERGY↗
DOE OSTI2022

MemGaze: Rapid and Effective Load-Level Memory Trace Analysis

A major challenge of memory analysis tools is combining high-resolution analysis and low overhead measurement. Currently, hardware/software-based analysis of load-level sequences incurs time slowdowns of O(100×). We present MemGaze, a tool for low-overhead, high-resolution memory analysis. MemGaze uses Intel’s Processor Tracing (PT) instruction ptwrite to collect sampled and compressed memory address traces for load-level, sequence-aware analysis of data reuse. We describe multi-resolution analysis for locations vs. operations, accesses vs. spatio-temporal reuse, and reuse (distance, rate, volume) vs. access patterns. Both trace size and resolution are controllable. We use MemGaze to elucidate the memory effects of different data structures and algorithms. For sampled traces that are ˜1% of a full one, analysis metrics have 1-25% MAPE for histograms of varying dynamic sequence lengths. With current suboptimal kernel support (PT runs continuously), MemGaze’s time overhead is typically 10–95%; 7× at worst. However, when PT runs only during samples, overhead is 10–35% on memory intensive regions and correlates with executed ptwrites.

Kilic, Ozgur O.↗
DOE OSTI2021

Transportation Energy Analytics Dashboard (TEAD)

The investment decisions within the nation’s transportation sector have traditionally been prioritized and measured against safety and travel efficiency goals. Increasingly, federal, state, and local policies are requiring consideration of energy use and emissions in the design of our transportation infrastructure. Yet the processes, analytics, and knowledge to include these new metrics into transportation decisions are lacking. Although targeted studies and before and after analysis are performed from time to time, no comprehensive real-time monitoring systems provide energy and emissions to the same level as congestion and safety. To address this gap, the Center for Advanced Transportation Technology (CATT Lab) and the Maryland Transportation Institute (MTI) at the University of Maryland (UMD), in partnership with the National Renewable Energy Laboratory (NREL), have developed a Transportation Energy Analytics Dashboard, or TEAD, to raise awareness of the energy and emission impacts to the same level of observability as that of safety and mobility concerns. The overall goal of this project was to develop and demonstrate an online tool to monitor transportation energy use and emissions in real-time and to archive this data for retrospective analysis. By combining surface transportation energy and emissions evaluation capability with more traditional safety, mobility and reliability system evaluation, our goal is for TEAD to create a dynamic new paradigm in transportation systems management and performance analyses, for both real-time traffic operations, and longer-term planning for project and program investment decision-making.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

NEW SUNS IN THE COSMOS. III. MULTIFRACTAL SIGNATURE ANALYSIS

In the present paper, we investigate the multifractality signatures in hourly time series extracted from the CoRoT spacecraft database. Our analysis is intended to highlight the possibility that astrophysical time series can be members of a particular class of complex and dynamic processes, which require several photometric variability diagnostics to characterize their structural and topological properties. To achieve this goal, we search for contributions due to a nonlinear temporal correlation and effects caused by heavier tails than the Gaussian distribution, using a detrending moving average algorithm for one-dimensional multifractal signals (MFDMA). We observe that the correlation structure is the main source of multifractality, while heavy-tailed distribution plays a minor role in generating the multifractal effects. Our work also reveals that the rotation period of stars is inherently scaled by the degree of multifractality. As a result, analyzing the multifractal degree of the referred series, we uncover an evolution of multifractality from shorter to larger periods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Separating grain-boundary and bulk recombination with time-resolved photoluminescence microscopy

Two-photon excitation (2PE) microscopy allows contactless and non-destructive cross-sectional analysis of grain-boundary (GB) and grain-interior (GI) properties in polycrystalline solar cells, with measurements of doping uniformity, space-charge field distribution, and carrier dynamics in different regions of the device. Using 2PE time-resolved microscopy, we analyzed charge-carrier lifetimes near the GBs and in the GI of polycrystalline thin-film CdTe solar cells doped with As. When the grain radius is larger than the minority-carrier diffusion length, GI lifetimes are interpreted as the bulk lifetimes ..tau..B, and GB recombination velocity SGB is extracted by comparing recombination rates in the GI and near GBs. In As-doped CdTe solar cells, we find ..tau..B = 1.0-2.4 ns and S GB = (1-4) x 10 5 cm/s. The results imply the potential to improve solar cell voltage via GB passivation and reduced recombination center concentration in the GI.

14 SOLAR ENERGY↗
DOE OSTI2021

Nonlinear Interface Reduction for Time-Domain Analysis of Hurty/Craig-Bampton Superelements with Frictional Contact

Virtual prototyping in engineering design relies today on modern numerical models of contacting structures with accurate resolution of interface mechanics, which strongly affect the system-level stiffness and energy dissipation due to frictional losses. High-fidelity modeling within the localized interfaces is required to resolve local quantities of interest that may drive design decisions. The high-resolution finite element meshes necessary to resolve inter-component stresses tend to be computationally expensive, particularly when the analyst is interested in response time histories. The Hurty/Craig-Bampton (HCB) transformation is a widely used method in structural dynamics for reducing the interior portion of a finite element model while having the ability to retain all nonlinear contact degrees of freedom (DOF) in physical coordinates. These models may still require many DOF to adequately resolve the kinematics of the interface, leading to inadequate reduction and computational savings. This study proposes a novel interface reduction method to overcome these challenges by means of system-level characteristic constraint (SCC) modes and properly orthogonal interface modal derivatives (POIMDs) for transient dynamic analyses. Both SCC modes and POIMDs are computed using the reduced HCB mass and stiffness matrices, which can be directly computed from many commercial finite element analysis software. Comparison of time history responses to an impulse-type load in a mechanical beam assembly indicate that the interface-reduced model correlates well with the HCB truth model. Localized features like slip and contact area are well-represented in the time domain when the beam assembly is loaded with a broadband excitation. The proposed method also yields reduced-order models with greater critical timestep lengths for explicit integration schemes.

42 ENGINEERING↗
DOE OSTI2019

Extracting the Dynamic Magnetic Contrast in Time-Resolved X-Ray Transmission Microscopy

Using a time-resolved detection scheme in scanning transmission X-ray microscopy (STXM), we measured element resolved ferromagnetic resonance (FMR) at microwave frequencies up to 10 GHz and a spatial resolution down to 20 nm at two different synchrotrons. We present different methods to separate the contribution of the background from the dynamic magnetic contrast based on the X-ray magnetic circular dichroism (XMCD) effect. The relative phase between the GHz microwave excitation and the X-ray pulses generated by the synchrotron, as well as the opening angle of the precession at FMR can be quantified. A detailed analysis for homogeneous and inhomogeneous magnetic excitations demonstrates that the dynamic contrast indeed behaves as the usual XMCD effect. The dynamic magnetic contrast in time-resolved STXM has the potential be a powerful tool to study the linear and nonlinear, magnetic excitations in magnetic micro- and nano-structures with unique spatial-temporal resolution in combination with element selectivity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nonlinear wavepacket dynamics in proximity to a stationary inflection point

A stationary inflection point (SIP) in the Bloch dispersion relation of a periodic waveguide is an exceptional point degeneracy where three Bloch eigenmodes coalesce, forming the so-called frozen mode with a divergent amplitude and vanishing group velocity of its propagating component. For this work, we have developed a theoretical framework to study the time evolution of wavepackets centered at an SIP. Analysis of the evolution of the statistical moment distribution of linear pulses shows a strong deviation from the conventional ballistic wavepacket dynamics in dispersive media. The presence of nonlinear interactions dramatically changes the situation, resulting in a mostly ballistic propagation of nonlinear wavepackets with the speed and even the direction of propagation essentially dependent on the wavepacket amplitude. Such a behavior is unique to nonlinear wavepackets centered at an SIP and can be used for the realization of a novel family of beam power routers for classical waves.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dynamic Modeling and Characterization of Nuclear-grade Graphite

Idaho National Labs serves as the spearhead for many innovative energy solutions to the world's energy crisis. One such solution is the INL's Microreactor which is designed to deploy to extreme/remote environments where other sources of power are either unavailable or unreliable. In order to best design these energy solutions for their operational environments, it is crucial to understand how the design, components, and materials will respond to the environmental conditions. One key material in these innovative designs is a nuclear-grade graphite known as PCEA. This study examines the behavior of PCEA graphite under dynamic loading, similar to that which may occur in extreme environments. The objective is to characterize the dynamic behavior and produce an accurate, reliable constitutive model suitable for use in simulation tools such as INL's MOOSE. Graphite specimens were tested using a Split Hopkinson Pressure Bar (SHPB) to administer the dynamic compressive load. The SHPB was charged at various pressures to produce a range of strain rates on the material in compression. Data was acquired via strain gauges on the SHPB setup, from which stress, strain, and time data were collected. Analysis revealed the stress-strain behavior of the material as well as insights into the material behavior's relationship to strain rate. Further work must continue to characterize the various other dynamic behaviors of the material which will combine to create a substantially trustworthy constitutive model for this grade of nuclear-grade graphite. Ultimately, this will allow for realistic simulation of the material in reactor designs, allowing for prediction of design weaknesses and leading to improved designs for increased resilience, security, and reliability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Theoretical Prediction and Analysis of the UV/Visible Absorption and Emission Spectra of Chiral Carbon Nanorings

In this study, UV/vis absorption and emission spectra of recently synthesized chiral carbon nanorings were simulated using first-principles-based molecular dynamics and time-dependent density functional theory (TD-DFT). The chiral carbon nanorings are derivatives of the [n]cycloparaphenylene ([n]CPP) macrocycles, containing an acene unit such as naphthalene, ([n]CPPN), anthracene ([n]CPPA), and tetracene ([n]CPPT), in addition to n paraphenylene units. In order to study the effect of increasing molecular size on absorption and emission spectra, we investigated the cases where n = 6 and 8. Frontier molecular orbital analysis was carried out to give insight into the degree of excitation delocalization and its relationship to the predicted absorption spectra. The lowest excited singlet state S 1 corresponds to a HOMO–LUMO π–π* transition, which is allowed in all chiral carbon nanorings due to lack of molecular symmetry, in contrast to the forbidden HOMO–LUMO transition in the symmetric [n]CPP molecules. The S 1 absorption peak exhibits a blue-shift with increasing number of paraphenylene units in particular for [n]CPPN and [n]CPPA and less so in the case of [n]CPPT. In the case of CPPN and CPPA, the transition density is mainly localized over a semicircle of the macrocycle with the acene unit in its center but is strongly localized on the tetracene unit in the case of CPPT. Molecular dynamics simulations performed on the excited state potential energy surfaces reveal red-shifted emission of these chiral carbon nanorings when the size of the π-conjugated acene units is increased, although the characteristic [n]CPP blue-shift with increasing paraphenylene unit number n remains apparent. Finally, the anomalous emission blue-shift is caused by the excited state bending and torsional motions that stabilize the π HOMO and destabilize the π* LUMO, resulting in an increasing HOMO–LUMO gap.

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

Dynamic structural views in solar energy materials by femtosecond electron diffraction

Solar materials convert light into other forms of energy through excited state processes occurring on ultrafast time and atomic length scales. Understanding and controlling such nonequilibrium processes is essential for applications ranging from photovoltaics to photocatalysis. These processes are commonly studied by transient optical techniques, which resolve charge carrier dynamics. However, optical spectroscopy does not directly probe the atomic-scale motions that play a central role in the ultimate functionality of these materials. Filling this missing gap, ultrafast electron and x-ray scattering techniques enable monitoring of structural dynamics in materials with femtosecond time resolution. In this work, we focus on the use of ultrafast electron diffraction (UED) techniques to probe photoinduced energy conversion dynamics in solar energy materials. First, we discuss the use of UED as an ultrafast lattice thermometer allowing a direct probe of nonradiative relaxations such as hot carrier cooling and Auger recombination. Second, we present a time-resolved atomic pair distribution function analysis enabled by UED, which uncovers lattice deformations arising from excitation localization in materials. Finally, we provide an outlook looking toward new approaches for resolving in situ energy conversion dynamics and uncovering structure–property relationships in solar energy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Differentiable Hydrology Approach for Modeling With Time-Varying Parameters

In the analysis of observational data with mathematical models, it is often desirable to let one or more model parameters vary with time to account for changing environmental conditions or to offer more flexibility. A standard approach for dynamic models is to allow for the number of parameters to grow as a function of time, leading to a high-dimensional inference problem for long data records. We propose using Hamiltonian Monte Carlo, a gradient-based Markov chain Monte Carlo (MCMC) method, to perform Bayesian inference for time-varying parameters (TVP) in hydrology models. As derivatives of model error functions with regard to parameters are not available in closed form, we implemented the GR4J rainfall-runoff models in Theano/PyMC3, and Jax/NumPyro, allowing for the application of automatic differentiation techniques. A simulation experiment assessing the viability of these methods for recovering underlying temporal variation in parameters indicates that a discrete Gaussian random walk-based prior appears to be best suited across a range of scenarios while the continuous-time Gaussian process compares relatively poorly. In an analysis of 20 years of daily real-world streamflow records from the Model Parameter Estimation Experiment (MOPEX) hydrology data set with increasing data sparsity and at multiple temporal resolutions, we find that TVP inference with gradient-based MCMC is a flexible and reliable approach for analyzing hydrology models with dynamic parameter sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical example of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.

42 ENGINEERING↗
DOE OSTI2023

Stopping to reflect: Asymptotic static moving mirrors as quantum analogs of classical radiation

Radiation from an accelerating charge is a basic process that can serve as an intersection between classical and quantum physics. We present two exactly soluble electron trajectories that permit analysis of the radiation emitted, exploring its time evolution and spectrum by analogy with the moving mirror model of the dynamic Casimir effect. These classical solutions are finite energy, rectilinear (nonperiodic), asymptotically zero velocity worldlines with corresponding quantum analog beta Bogolyubov coefficients. One of them has an interesting connection to uniform acceleration and Leonardo da Vinci's water pitcher experiment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation

Abstract Nonequilibrium dynamics governed by electron–phonon ( e -ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport equation (rt-BTE) with collision processes computed from first principles can describe the coupled dynamics of electrons and atomic vibrations (phonons). Yet, a bottleneck of these simulations is the calculation of e –ph scattering integrals on dense momentum grids at each time step. Here we show a data-driven approach based on dynamic mode decomposition (DMD) that can accelerate the time propagation of the rt-BTE and identify dominant electronic processes. We apply this approach to two case studies, high-field charge transport and ultrafast excited electron relaxation. In both cases, simulating only a short time window of ~10% of the dynamics suffices to predict the dynamics from initial excitation to steady state using DMD extrapolation. Analysis of the momentum-space modes extracted from DMD sheds light on the microscopic mechanisms governing electron relaxation to a steady state or equilibrium. The combination of accuracy and efficiency makes our DMD-based method a valuable tool for investigating ultrafast dynamics in a wide range of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Resilience Analysis of DC Microgrids under Denial of Service Threats

This paper develops a resilience analysis framework to study the fault ride-through capability of direct current (DC) microgrids in unknown denial of service (DoS) cyber incidents. DoS can be a frequent threat to DC microgrids with advanced controllers that hinge on active information exchanges: it can paralyze data communications and cause control ineptness or even system instability. Furthermore, we show that temporal DoS incidents render the DC microgrid cyber-physical topology and parameters time-varying and cause them to jump between faulty conditions. As existing DC microgrid stability analysis results are primarily developed from time-invariant systems, they might not be valid for the DoS interrupted systems. In this paper, we seek to study whether a DC microgrid is resilient against time-varying unknown DoS incidents. The problem is formulated as a stability analysis problem for a system with randomly switching dynamics. Scalable conditions are developed to provide provable resilience guarantees. In addition, we exploit the special structure of the conditions to yield quantified resilience measure by convex optimization techniques. As a result, the measure can be used for the evaluation of the resilience of different DC microgrid design against DoS incidents. We demonstrate the effectiveness of the proposed work using simulation case studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗