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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Variable Time-Step Implementation for Rapid Quasi-Static Time-Series (QSTS) Simulations of Distributed PV

Distribution system analysis with high penetrations of distributed PV require quasi-static time-series (QSTS) analysis to model the variability introduced on the distribution system, but current QSTS algorithms are prohibitively burdensome and computationally intensive. This paper proposes a variable timestep algorithm to calculate the critical time periods when QSTS simulations should be solved at higher or lower time-resolution and to backtrack for any critical periods that were missed. This variable time-step solver is a new method of performing timeseries simulations with high accuracy while performing the simulation more than 50 times faster. The scalability of the algorithm is demonstrated using a real utility distribution system model with thousands of buses.

14 SOLAR ENERGY↗
DOE OSTI2018

Quality Control Analysis in Real-time (QC-ART): A Tool for Real-time Quality Control Assessment of Mass Spectrometry-based Proteomics Data

Liquid chromatography-mass spectrometry (LC-MS)-based proteomics studies of large sample cohorts can easily require from months to years to complete. Acquiring consistent, high-quality data in such large-scale studies is challenging because of normal variations in instrumentation performance over time, as well as artifacts introduced by the samples themselves, such as those due to collection, storage and processing. Existing quality control methods for proteomics data primarily focus on post-hoc analysis to remove low-quality data that would degrade downstream statistics; they are not designed to evaluate the data in near real-time, which would allow for interventions as soon as deviations in data quality are detected. In addition to flagging analyses that demonstrate outlier behavior, evaluating how the data structure changes over time can aide in understanding typical instrument performance or identify issues such as a degradation in data quality due to the need for instrument cleaning and/or re-calibration. To address this gap for proteomics, we developed Quality Control Analysis in Real-Time (QC-ART), a tool for evaluating data as they are acquired in order to dynamically flag potential issues with instrument performance or sample quality. QC-ART has similar accuracy as standard post-hoc analysis methods with the additional benefit of real-time analysis. We demonstrate the utility and performance of QC-ART in identifying deviations in data quality due to both instrument and sample issues in near real-time for LC-MS-based plasma proteomics analyses of a sample subset of The Environmental Determinants of Diabetes in the Young cohort. We also present a case where QC-ART facilitated the identification of oxidative modifications, which are often underappreciated in proteomic experiments.

Stanfill, Bryan A.↗
DOE OSTI2024

Simple and General Unitarity Conserving Numerical Real-Time Propagators of the Time-Dependent Schrödinger Equation Based on Magnus Expansion

Magnus expansion (ME) provides a general way to expand the real-time propagator of a time-dependent Hamiltonian within the exponential such that the unitarity is satisfied at any order. Here, we use this property and explicit integration of Lagrange interpolation formulas for the time-dependent Hamiltonian within each time interval and derive approximations that preserve unitarity for the differential time evolution operators of general time-dependent Hamiltonians. The resulting second-order approximation is the same as using the average of Hamiltonians for two end points of time. We identify three fourth-order approximations involving commutators of Hamiltonians at different times and also derive a sixth-order expression. A test of these approximations along with other available expressions for a two-state time-dependent Hamiltonian with sinusoidal time dependences provides information on the relative performance of these approximations and suggests that the derived expressions can serve as useful numerical tools for time evolution in time-resolved spectroscopy, quantum control, quantum sensing, real-time ab initio quantum dynamics, and open system quantum dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics

The explicit real-time propagation approach for time-dependent density functional theory (RT-TDDFT) has increasingly become a popular first-principles computational method for modeling various time-dependent electronic properties of complex chemical systems. Here, in this Perspective, we provide a nontechnical discussion of how this first-principles simulation approach has been used to gain novel physical insights into nonequilibrium electron dynamics phenomena in recent years. Following a concise overview of the RT-TDDFT methodology from a practical standpoint, we discuss our recent studies on the electronic stopping of DNA in water and the Floquet topological phase as examples. Our discussion focuses on how RT-TDDFT simulations played a unique role in deriving new scientific understandings. We then discuss existing challenges and some new advances at the frontier of RT-TDDFT method development for studying increasingly complex dynamic phenomena and systems.

Hamiltonians↗
NASA NTRS1999

Phase Time and Envelope Time in Time-Distance Analysis and Acoustic Imaging

Time-distance analysis and acoustic imaging are two related techniques to probe the local properties of solar interior. In this study, we discuss the relation of phase time and envelope time between the two techniques. The location of the envelope peak of the cross correlation function in time-distance analysis is identified as the travel time of the wave packet formed by modes with the same w/l. The phase time of the cross correlation function provides information of the phase change accumulated along the wave path, including the phase change at the boundaries of the mode cavity. The acoustic signals constructed with the technique of acoustic imaging contain both phase and intensity information. The phase of constructed signals can be studied by computing the cross correlation function between time series constructed with ingoing and outgoing waves. In this study, we use the data taken with the Taiwan Oscillation Network (TON) instrument and the Michelson Doppler Imager (MDI) instrument. The analysis is carried out for the quiet Sun. We use the relation of envelope time versus distance measured in time-distance analyses to construct the acoustic signals in acoustic imaging analyses. The phase time of the cross correlation function of constructed ingoing and outgoing time series is twice the difference between the phase time and envelope time in time-distance analyses as predicted. The envelope peak of the cross correlation function between constructed ingoing and outgoing time series is located at zero time as predicted for results of one-bounce at 3 mHz for all four data sets and two-bounce at 3 mHz for two TON data sets. But it is different from zero for other cases. The cause of the deviation of the envelope peak from zero is not known.

Chou, Dean-Yi↗
DOE OSTI2020

Open-Source Framework for Data Storage and Visualization of Real-Time Experiments

Digital real time simulators (DRTS) are increasingly being used for the evaluation of power hardware and controller hardware in the laboratory prior to field deployment. Although DRTS are capable of simulating large models in real-time, it is challenging to visualize the results of large models without overdrawing or confounding the viewer. This paper provides an open-source framework for users to visualize their DRTS-based hardware-in-the-loop (HIL) experimental results in real-time. This proposed framework can be used by experimental test beds that can push data through an internet protocol based network. The proposed framework includes three main components. First, it includes the DRTS that generates and pushes the data to a relay. Second, it includes an application that serves multiple purposes, from data storage, testing, and translation of the data to a publisher/subscriber protocol. Finally, it includes libraries and applications that can be used to visualize the data by subscribing to the relay. This framework is available in open source, and it is tested using the HIL platform developed for testing advanced distribution management systems.

advanced distribution management systems↗
DOE OSTI2017

Conversion and Validation of Distribution System Model from a QSTS-Based Tool to a Real-Time Dynamic Phasor Simulator

A software process is developed to convert distribution network models from a quasi-static time-series tool (OpenDSS) to a real-time dynamic phasor simulator (ePHASORSIM). The description of this process in this paper would be helpful for researchers who intend to perform similar conversions. The converter could be utilized directly by users of real-time simulators who intend to perform software-in-the-loop or hardware-in-the-loop tests on large distribution test feeders for a range of use cases, including testing functions of advanced distribution management systems against a simulated distribution system. In the future, the developers intend to release the conversion tool as open source to enable use by others.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

ON THE EARLY-TIME EXCESS EMISSION IN HYDROGEN-POOR SUPERLUMINOUS SUPERNOVAE

We present the light curves of the hydrogen-poor superluminous supernovae (SLSNe I) PTF 12dam and iPTF 13dcc, discovered by the (intermediate) Palomar Transient Factory. Both show excess emission at early times and a slowly declining light curve at late times. The early bump in PTF 12dam is very similar in duration (∼10 days) and brightness relative to the main peak (2–3 mag fainter) compared to that observed in other SLSNe I. In contrast, the long-duration (>30 days) early excess emission in iPTF 13dcc, whose brightness competes with that of the main peak, appears to be of a different nature. We construct bolometric light curves for both targets, and fit a variety of light-curve models to both the early bump and main peak in an attempt to understand the nature of these explosions. Even though the slope of the late-time decline in the light curves of both SLSNe is suggestively close to that expected from the radioactive decay of {sup 56}Ni and {sup 56}Co, the amount of nickel required to power the full light curves is too large considering the estimated ejecta mass. The magnetar model including an increasing escape fraction provides a reasonable description of the PTF 12dam observations. However, neither the basic nor the double-peaked magnetar model is capable of reproducing the light curve of iPTF 13dcc. A model combining a shock breakout in an extended envelope with late-time magnetar energy injection provides a reasonable fit to the iPTF 13dcc observations. Finally, we find that the light curves of both PTF 12dam and iPTF 13dcc can be adequately fit with the model involving interaction with the circumstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

Time-Accurate Local Time Stepping and High-Order Time CESE Methods for Multi-Dimensional Flows Using Unstructured Meshes

With the wide availability of affordable multiple-core parallel supercomputers, next generation numerical simulations of flow physics are being focused on unsteady computations for problems involving multiple time scales and multiple physics. These simulations require higher solution accuracy than most algorithms and computational fluid dynamics codes currently available. This paper focuses on the developmental effort for high-fidelity multi-dimensional, unstructured-mesh flow solvers using the space-time conservation element, solution element (CESE) framework. Two approaches have been investigated in this research in order to provide high-accuracy, cross-cutting numerical simulations for a variety of flow regimes: 1) time-accurate local time stepping and 2) highorder CESE method. The first approach utilizes consistent numerical formulations in the space-time flux integration to preserve temporal conservation across the cells with different marching time steps. Such approach relieves the stringent time step constraint associated with the smallest time step in the computational domain while preserving temporal accuracy for all the cells. For flows involving multiple scales, both numerical accuracy and efficiency can be significantly enhanced. The second approach extends the current CESE solver to higher-order accuracy. Unlike other existing explicit high-order methods for unstructured meshes, the CESE framework maintains a CFL condition of one for arbitrarily high-order formulations while retaining the same compact stencil as its second-order counterpart. For large-scale unsteady computations, this feature substantially enhances numerical efficiency. Numerical formulations and validations using benchmark problems are discussed in this paper along with realistic examples.

Chang, Chau-Lyan↗
DOE OSTI2019

Asynchronous and Distributed Tracking of Time-Varying Fixed Points

NREL researcher Andrey Bernstein discusses asynchronous and distributed tracking of time-varying fixed points as part of the Innovative Optimization and Control Methods for Highly Distributed Autonomous Systems workshop. NREL hosted the workshop to exchange ideas on state-of-the-art control and optimization strategies as well as get feedback on work being done at NREL.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Transformation from proper time on earth to coordinate time in solar system barycentric space-time frame of reference. I. II

It is noted that in order to obtain accurate computed values of earth-based range and Doppler observables of a deep space probe, an expression is required for the difference between coordinate time (t) in the solar system barycentric space-time frame of reference and proper time (tau) recorded on a fixed atomic clock on earth. This is part 1 of a two-part article which obtains an expression for the coordinate time/proper time difference that can be used in deriving computed values of observations of a spacecraft or celestial body located anywhere in the solar system. The expression can also be used in computing Very Long Baseline Interferometry data types. In part 1, expression for the coordinate time/proper time difference is obtained that is a function of position and velocity vectors of the major celestial bodies of the solar system and the atomic clock on earth which reads proper time. This expression is transformed in part 2 to a function of time and the earth-fixed coordinates of the atomic clock.

Moyer, T. D.↗
NASA NTRS1991

Noninertial coordinate time: A new concept affecting time standards, time transfers, and clock synchronization

Relativity compensations must be made in precise and accurate measurements whenever an observer is accelerated. Although many believe the Earth-centered frame is sufficiently inertial, accelerations of the Earth, as evidenced by the tides, prove that it is technically a noninertial system for even an Earth-based observer. Using the constant speed of light, a set of fixed remote clocks in an inertial frame can be synchronized to a fixed master clock transmitting its time in that frame. The time on the remote clock defines the coordinate time at that coordinate position. However, the synchronization procedure for an accelerated frame is affected, because the distance between the master and remote clocks is altered due to the acceleration of the remote clock toward or away from the master clock during the transmission interval. An exact metric that converts observations from noninertial frames to inertial frames was recently derived. Using this metric with other physical relationships, a new concept of noninertial coordinate time is defined. This noninertial coordinate time includes all relativity compensations. This new issue raises several timekeeping issues, such as proper time standards, time transfer process, and clock synchronization, all in a noninertial frame such as Earth.

Steven D. Deines↗