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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Charge carrier dynamics in two-dimensional hybrid perovskites: Dion–Jacobson vs. Ruddlesden–Popper phases

Two-dimensional (2D) halide perovskites are promising materials for environmentally stable next-generation optoelectronic device applications. Besides the widely investigated Ruddlesden–Popper (RP) phases, Dion–Jacobson (DJ) phases are attracting considerable attention due to their rapid emergence as efficient solar cell materials. However, there is very little atomistic understanding of the charge carrier dynamics under ambient conditions for these DJ-phases, limiting the possibilities to tune their optoelectronic performances through compositional engineering routes. In this study, by combining nonadiabatic molecular dynamics with time-domain density functional theory methods at room temperature, we compare the dominant non-radiative carrier recombination and dephasing processes in RP and DJ monolayered lead halide perovskites. Our systematic study demonstrates that performance-limiting nonradiative carrier recombination processes greatly depends on the electron–phonon interactions induced by structural fluctuations and instantaneous charge localization in these materials. The stiffer interlayer packing due to the presence of single spacer dications, which separates the lead iodide slabs, reduces the thermal fluctuations in the DJ-phase to a greater extent than that in the RP-phase 2D-perovskites. Specific electronic coupling between the closely spaced lead iodide layers enhances the delocalization of band-edge charge densities in DJ-phase systems. Compared to the RP-phase, reduced inelastic electron–phonon scattering in DJ-phase perovskites significantly limits intrinsic non-radiative recombination processes. The consequent enhancement in the photogenerated charge carrier lifetime makes DJ-phase perovskites potentially suitable for various optoelectronic devices. The computational insights gained from this study allow us to outline a set of robust design principles for DJ-phase perovskites to strategically tune their optoelectronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

EXPANSE: A time-of-flight EXPanded Angle Neutron Spin Echo spectrometer at the Second Target Station of the Spallation Neutron Source

EXPANSE, an EXPanded Angle Neutron Spin Echo instrument, has been proposed and selected as one of the first suite of instruments to be built at the Second Target Station of the Spallation Neutron Source at the Oak Ridge National Laboratory. This instrument is designed to address scientific problems that involve high-energy resolution (neV– μeV) of dynamic processes in a wide range of materials. The wide-angle detector banks of EXPANSE provide coverage of nearly two orders of magnitude in scattering wavenumbers, and the wide wavelength band affords approximately four orders of magnitude in Fourier times. This instrument will offer unique capabilities that are not available in the currently existing neutron scattering instruments in the United States. Specifically, EXPANSE will enable direct measurements of slow dynamics in the time domain over wide Q-ranges simultaneously and will also enable time-resolved spectroscopic studies. The instrument is expected to contribute to a diverse range of science areas, including soft matter, polymers, biological materials, liquids and glasses, energy materials, unconventional magnets, and quantum materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Structural basis for p50RhoGAP BCH domain–mediated regulation of Rho inactivation

Significance Small GTPases are binary proteins that rapidly switch between active and inactive states through the actions of GEF- and GTPase-activating proteins (GAPs), respectively. GAPs play significant roles in cellular signaling, and their dysregulation is linked to numerous cancers. Here, we show that the BNIP-2 and Cdc42GAP Homology (BCH) domain of p50RhoGAP, known to autoinhibit the adjacent GAP domain, adopts an intertwined, dimeric structure with unique RhoA interactions. The β5-strand of the BCH domain plays a crucial role in the autoinhibition of the GAP domain. A mutation in the β5-strand destabilizes this autoinhibition and leads to RhoGAP activation. Our studies on the dynamics of the RhoGAP BCH domain will clarify its potential role in cancer and other diseases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Controllable Reset Behavior in Domain Wall–Magnetic Tunnel Junction Artificial Neurons for Task-Adaptable Computation

Neuromorphic computing with spintronic devices has been of interest due to the limitations of CMOS-driven von Neumann computing. Domain wall–magnetic tunnel junction (DW-MTJ) devices have been shown to be able to intrinsically capture biological neuron behavior. Edgy-relaxed behavior, where a frequently firing neuron experiences a lower action potential threshold, may provide additional artificial neuronal functionality when executing repeated tasks. In this letter, we demonstrate that this behavior can be implemented in DW-MTJ artificial neurons via three alternative mechanisms: shape anisotropy, magnetic field, and current-driven soft reset. Using micromagnetics and analytical device modeling to classify the Optdigits handwritten digit dataset, we show that edgy-relaxed behavior improves both classification accuracy and classification rate for ordered datasets while sacrificing little to no accuracy for a randomized dataset. This letter establishes methods by which artificial spintronic neurons can be flexibly adapted to datasets.

42 ENGINEERING↗
DOE OSTI2023

Frequency-domain terahertz spectroscopy using long-carrier-lifetime photoconductive antennas

We present a telecommunication-compatible frequency-domain terahertz spectroscopy system realized by novel photoconductive antennas without using short-carrier-lifetime photoconductors. Built on a high-mobility InGaAs photoactive layer, these photoconductive antennas are designed with plasmonics-enhanced contact electrodes to achieve highly confined optical generation near the metal/semiconductor surface, which offers ultrafast photocarrier transport and, hence, efficient continuous-wave terahertz operation including both generation and detection. Consequently, using two plasmonic photoconductive antennas as a terahertz source and a terahertz detector, we successfully demonstrate frequency-domain spectroscopy with a dynamic range more than 95 dB and an operation bandwidth of 2.5 THz. Moreover, this novel approach to terahertz antenna design opens up a wide range of new possibilities for many different semiconductors and optical excitation wavelengths to be utilized, therefore bypassing short-carrier-lifetime photoconductors with limited availability.

36 MATERIALS SCIENCE↗
DOE OSTI2020

FY20 Proxy App Suite Release: Report for ECP Proxy App Project Milestone ADCD-504-10

Version 4.0 of the ECP Proxy App Suite is practically unchanged from the previous release. The current set of proxies has proven useful for many aspects of benchmarking and co-design and we see little reason to alter the suite. Although there have been few changes to the ECP suite, the team has been hard at work in other areas. In the area of Machine Learning (ML) we have now created a separate proxy suite dedicated to this scientific applications of ML. The suite includes: miniGAN (Generative Adversarial Networks), miniRL (Reinforcement Learning), CRADL (inline inference), Cosmoflow-Benchmark (Convolutional Neural Network), and MLPerf-DeepCam (Climate Segmentation Benchmark). Section 3 contains more information about these proxies as well as the principles that are guiding the development of the suite. We have surveyed available proxies for several application domains including Computational Fluid Dynamics, Quantum Chemistry, Quantum Computing Simulation, Molecular Dynamics, Monte Carlo Transport, and Density Functional Theory to identify gaps in proxy coverage. Several new proxy apps are either already available or will be released soon to fill these gaps. Section 4 provides full details. Finally, section 5 reports on our continued collaboration with the ECP Continuous Integration (CI) effort to use proxy apps to help identify problems and roadblocks to cross-lab CI. We have also assisted the El Capitan Center of Excellence (COE) to stand up a CI system that will be used to test releases of HPE and AMD software stacks. We hope that the COE effort can serve as a model for ECP by showing how the Proxy App Team can work with AD and ST teams identify critical features, kernels, patterns, etc. and incorporate them into a CI system that will help ensure that Frontier and Aurora will provide those needed capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

AI-Based Faster-Than-Real-Time Stability Assessment of Large Power Systems with Applications on WECC System

Achieving clean energy goals will require significant advances in regard to addressing the computational needs for next-generation renewable-dominated power grids. One critical obstacle that lies in the way of transitioning today’s power grid to a renewable-dominated power grid is the lack of a faster-than-real-time stability assessment technology for operating a fast-changing power grid. This paper proposes an artificial intelligence (AI) -based method that predicts the system’s stability margin information (e.g., the frequency nadir in the frequency stability assessment and the critical clearing time (CCT) value in the transient stability assessment) directly from the system operating conditions without performing the conventional time-consuming time-domain simulations over detailed dynamic models. Since the AI method shifts the majority of the computational burden to offline training, the online evaluation is extremely fast. This paper has tested the AI-based stability assessment method using multiple dispatch cases that are converted and tuned from actual dispatch cases of the Western Electricity Coordinating Council (WECC) system model with more than 20,000 buses. The results show that the AI-based method could accurately predict the stability margin of such a large power system in less than 0.2 milliseconds using the offline-trained AI agent. Therefore, the proposed method has great potential to achieve faster-than-real-time stability assessment for practical large power systems while preserving sufficient accuracy.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

3D Hydrodynamics of Pre-supernova Outbursts in Convective Red Supergiant Envelopes

Eruptive mass loss likely produces the energetic outbursts observed from some massive stars before they become core-collapse supernovae (SNe). The resulting dense circumstellar medium may also cause the subsequent SNe to be observed as Type IIn events. The leading hypothesis of the cause of these outbursts is the response of the envelope of the red supergiant (RSG) progenitor to energy deposition in the months to years prior to collapse. Early theoretical studies of this phenomenon were limited to 1D, leaving the 3D convective RSG structure unaddressed. Using FLASH's hydrodynamic capabilities, we explore the 3D outcomes by constructing convective RSG envelope models and depositing energies less than the envelope binding energies on timescales shorter than the envelope dynamical time deep within them. We confirm the 1D prediction of an outward-moving acoustic pulse steepening into a shock, unbinding the outermost parts of the envelope. However, we find that the initial 2–4 km s -1 convective motions seed the intrinsic convective instability associated with the high-entropy material deep in the envelope, enabling gas from deep within the envelope to escape and increasing the amount of ejected mass compared to an initially "quiescent" envelope. The 3D models reveal a rich density structure, with column densities varying by ≈10× along different lines of sight. Our work highlights that the 3D convective nature of RSG envelopes impacts our ability to reliably predict the outburst dynamics, the amount, and the spatial distribution of the ejected mass associated with deep energy deposition.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1975

Status of input design for aircraft parameter identification

Results are presented on the design of aircraft inputs (i.e. elevator, rudder and aeleron deflection time histories) to identify aircraft stability and control derivatives from flight test data. The problem is first reduced to an optimization problem with differential and integral constraints. The criteria used are either expressed in terms of the Cramer-Rao lower bound on the covariance matrix of the parameter estimates or in terms of the maximum prediction error variance. Both time-domain longitudinal and lateral dynamics of C-8 and Jet Star aircrafts and comparison with doublet type inputs are made.

Mehra, R. K.↗
NASA NTRS1989

Concurrent processing simulation of the space station

The development of a new capability for the time-domain simulation of multibody dynamic systems and its application to the study of a large angle rotational maneuvers of the Space Station is described. The effort was divided into three sequential tasks, which required significant advancements of the state-of-the art to accomplish. These were: (1) the development of an explicit mathematical model via symbol manipulation of a flexible, multibody dynamic system; (2) the development of a methodology for balancing the computational load of an explicit mathematical model for concurrent processing; and (3) the implementation and successful simulation of the above on a prototype Custom Architectured Parallel Processing System (CAPPS) containing eight processors. The throughput rate achieved by the CAPPS operating at only 70 percent efficiency, was 3.9 times greater than that obtained sequentially by the IBM 3090 supercomputer simulating the same problem. More significantly, analysis of the results leads to the conclusion that the relative cost effectiveness of concurrent vs. sequential digital computation will grow substantially as the computational load is increased. This is a welcomed development in an era when very complex and cumbersome mathematical models of large space vehicles must be used as substitutes for full scale testing which has become impractical.

Gluck, R.↗
NASA NTRS1994

Pilot interaction with cockpit automation 2: An experimental study of pilots' model and awareness of the Flight Management System

Technological developments have made it possible to automate more and more functions on the commercial aviation flight deck and in other dynamic high-consequence domains. This increase in the degrees of freedom in design has shifted questions away from narrow technological feasibility. Many concerned groups, from designers and operators to regulators and researchers, have begun to ask questions about how we should use the possibilities afforded by technology skillfully to support and expand human performance. In this article, we report on an experimental study that addressed these questions by examining pilot interaction with the current generation of flight deck automation. Previous results on pilot-automation interaction derived from pilot surveys, incident reports, and training observations have produced a corpus of features and contexts in which human-machine coordination is likely to break down (e.g., automation surprises). We used these data to design a simulated flight scenario that contained a variety of probes designed to reveal pilots' mental model of one major component of flight deck automation: the Flight Management System (FMS). The events within the scenario were also designed to probe pilots' ability to apply their knowledge and understanding in specific flight contexts and to examine their ability to track the status and behavior of the automated system (mode awareness). Although pilots were able to 'make the system work' in standard situations, the results reveal a variety of latent problems in pilot-FMS interaction that can affect pilot performance in nonnormal time critical situations.

Sarter, Nadine B.↗
NASA NTRS1993

Computational mechanics analysis tools for parallel-vector supercomputers

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigen-solution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization algorithm and domain decomposition. The source code for many of these algorithms is available from NASA Langley.

Storaasli, O. O.↗
NASA NTRS2002

System Simulation by Recursive Feedback: Coupling A Set of Stand-Alone Subsystem Simulations

Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled self-contained stand-alone subsystem simulations. A satellite motion example containing three subsystems (other dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system simultaneous-solution approach.

Nixon, Douglas D.↗
NASA NTRS2002

System Simulation by Recursive Feedback: Coupling a Set of Stand-Alone Subsystem Simulations

Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled, self-contained, stand-alone subsystem simulations. A satellite motion example containing three subsystems (orbit dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system, simultaneous-solution approach.

Nixon, Douglas D.↗
NASA NTRS1994

Parallel DSMC Solution of Three-Dimensional Flow Over a Finite Flat Plate

This paper describes a parallel implementation of the direct simulation Monte Carlo (DSMC) method. Runtime library support is used for scheduling and execution of communication between nodes, and domain decomposition is performed dynamically to maintain a good load balance. Performance tests are conducted using the code to evaluate various remapping and remapping-interval policies, and it is shown that a one-dimensional chain-partitioning method works best for the problems considered. The parallel code is then used to simulate the Mach 20 nitrogen flow over a finite-thickness flat plate. It is shown that the parallel algorithm produces results which compare well with experimental data. Moreover, it yields significantly faster execution times than the scalar code, as well as very good load-balance characteristics.

Nance, Robert P.↗
NASA NTRS2007

World Wind 3D Earth Viewing

World Wind allows users to zoom from satellite altitude down to any place on Earth, leveraging high-resolution LandSat imagery and SRTM (Shuttle Radar Topography Mission) elevation data to experience Earth in visually rich 3D. In addition to Earth, World Wind can also visualize other planets, and there are already comprehensive data sets for Mars and the Earth's moon, which are as easily accessible as those of Earth. There have been more than 20 million downloads to date, and the software is being used heavily by the Department of Defense due to the code s ability to be extended and the evolution of the code courtesy of NASA and the user community. Primary features include the dynamic access to public domain imagery and its ease of use. All one needs to control World Wind is a two-button mouse. Additional guides and features can be accessed through a simplified menu. A JAVA version will be available soon. Navigation is automated with single clicks of a mouse, or by typing in any location to automatically zoom in to see it. The World Wind install package contains the necessary requirements such as the .NET runtime and managed DirectX library. World Wind can display combinations of data from a variety of sources, including Blue Marble, LandSat 7, SRTM, NASA Scientific Visualization Studio, GLOBE, and much more. A thorough list of features, the user manual, a key chart, and screen shots are available at http://worldwind.arc.nasa.gov.

Hogan, Patrick↗
NASA NTRS2010

A Data Filter for Identifying Steady-State Operating Points in Engine Flight Data for Condition Monitoring Applications

This paper presents an algorithm that automatically identifies and extracts steady-state engine operating points from engine flight data. It calculates the mean and standard deviation of select parameters contained in the incoming flight data stream. If the standard deviation of the data falls below defined constraints, the engine is assumed to be at a steady-state operating point, and the mean measurement data at that point are archived for subsequent condition monitoring purposes. The fundamental design of the steady-state data filter is completely generic and applicable for any dynamic system. Additional domain-specific logic constraints are applied to reduce data outliers and variance within the collected steady-state data. The filter is designed for on-line real-time processing of streaming data as opposed to post-processing of the data in batch mode. Results of applying the steady-state data filter to recorded helicopter engine flight data are shown, demonstrating its utility for engine condition monitoring applications.

Simon, Donald L.↗