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At least 613 records · Page 34

All sources NASA NTRS DOE OSTI

DOE OSTI2023

A Graph Dynamical neural network approach for decoding dynamical states in ferroelectrics.

Ferroelectric materials such as BaTiO 3 show tremendous potential for emerging advances in memory devices, particular neuromorphic type devices. High density of memory can be obtained by stabilising polar domain walls at the nanoscale, regions of discontinuity between the well-defined polarization order parameter, but little is known about what controls their structure and dynamics in real nanoscale materials. Indeed, chiral polar domain walls have been observed in heterogeneous ferroelectrics, such as oxygen-deficient BaTiO 3 , but very little is known about how such polar-domains walls interact with defects. Indeed, a critical understanding of how dynamics of domain-walls depend on point-defects is crucial to create engineered ferroelectric memory devices. For this work, we perform large-scale simulations of nansocale domain-wall dynamics in pristine and defective BaTiO 3 using reactive force-field developed by us earlier (Phys. Chem. Chem. Phys., 2019, 21, 18240–18249), and capture their dynamical dependence on point defects using a graph dynamical neural-network approach, which we adapted to interrogate solids with well-defined order-parameters, and implemented using Pytorch based libraries. Our machine learning (ML) approach goes beyond the traditional post-processing methods to capture both spatial and temporal heterogeneities of large-scale molecular dynamics simulations of complex defective ferroelectric oxide materials. We crucially find that isolated oxygen vacancies introduce very localized spatial regions (~1–2 unit-cell in length) that show slow dipole relaxation due to formation of defect-dipoles, and that these defect-dipoles in turn slow the intrinsic dynamics of domain walls. Further, the roughness of domain walls, also influenced by vacancies, introduce dynamic heterogeneity along the domain-wall. As such we find a novel mechanism by which quenched disorder due to defects introduce dynamic heterogeneity thereby influencing response to external fields (particularly time varying fields) in a ferroelectric. Our study also emphasizes the need for creating digital twins of dynamical quantities to achieve autonomous in operando control of nanoscale switching.

42 ENGINEERING↗

DOE OSTI2023

First-principles molten salt phase diagrams through thermodynamic integration

Precise prediction of phase diagrams in molecular dynamics simulations is challenging due to the simultaneous need for long time and large length scales and accurate interatomic potentials. Here, we show that thermodynamic integration from low-cost force fields to neural network potentials trained using density-functional theory (DFT) enables rapid first-principles prediction of the solid–liquid phase boundary in the model salt NaCl. We use this technique to compare the accuracy of several DFT exchange–correlation functionals for predicting the NaCl phase boundary and find that the inclusion of dispersion interactions is critical to obtain good agreement with experiment. Importantly, our approach introduces a method to predict solid–liquid phase boundaries for any material at an ab initio level of accuracy, with the majority of the computational cost at the level of classical potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Tournament-Based Pretraining to Accelerate Federated Learning

Advances in hardware, proliferation of compute at the edge, and data creation at unprecedented scales have made federated learning (FL) necessary for the next leap forward in pervasive machine learning. For privacy and network reasons, large volumes of data remain stranded on endpoints located in geographically austere (or at least austere network-wise) locations. However, challenges exist to the effective use of these data. To solve the system and functional level challenges, we present an three novel variants of a serverless federated learning framework. We also present tournament-based pretraining, which we demonstrate significantly improves model performance in some experiments. Overall, these extensions to FL and our novel training method enable greater focus on science rather than ML development.

Baughman, Matt↗

NASA NTRS1972

Large-scale solar magnetic fields and H-alpha patterns

Coronal and interplanetary magnetic fields computed from measurements of large-scale photospheric magnetic fields suffer from interruptions in day-to-day observations and the limitation of using only measurements made near the solar central meridian. Procedures were devised for inferring the lines of polarity reversal from H-alpha solar patrol photographs that map the same large-scale features found on Mt. Wilson magnetograms. These features may be monitored without interruption by combining observations from the global network of observatories associated with NOAA's Space Environment Services Center. The patterns of inferred magnetic fields may be followed accurately as far as 60 deg from central meridian. Such patterns will be used to improve predictions of coronal features during the next solar eclipse.

Mcintosh, P. S.↗

NASA NTRS1973

The International Planetary Patrol Program - An assessment of the first three years.

Day-to-day and hour-to-hour changes in the large-scale atmospheric and surface features of the planets can now be studied more effectively than previously possible. Since 1969 a network of observatories has obtained almost uninterrupted photographic coverage during all apparitions of Jupiter and Mars, plus some of Venus. Patrol films and catalogs are available to the scientific community. Recent or current analyses include the distribution and motion of clouds on Mars, the development and decay of Martian dust storms, the seasonal, diurnal, and random fluctuations in contrast between adjacent light and dark regions on Mars, the detection of vertical shear in the Jovian atmosphere, the longitudinal oscillation of the Red Spot, the dependence of rotation period on xenographic latitude and on time, the eruption and spread of south equatorial belt disturbances, and the retrograde circulation of the Venus cloud deck.

Baum, W. A.↗

NASA NTRS1983

Meteorological and dynamical requirements for MST radar networks: Waves

Studies of wave motions using the MST radar have concentrated on single station time series analyses of gravity waves and tides. Since these radars collect high time resolution data they have the potential to become a significant tool for mesoscale research. In addition, radars are operated almost continuously unattended and, consequently, data sets are available for analyzing longer period wave motions such as tides and planetary scale waves. Although there is much to learn from single station data, the possibilities of new knowledge from a network of radars is exciting. The scales of wave motions in the atmosphere cover a broad range. Consequently the choice of a radar network depends to a large extent on the types of wave motions that are studied. There are many outstanding research problems that would benefit from observations from a MST radar network. In particular, there is a strong need for measurements of gravity wave parameters and equatorial wave motions. Some of the current problems in wave dynamics are discussed.

Avery, S. K.↗

NASA NTRS1994

Large-Scale Numerical Simulations of Human Motion

This paper examines the feasibility of using massively-parallel and vector-processing supercomputers to solve large-scale optimal control problems for human movement. Specifically, we compare the computational expense of determining the optimal controls for the single support phase of walking using a conventional serial machine (a Silicon Graphics Personal Iris 4D25 workstation), a MIMD parallel machine (an Intel iPSC/860 comprising 128 processors), and a parallel-vector-processing machine (a Cray Y-MP 8/864). With the human body modeled as a 14 degree-of-freedom linkage actuated by 46 musculotendinous units, computation of the optimal controls for walking could take up to 3 months of CPU time on the Iris. Both the Cray Y-MP and the Intel iPSC/860 are able to reduce this time to practical levels. The optimal control solution for walking can be found with about 77 hours of CPU time on the Cray, and with about 88 hours of CPU time on the Intel. Although the overall speeds of the Cray and the Intel were found to be similar, the unique capabilities of each machine are best suited to different parts of the optimal control algorithm used. The Intel performed best in the calculation of the derivatives of the performance criterion and the constraints. In contrast, the Cray performed best during parameter optimization of the controls. These results suggest that the ideal computer architecture for solving very large-scale optimal control problems is a hybrid system in which a vector-processing machine is integrated into the communication network of a MIMD parallel machine.

Anderson, Frank C.↗

NASA NTRS2003

The Magnetic Structure of H-Alpha Macrospicules in Solar Coronal Holes

Measurements by Ulysses in the high-speed polar solar wind have shown the wind to carry some fine-scale structures in which the magnetic field reverses direction by having a switchback fold in it. The lateral span of these magnetic switchbacks, translated to the Sun, is of the scale of the lanes and cells of the magnetic network in which the open magnetic flux of the polar coronal hole and polar solar wind are rooted. This suggests that the magnetic switchbacks might be formed from network-scale magnetic loops that erupt into the corona and then undergo reconnection with the open field. This possibility motivated us to undertake the study reported here of the structure of H-alpha macrospicules observed at the limb in polar coronal holes, to determine whether a significant fraction of these eruptions appear to be erupting loops. From a search of the polar-coronal holes in 6 days of image-processed full-disk H-alpha movies from Big Bear Solar Observatory, we found a total of 35 macrospicules. Nearly all of these (32) were of one or the other of two different forms: 15 were in the form of an erupting loop, and 17 were in the form of a single-column spiked jet. The erupting-loop macrospicules are appropriate for producing the magnetic switchbacks in the polar wind. The spiked-jet macrospicules show the appropriate structure and evolution to be driven by reconnection between network-scale closed field (a network bipole) and the open field rooted against the closed field. This evidence for reconnection in a large fraction of our macrospicules (1) suggests that many spicules may be generated by similar but smaller reconnection events, and (2) supports the view that coronal heating and solar wind acceleration in coronal holes and in quiet regions and corona are driven by explosive reconnection events in the magnetic network.

Yamauchi, Y.↗

NASA NTRS2004

The Magnetic Structure of H-alpha Macrospicules in Solar Coronal Holes

Measurements by Ulysses in the high-speed polar solar wind have shown the wind to carry some fine-scale structures in which the magnetic field reverses direction by having a switchback fold in it. The lateral span of these magnetic switchbacks, translated back to the Sun, is of the scale of the lanes and cells of the magnetic network in which the open magnetic field of the polar coronal hole and polar solar wind are rooted. This suggests that the magnetic switchbacks might be formed from network-scale magnetic loops that erupt into the corona and then undergo reconnection with the open field. This possibility motivated us to undertake the study reported here of the structure of Ha macrospicules observed at the limb in polar coronal holes, to determine whether a significant fraction of these eruptions appear to be erupting loops. From a search of the polar coronal holes in 6 days of image- processed full-disk Ha movies from Big Bear Solar Observatory, we found a total of 35 macrospicules. Nearly all of these (32) were of one or the other of two different forms: 15 were in the form of an erupting loop, and 17 were in the form of a single column spiked jet. The erupting-loop macrospicules are appropriate for producing the magnetic switchbacks in the polar wind. The spiked-jet macrospicules show the appropriate structure and evolution to be driven by reconnection between network-scale closed field (a network bipole) and the open field rooted against the closed field. This evidence for reconnection in a large fraction of our macrospicules (1) suggests that many spicules may be generated by similar but smaller reconnection events and (2) supports the view that coronal heating and solar wind acceleration in coronal holes and in quiet regions are driven by explosive reconnection events in the magnetic network.

Yamauchi, Y.↗

NASA NTRS1995

Application of high-performance computing to numerical simulation of human movement

We have examined the feasibility of using massively-parallel and vector-processing supercomputers to solve large-scale optimization problems for human movement. Specifically, we compared the computational expense of determining the optimal controls for the single support phase of gait using a conventional serial machine (SGI Iris 4D25), a MIMD parallel machine (Intel iPSC/860), and a parallel-vector-processing machine (Cray Y-MP 8/864). With the human body modeled as a 14 degree-of-freedom linkage actuated by 46 musculotendinous units, computation of the optimal controls for gait could take up to 3 months of CPU time on the Iris. Both the Cray and the Intel are able to reduce this time to practical levels. The optimal solution for gait can be found with about 77 hours of CPU on the Cray and with about 88 hours of CPU on the Intel. Although the overall speeds of the Cray and the Intel were found to be similar, the unique capabilities of each machine are better suited to different portions of the computational algorithm used. The Intel was best suited to computing the derivatives of the performance criterion and the constraints whereas the Cray was best suited to parameter optimization of the controls. These results suggest that the ideal computer architecture for solving very large-scale optimal control problems is a hybrid system in which a vector-processing machine is integrated into the communication network of a MIMD parallel machine.

NASA Discipline Musculoskeletal↗

NASA NTRS2012

Images of Bottomside Irregularities Observed at Topside Altitudes

We analyzed plasma and field measurements acquired by the Communication/ Navigation Outage Forecasting System (C/NOFS) satellite during an eight-hour period on 13-14 January 2010 when strong to moderate 250 MHz scintillation activity was observed at nearby Scintillation Network Decision Aid (SCINDA) ground stations. C/NOFS consistently detected relatively small-scale density and electric field irregularities embedded within large-scale (approx 100 km) structures at topside altitudes. Significant spectral power measured at the Fresnel (approx 1 km) scale size suggests that C/NOFS was magnetically conjugate to bottomside irregularities similar to those directly responsible for the observed scintillations. Simultaneous ion drift and plasma density measurements indicate three distinct types of large-scale irregularities: (1) upward moving depletions, (2) downward moving depletions, and (3) upward moving density enhancements. The first type has the characteristics of equatorial plasma bubbles; the second and third do not. The data suggest that both downward moving depletions and upward moving density enhancements and the embedded small-scale irregularities may be regarded as Alfvenic images of bottomside irregularities. This interpretation is consistent with predictions of previously reported theoretical modeling and with satellite observations of upward-directed Poynting flux in the low-latitude ionosphere.

satellite↗

NASA NTRS2019

Complex Dynamics of Air Traffic Flow

Air traffic in the United States has continued to grow at a steady pace since 1980, except for a dip immediately after the tragic events of September 11, 2001. There are different growth scenarios associated both with the magnitude and the composition of the future air traffic. The Terminal Area Forecast (TAF), prepared every year by the FAA, projects the growth of traffic in the United States. Both Boeing and Airbus publish market outlooks for air travel annually. Although predicting the future growth of traffic is difficult, there are two significant trends: heavily congested major airports continue to see an increase in traffic, and the emergence of regional jets and other smaller aircraft with fewer passengers operating directly between non-major airports. The interaction between air traffic demand and the ability of the system to provide the necessary airport and airspace resources can be modeled as a network. The size of the resulting network varies depending on the choice of its nodes. It would be useful to understand the properties of this network to guide future design and development. Many questions, such as the growth of delay with increasing traffic demand and impact of the en route weather on future air traffic, require a systematic understanding of the properties of the air traffic network. There has been a major advance in the understanding of the behavior of networks with a large number of components. Several theories have been advanced about the evolution of large biological and engineering networks by authors in diversified disciplines like physics, mathematics, biology and computer science. Several networks exhibit a scale-free property in the sense that the probabilistic distribution of their nodes as a function of connections decreases slower than an exponential. These networks are characterized by the fact that a small number of components have a disproportionate influence on the performance of the network. Scale-free networks are tolerant to random failure of components, but are vulnerable to selective attack on components. This paper examines two network representations for the baseline air traffic system. A network defined with the 40 major airports as nodes and with standard flight routes as links has a characteristic scale: all nodes have 60 or more links and no node has more than 460 links. Another network is defined with baseline aircraft routing structure exhibits an exponentially truncated scale-free behavior. Its degree ranges from 2 connections to 2900 connections, and 225 nodes have more than 250 connections. Furthermore, those high-degree nodes are homogeneously distributed in the airspace. A consequence of this scale-free behavior is that the random loss of a single node has little impact, but the loss of multiple high-degree nodes (such as occurs during major storms in busy airspace) can adversely impact the system. Two future scenarios of air traffic growth are used to predict the growth of air traffic in the United States. It is shown that a three-times growth in the overall traffic may result in a ten-times impact on the density of traffic in certain parts of the United States.

Scale-free Networks↗

NASA NTRS2023

An Urban Drainage Scheme for Large-Scale Flood Models

As flood modeling spatial resolutions get finer, physical processes normally neglected, such as urban drainage, must be accounted for. Here, we describe and evaluate an urban drainage scheme for large-scale flood models. The parameterization accounts for urban imperviousness, and water flow over streets and through a prescribed urban drainage network. A parameter sensitivity analysis is performed during three major extreme floods over Rio de Janeiro city, Brazil, at ∼200 m spatial resolution. Results show that, compared to a hypothetical case without urban drainage, representing a drainage network decreases urban flooding during selected extreme events across Rio de Janeiro by 31–53 %. Such a decrease is caused by an underground water storage of up to 2.5 billion m3 across the city during flood peaks. Underground water storage and transport smooth out and delay peak flows by a few hours over major rivers and channels draining the city. Simulations also indicate that the number of residents exposed to flooding drops by 60–80 %, from ∼5 million to 1–2 million, when an urban drainage system is considered during extreme events. Similar proportions are found for social infrastructure (i.e., schools and hospitals) exposed to flooding. Results reveal that racial minority and low-income populations could disproportionally be exposed to extreme floodings across the city. We conclude that representing urban drainage has a substantial impact on flood exposure and should be accounted for in fine resolution modeling. The proposed scheme is particularly useful in poorly monitored cities and where extreme floods are a frequent hazard yet to be tackled.

Urban drainage↗

NASA NTRS2024

Improved Soil Moisture Estimation and Detection of Irrigation Signal By Incorporating SMAP Soil Moisture Into the Indian Land Data Assimilation System (ILDAS)

Land surface models have facilitated the estimation of soil moisture over a range of spatiotemporal scales. However, limitations in model parameterization and under-representation of anthropogenic processes restrict their ability to estimate local-scale soil moisture variability, especially over irrigated areas. Assimilation of satellite-based soil moisture retrievals into land surface models can be a viable approach to overcome these constraints, specially over highly irrigated countries such as India, where such applications are rare. Additionally, large-scale validation of modeled soil moisture has been limited over India till now due to lack of a representative station network. By assimilating Soil Moisture Active Passive (SMAP)-based estimates into the state-of-the-art Indian Land Data Assimilation System (ILDAS) and combining with a new soil moisture station network of more than 200 stations, this study demonstrates improved soil moisture estimations and capture of irrigation signals over the region. The Noah-MP land surface model is forced by multiple local and global meteorological datasets and Ensemble Kalman Filter (EnKF) is used for assimilation of soil moisture. Comparison of open-loop and data assimilated soil moisture against station soil moisture data shows relative spatial mean improvement of 0.0178 in correlation and 0.0029 m3/m3 in RMSE. Further statistical comparison with in-situ data has also shown better results over most of the stations, as evident from improved correlations and reduced unbiased RMSE after assimilation. Finally, the climatology of soil moisture over the different irrigation fractions reveals that data assimilated outputs over irrigated grid cells tend to have higher soil moisture during dry winter season, demonstrating the ability to capture irrigation signals. These findings quantify the value of data assimilation in improving soil moisture estimates and the ability to capture unmodeled processes such as irrigation, which lays the science groundwork for upcoming space missions such as NASA ISRO Synthetic Aperture Radar (NISAR).

Soil Moisture↗

DOE OSTI2025

Decentralized Distributed Proximal Policy Optimization (DD-PPO) for High Performance Computing Scheduling on Multi-User Systems

Resource allocation in High Performance Computing (HPC) environments presents a complex and multifaceted challenge for job scheduling algorithms. Beyond the efficient allocation of system resources, schedulers must account for and optimize multiple performance metrics, including job wait time and system throughput. Traditional heuristic-based scheduling algorithms increasingly struggle and lack the efficiency needed to meet the demands and address the complexity and scale of modern HPC systems. Consequently, recent research efforts have focused on leveraging advancements in Artificial Intelligence (AI) and Deep Learning (DL), particularly Reinforcement Learning (RL), to develop more adaptable and intelligent scheduling strategies. Previous RL-based scheduling approaches have explored a range of algorithms, from Deep Q-Networks (DQN) to Proximal Policy Optimization (PPO), and more recently, hybrid methods that integrate Graph Neural Networks (GNNs) with RL techniques. However, a common limitation across these methods is their reliance on relatively small datasets, with few methods being evaluated using large-scale, multi-million-job trace datasets representative of real-world HPC workloads. Moreover, existing RL schedulers face scalability issues due to centralized policy updates, which hinder training efficiency and performance when applied to large datasets. This study introduces a novel RL-based scheduler utilizing Decentralized Distributed Proximal Policy Optimization (DD-PPO) algorithm, which supports large-scale distributed training across multiple workers without requiring parameter synchronization at every step. By eliminating reliance on centralized updates to a shared policy, the DD-PPO scheduler enhances scalability, training efficiency, and sample utilization. Experimental validation using a large real-world dataset containing over 11.5 million job traces collected from petascale HPC systems over six years assesses the influence of dataset scale on training effectiveness and compares DD-PPO performance to traditional and advanced scheduling approaches. The experimental results demonstrate improved scheduling performance in comparison to both heuristic-based schedulers and existing RL-based scheduling algorithms.

AI↗

NASA NTRS2003

Hybrid VLSI/QCA Architecture for Computing FFTs

A data-processor architecture that would incorporate elements of both conventional very-large-scale integrated (VLSI) circuitry and quantum-dot cellular automata (QCA) has been proposed to enable the highly parallel and systolic computation of fast Fourier transforms (FFTs). The proposed circuit would complement the QCA-based circuits described in several prior NASA Tech Briefs articles, namely Implementing Permutation Matrices by Use of Quantum Dots (NPO-20801), Vol. 25, No. 10 (October 2001), page 42; Compact Interconnection Networks Based on Quantum Dots (NPO-20855) Vol. 27, No. 1 (January 2003), page 32; and Bit-Serial Adder Based on Quantum Dots (NPO-20869), Vol. 27, No. 1 (January 2003), page 35. The cited prior articles described the limitations of very-large-scale integrated (VLSI) circuitry and the major potential advantage afforded by QCA. To recapitulate: In a VLSI circuit, signal paths that are required not to interact with each other must not cross in the same plane. In contrast, for reasons too complex to describe in the limited space available for this article, suitably designed and operated QCAbased signal paths that are required not to interact with each other can nevertheless be allowed to cross each other in the same plane without adverse effect. In principle, this characteristic could be exploited to design compact, coplanar, simple (relative to VLSI) QCA-based networks to implement complex, advanced interconnection schemes.

Fijany, Amir↗

DOE OSTI2020

Improving galaxy clustering measurements with deep learning: analysis of the DECaLS DR7 data

ABSTRACT Robust measurements of cosmological parameters from galaxy surveys rely on our understanding of systematic effects that impact the observed galaxy density field. In this paper, we present, validate, and implement the idea of adopting the systematics mitigation method of artificial neural networks for modelling the relationship between the target galaxy density field and various observational realities including but not limited to Galactic extinction, seeing, and stellar density. Our method by construction allows a wide class of models and alleviates overtraining by performing k-fold cross-validation and dimensionality reduction via backward feature elimination. By permuting the choice of the training, validation, and test sets, we construct a selection mask for the entire footprint. We apply our method on the extended Baryon Oscillation Spectroscopic Survey (eBOSS) Emission Line Galaxies (ELGs) selection from the Dark Energy Camera Legacy Survey (DECaLS) Data Release 7 and show that the spurious large-scale contamination due to imaging systematics can be significantly reduced by up-weighting the observed galaxy density using the selection mask from the neural network and that our method is more effective than the conventional linear and quadratic polynomial functions. We perform extensive analyses on simulated mock data sets with and without systematic effects. Our analyses indicate that our methodology is more robust to overfitting compared to the conventional methods. This method can be utilized in the catalogue generation of future spectroscopic galaxy surveys such as eBOSS and Dark Energy Spectroscopic Instrument (DESI) to better mitigate observational systematics.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Hierarchical, Grid-Aware, and Economically Optimal Coordination of Distributed Energy Resources in Realistic Distribution Systems

Renewable portfolio standards are targeting high levels of variable solar photovoltaics (PV) in electric distribution systems, which makes reliability more challenging to maintain for distribution system operators (DSOs). Distributed energy resources (DERs), including smart, connected appliances and PV inverters, represent responsive grid resources that can provide flexibility to support the DSO in actively managing their networks to facilitate reliability under extreme levels of solar PV. This flexibility can also be used to optimize system operations with respect to economic signals from wholesale energy and ancillary service markets. Here, we present a novel hierarchical scheme that actively controls behind-the-meter DERs to reliably manage each unbalanced distribution feeder and exploits the available flexibility to ensure reliable operation and economically optimizes the entire distribution network. Each layer of the scheme employs advanced optimization methods at different timescales to ensure that the system operates within both grid and device limits. The hierarchy is validated in a large-scale realistic simulation based on data from the industry. Simulation results show that coordination of flexibility improves both system reliability and economics, and enables greater penetration of solar PV. Discussion is also provided on the practical viability of the required communications and controls to implement the presented scheme within a large DSO.

distribution network↗