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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Cloud Macroscopic Organization: Order Emerging from Randomness

Clouds play a central role in many aspects of the climate system and their forms and shapes are remarkably diverse. Appropriate representation of clouds in climate models is a major challenge because cloud processes span at least eight orders of magnitude in spatial scales. Here we show that there exists order in cloud size distribution of low-level clouds, and that it follows a power-law distribution with exponent gamma close to 2. gamma is insensitive to yearly variations in environmental conditions, but has regional variations and land-ocean contrasts. More importantly, we demonstrate this self-organizing behavior of clouds emerges naturally from a complex network model with simple, physical organizing principles: random clumping and merging. We also demonstrate symmetry between clear and cloudy skies in terms of macroscopic organization because of similar fundamental underlying organizing principles. The order in the apparently complex cloud-clear field thus has its root in random local interactions. Studying cloud organization with complex network models is an attractive new approach that has wide applications in climate science. We also propose a concept of cloud statistic mechanics approach. This approach is fully complementary to deterministic models, and the two approaches provide a powerful framework to meet the challenge of representing clouds in our climate models when working in tandem.

Yuan, Tianle↗
DOE OSTI2024

HPC Network Simulation Tuning via Automatic Extraction of Hardware Parameters

Popular HPC network interconnection simulators such as SST/macro provide a variety of configurable parameters to explore the design space of hardware components such as network interface cards (NIC), switches, and links among them. While such knobs provide flexibility to explore design trade-offs for novel hardware, manually configuring simulations for matching configurations of the existing hardware to focus on topology exploration can be cumbersome and error-prone, leading to widely inaccurate simulations. This challenge is compounded when specifications of various (proprietary) technologies are not readily available or intentionally omitted. In this work, we propose a framework to autotune the multiple network models’ simulation configurations within SST/macro using Tree-structured Parzen Estimator-based Bayesian optimization to observe the effect on simulation accuracy across different message regimes. These regimes consist of small to large message sizes and latency to bandwidth-bound messages. We provide a detailed analysis of the simulation error for four representative HPC systems. Our Bayesian optimization based autotuning framework for network models achieves a maximum of 5x improvement in accuracy over best-effort manual configurations based on available hardware specifications.

Simulation, autotuning↗
NASA NTRS1992

Advanced ISDN satellite designs and experiments

The research performed by GTE Government Systems and the University of Colorado in support of the NASA Satellite Communications Applications Research (SCAR) Program is summarized. Two levels of research were undertaken. The first dealt with providing interim services Integrated Services Digital Network (ISDN) satellite (ISIS) capabilities that accented basic rate ISDN with a ground control similar to that of the Advanced Communications Technology Satellite (ACTS). The ISIS Network Model development represents satellite systems like the ACTS orbiting switch. The ultimate aim is to move these ACTS ground control functions on-board the next generation of ISDN communications satellite to provide full-service ISDN satellite (FSIS) capabilities. The technical and operational parameters for the advanced ISDN communications satellite design are obtainable from the simulation of ISIS and FSIS engineering software models of the major subsystems of the ISDN communications satellite architecture. Discrete event simulation experiments would generate data for analysis against NASA SCAR performance measure and the data obtained from the ISDN satellite terminal adapter hardware (ISTA) experiments, also developed in the program. The Basic and Option 1 phases of the program are also described and include the following: literature search, traffic mode, network model, scenario specifications, performance measures definitions, hardware experiment design, hardware experiment development, simulator design, and simulator development.

Pepin, Gerard R.↗
DOE OSTI2022

Adaptive Urban Traffic Signal Control for Multiple Intersections: An LQR Approach

Traffic congestion leads to severe problems especially in urban traffic networks. It increases the chance of accidents, energy waste, and social costs. In order to address these problems, an adaptive linear quadratic regulator (LQR) approach is developed for traffic signal control at multiple intersections in an urban area. The proposed method controls the green time of the traffic signals to reduce traffic congestion and smooth traffic flow. Real-world data from vision-based traffic sensors are used to build the traffic network model, which mimics the real-world traffic behavior. In addition, the proposed control utilizes recursive least square parameter estimation, which is capable of tracking dynamic changes in traffic conditions. Simulation of Urban MObility (SUMO) is used to analyze the efficacy of the proposed method. Results of the simulation show that the proposed method outperforms pretimed control in various aspects.

adaptive LQR control↗
DOE OSTI2023

Harnessing Neural Networks for Elucidating X-ray Absorption Structure–Spectrum Relationships in Amorphous Carbon

Improved understanding of structural and chemical properties through local experimental probes, such as X-ray absorption near-edge structure (XANES) spectroscopy, is crucial for the understanding and design of functional materials. In recent years, significant advancements have been made in the development of data science approaches for the automated interpretation of XANES structure–spectrum relationships. However, existing studies have primarily focused on crystalline solids and small molecules, while fewer efforts have been devoted to disordered systems. Thus, in this work, we demonstrate the development of neural network models for predicting and interpreting XANES spectra of amorphous carbon (a-C) from local structural descriptors. Comparison between different structural descriptors expectedly shows that the inclusion of both bond length and bond angle information is necessary for an accurate prediction of the spectra. Among the descriptors considered in this work, we find that the local many-body tensor representation yields the highest accuracy and greatest interpretability so that it can be leveraged to understand the importance of structural motifs in determining XANES spectra. Furthermore, we also discuss performance of neural network models for predicting both local structure features, such as bond lengths and bond angles, and global chemical composition, such as the sp:sp 2 :sp 3 ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A graph neural network (GNN) approach to basin-scale river network learning: the role of physics-based connectivity and data fusion

Abstract. Rivers and river habitats around the world are under sustained pressure from human activities and the changing global environment. Our ability to quantify and manage the river states in a timely manner is critical for protecting the public safety and natural resources. In recent years, vector-based river network models have enabled modeling of large river basins at increasingly fine resolutions, but are computationally demanding. This work presents a multistage, physics-guided, graph neural network (GNN) approach for basin-scale river network learning and streamflow forecasting. During training, we train a GNN model to approximate outputs of a high-resolution vector-based river network model; we then fine-tune the pretrained GNN model with streamflow observations. We further apply a graph-based, data-fusion step to correct prediction biases. The GNN-based framework is first demonstrated over a snow-dominated watershed in the western United States. A series of experiments are performed to test different training and imputation strategies. Results show that the trained GNN model can effectively serve as a surrogate of the process-based model with high accuracy, with median Kling–Gupta efficiency (KGE) greater than 0.97. Application of the graph-based data fusion further reduces mismatch between the GNN model and observations, with as much as 50 % KGE improvement over some cross-validation gages. To improve scalability, a graph-coarsening procedure is introduced and is demonstrated over a much larger basin. Results show that graph coarsening achieves comparable prediction skills at only a fraction of training cost, thus providing important insights into the degree of physical realism needed for developing large-scale GNN-based river network models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2018

Supervised Learning Applied to Air Traffic Trajectory Classification

Given the recent increase of interest in introducing new vehicle types and missions into the National Airspace System, a transition towards a more autonomous air traffic control system is required in order to enable and handle increased density and complexity. This paper presents an exploratory effort of the needed autonomous capabilities by exploring supervised learning techniques in the context of aircraft trajectories. In particular, it focuses on the application of machine learning algorithms and neural network models to a runway recognition trajectory-classification study. It investigates the applicability and effectiveness of various classifiers using datasets containing trajectory records for a month of air traffic. A feature importance and sensitivity analysis are conducted to challenge the chosen time-based datasets and the ten selected features. The study demonstrates that classification accuracy levels of 90% and above can be reached in less than 40 seconds of training for most machine learning classifiers when one track data point, described by the ten selected features at a particular time step, per trajectory is used as input. It also shows that neural network models can achieve similar accuracy levels but at higher training time costs.

Bosson, Christabelle S.↗
NASA NTRS2018

Supervised Learning Applied to Air Traffic Trajectory Classification

Given the recent increase of interest in introducing new vehicle types and missions into the National Airspace System, a transition towards a more autonomous air traffic control system is required in order to enable and handle increased density and complexity. This paper presents an exploratory effort of the needed autonomous capabilities by exploring supervised learning techniques in the context of aircraft trajectories. In particular, it focuses on the application of machine learning algorithms and neural network models to a runway recognition trajectory-classification study. It investigates the applicability and effectiveness of various classifiers using datasets containing trajectory records for a month of air traffic. A feature importance and sensitivity analysis are conducted to challenge the chosen time-based datasets and the ten selected features. The study demonstrates that classification accuracy levels of 90% and above can be reached in less than 40 seconds of training for most machine learning classifiers when one track data point, described by the ten selected features at a particular time step, per trajectory is used as input. It also shows that neural network models can achieve similar accuracy levels but at higher training time costs.

Bosson, Christabelle↗
DOE OSTI2020

Quieting a noisy antenna reproduces photosynthetic light-harvesting spectra

Photosynthesis achieves near unity light-harvesting quantum efficiency yet it remains unknown whether there exists a fundamental organizing principle giving rise to robust light harvesting in the presence of dynamic light conditions and noisy physiological environments. Here, we present a noise-canceling network model that relates noisy physiological conditions, power conversion efficiency, and the resulting absorption spectra of photosynthetic organisms. Using light conditions in full solar exposure, light filtered by oxygenic phototrophs, and light filtered under seawater, we derived optimal absorption characteristics for efficient solar power conversion. We show how light-harvesting antennae can be tuned to maximize power conversion efficiency by minimizing excitation noise, thus providing a unified theoretical basis for the observed wavelength dependence of absorption in green plants, purple bacteria, and green sulfur bacteria.

Science & Technology - Other Topics↗
DOE OSTI2024

Average Incremental Cost Pricing for the AC Unit Commitment Problem [Rev. 1]

Unit Commitment (UC) problems that consider the Alternating Current (AC) model of the transmission network have long been considered intractable to solve at scale by the power system community. Recently, the Grid-Optimization (GO) Competition held by the Advanced Research Project Agency-Energy (ARPA-E) has facilitated the development of the first algorithms to solve large-scale ACUC problems. This new capability opens a path towards the explicit consideration of the AC transmission network model in UC problems used to clear day-ahead electricity markets. This calls for the analysis of electricity market structures that accommodate both the continuous non-linearity of the AC transmission network and the discrete non-linearity of the UC problem simultaneously. This paper serves as an initial effort to do so by proposing an Average Incremental Cost (AIC) pricing structure that is designed around the ACUC problem. In particular, an AIC one-pass pricing problem is proposed that represents a continuously constrained variant of the ACUC problem and allows for the computation of Locational Incremental Prices (LIPs) for both real and reactive power as the local optimal Lagrange multipliers of the power balance constraints. To avoid degeneracy, the pricing problem includes a small parameter ϵ > 0. Under certain assumptions market participants are shown to realize profit that converges to a non-negative value as ϵ approaches zero, practically ensuring profitability for small values of ϵ. We additionally provide many simple and important examples that provide intuition and insights into the proposed prices. Examples illustrate the basic concept of AIC pricing, the derived profitability results, the existence of multiple LIPs, the importance of including reactive power in the dispatch and pricing problems, the need for reactive power prices, and the improved incentives exhibited by LIPs as compared to traditional Locational Marginal Prices (LMPs). We additionally indicate many directions for future work including analysis of larger test cases.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Uncertainty quantification for neural network potential foundation models

Abstract For neural network potentials (NNPs) to gain widespread use, researchers must be able to trust model outputs. However, the blackbox nature of neural networks and their inherent stochasticity are often deterrents, especially for foundation models trained over broad swaths of chemical space. Uncertainty information provided at the time of prediction can help reduce aversion to NNPs. In this work, we detail two uncertainty quantification (UQ) methods. Readout ensembling, by finetuning the readout layers of an ensemble of foundation models, provides information about model uncertainty, while quantile regression, by replacing point predictions with distributional predictions, provides information about uncertainty within the underlying training data. We demonstrate our approach with the MACE-MP-0 model, applying UQ to the foundation model and a series of finetuned models. The uncertainties produced by the readout ensemble and quantile methods are demonstrated to be distinct measures by which the quality of the NNP output can be judged.

36 MATERIALS SCIENCE↗