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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 127 records · Page 7

Bayesian operator inference for data-driven reduced-order modeling

This work proposes a Bayesian inference method for the reduced-order modeling of time-dependent systems. Informed by the structure of the governing equations, the task of learning a reduced-order model from data is posed as a Bayesian inverse problem with Gaussian prior and likelihood. The resulting posterior distribution characterizes the operators defining the reduced-order model, hence the predictions subsequently issued by the reduced-order model are endowed with uncertainty. The statistical moments of these predictions are estimated via a Monte Carlo sampling of the posterior distribution. Since the reduced models are fast to solve, this sampling is computationally efficient. Furthermore, the proposed Bayesian framework provides a statistical interpretation of the regularization term that is present in the deterministic operator inference problem, and the empirical Bayes approach of maximum marginal likelihood suggests a selection algorithm for the regularization hyperparameters. The proposed method is demonstrated on two examples: the compressible Euler equations with noise-corrupted observations, and a single-injector combustion process.

97 MATHEMATICS AND COMPUTING↗

KaRMMa – kappa reconstruction for mass mapping

ABSTRACT We present KaRMMa, a novel method for performing mass map reconstruction from weak-lensing surveys. We employ a fully Bayesian approach with a physically motivated lognormal prior to sample from the posterior distribution of convergence maps. We test KaRMMa on a suite of dark matter N-body simulations with simulated DES Y1-like shear observations. We show that KaRMMa outperforms the basic Kaiser–Squires mass map reconstruction in two key ways: (1) our best map point estimate has lower residuals compared to Kaiser–Squires; and (2) unlike the Kaiser–Squires reconstruction, the posterior distribution of KaRMMa maps is nearly unbiased in all summary statistics we considered, namely: one-point and two-point functions, and peak/void counts. In particular, KaRMMa successfully captures the non-Gaussian nature of the distribution of κ values in the simulated maps. We further demonstrate that the KaRMMa posteriors correctly characterize the uncertainty in all summary statistics we considered.

79 ASTRONOMY AND ASTROPHYSICS↗

AGS-GNN: Attribute-guided Sampling for Graph Neural Networks

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs) that exploits node features and connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs. (In homophilic graphs vertices of the same class are more likely to be connected, and vertices of different classes tend to be linked in heterophilic graphs.) While GNNs have been successfully applied to homophilic graphs, their application to heterophilic graphs remains challenging. The best-performing GNNs for heterophilic graphs do not fit the sampling paradigm, suffer high computational costs, and are not inductive. We employ samplers based on feature-similarity and feature-diversity to select subsets of neighbors for a node, and adaptively capture information from homophilic and heterophilic neighborhoods using dual channels. Currently, AGS-GNN is the only algorithm that we know of that explicitly controls homophily in the sampled subgraph through similar and diverse neighborhood samples. For diverse neighborhood sampling, we employ submodularity, which was not used in this context prior to our work. The sampling distribution is pre-computed and highly parallel, achieving the desired scalability. Using an extensive dataset consisting of 35 small (<=100K nodes) and large (>100K nodes) homophilic and heterophilic graphs, we demonstrate the superiority of AGS-GNN compare to the current approaches in the literature. AGS-GNN achieves comparable test accuracy to the best-performing heterophilic GNNs, even outperforming methods using the entire graph for node classification. AGS-GNN also converges faster compared to methods that sample neighborhoods randomly, and can be incorporated into existing GNN models that employ node or graph sampling.

artificial intelligence↗

A Multi-Site Networked Hardware-in-Loop Platform for Evaluation of Interoperability and Distributed Intelligence at Grid-Edge

Electric power systems have experienced large increases in the number of intelligent, connected and controllable devices being deployed, leading to a high degree of distributed intelligence at the grid-edge. These devices, both utility-owned and consumer-owned, include but are not limited to: renewable generation sources, energy storage, remote switches, voltage regulators, and smart controllable loads such as electric vehicles. These new devices provide significant potential for increased operational flexibility that can be leveraged to achieve system reconfiguration, resiliency improvements, power quality improvements, and distribution system automation. However, there are two significant challenges that must be addressed before these assets can be leveraged for operations: interoperability and system level validation prior to deployment. Because of the complexity of distributed control systems, and their interactions with legacy centralized controls, a purely simulations-based approach for pre-deployment validation is not sufficient. It requires hardware-in-loop testing to emulate the operational hardware devices and evaluate their performance. Additionally, securely integrating multiple test facilities at utility operators and vendors might enable rapid scale-up of evaluation platforms, and remove the need for multiple expensive standalone installations. Presented in this paper, is the development of a multi-site evaluation platform that employs Advanced Distribution Management Systems (ADMS), distributed control devices, real-time hardware-in-loop assets, secure communication links, and protocol adapters. This platform uses standards-based approaches and open-source tools, and hence can serve as a template for other researchers and institutions to implement their multi-site evaluation frameworks for pre-deployment testing.

Essakiappan, Somasundaram↗

Exploring the Landscape of Distributed Graph Clustering on Leadership Supercomputers

The rapid growth of large-scale datasets in fields like biology and social networks has driven the need for advanced graph analytics techniques. Community detection, a fundamental task in graph analytics, identifies closely connected groups of nodes within a network, providing valuable insights across various disciplines. This study focuses on two classic community detection methods, the Louvain algorithm and Markov Clustering (MCL), and evaluates the performance of two prominent distributed community detection algorithms: HiPDPL-GPU, our prior implementation, and HipMCL. We conduct experiments on GPU-accelerated heterogeneous HPC systems, Summit and Frontier, to assess their performance under varying conditions. Our objective is to identify the strengths and weaknesses of these algorithms in terms of scalability, and quality of solutions. We evaluate these algorithms on a diverse set of 70+ networks spanning 13 domains, with sizes ranging up to 4.2 billion edges. Our results demonstrate that HiPDPL-GPU consistently outperforms HipMCL, especially for large-scale networks. HiPDPL-GPU achieves significantly faster runtimes (47x to 1439x), higher modularity scores, and improved scalability. These findings highlight HiPDPL-GPU as a promising solution for efficient and effective large-scale graph analytics in diverse application domains, and provide insights into the feasibility of using MCL-based approaches for certain application domains.

Community detection, graph algorithms↗

Single Gaussian process method for arbitrary tokamak regimes with a statistical analysis

Abstract Gaussian process regression is a Bayesian method for inferring profiles based on input data. The technique is increasing in popularity in the fusion community due to its many advantages over traditional fitting techniques including intrinsic uncertainty quantification and robustness to over-fitting. This work investigates the use of a new method, the change-point method, for handling the varying length scales found in different tokamak regimes. The use of the Student’s t-distribution for the Bayesian likelihood probability is also investigated and shown to be advantageous in providing good fits in profiles with many outliers. To compare different methods, synthetic data generated from analytic profiles is used to create a database enabling a quantitative statistical comparison of which methods perform the best. Using a full Bayesian approach with the change-point method, Matérn kernel for the prior probability, and Student’s t-distribution for the likelihood is shown to give the best results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Denoising Seismograms in the Time Domain Using a Deep Learning Model

Deep learning has emerged as a transformative tool for enhancing the extraction of reliable information from seismograms, addressing the increasing demand for precise and efficient seismic data analysis. We introduce an innovative encoder–decoder deep learning model, named WaveDenoiser, designed for noise reduction in the time domain, thereby eliminating the need for spectrogram computations that have been used for existing deep learning tools and significantly improving processing speed. Utilizing the benchmark dataset that is Stanford Earthquake Dataset, we developed three models of varying sizes: base, medium, and large. Notably, the large (referred to as WaveDenoiser) model demonstrated superior performance, achieving a median signal‐to‐noise ratio improvement of 8.8 dB on in‐distribution unseen data (in the same geographic region) and 7.7 dB on out‐distribution unseen data (in a new geographic region), outpacing both the base and medium models. Further evaluation of the WaveDenoiser model revealed a reduction in median arrival‐time errors by 0.02 s for P waves and 0.01 s for S waves when processing waveforms prior to phase picking using PhaseNet on in‐distribution unseen data. When tested on out‐distribution unseen data, the model also effectively reduced the P‐wave median arrival‐time error by 0.02 and 0.01 s in median arrival‐time error for S waves. Importantly, the application of WaveDenoiser resulted in a significant reduction of phase picking outliers by 1.1% to 3.6% for both P and S waves. In addition, we achieved over five times acceleration in processing speed compared with the seisBench implementation of DeepDenoiser. Our findings underscore the potential of WaveDenoiser as a powerful tool for improving seismic data analysis and processing efficiency.

P-waves↗

A multi-agent approach to distribution system fault section estimation in smart grid environment

We report that Multi-Agent Systems (MAS) are seen from different areas as one of the paramount trends for the next generation of power systems. Numerous published studies about MAS discuss its utilization in power distribution networks but none focuses on the prior step to restoration and self-healing that is fault section estimation. This paper aims to show how MAS can improve the utilities’ reliability indexes and consumer satisfaction by overcoming the multiple fault section estimation problem. In order to do this, the authors considered using MAS as a means of communication between smart meters. The purpose of smart meters usage is to employ devices that are already present in smart grids, mainly because of their reading and saving data capacity. The proposed method was tested on a radial feeder generated by the authors. The network was built on HYPERSIM, a software platform of OPAL-RT Technologies. The simulation results show that this MAS provides speed, efficiency, and automation for the process of fault section estimation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Validation and Verification of TEDS Facility HYBRID Modeling

The HYBRID modeling repository is an in-house developed library of models for selected integrated energy systems (IES) modelling. HYBRID models have been developed since 2015 to describe the physical operation of tightly coupled thermal systems including power generators, thermal transport systems, thermal storage, thermal-to-electric conversion systems, and other thermal applications. Here, validation and verification (V&V) capabilities are demonstrated using the Thermal Energy Distribution System (TEDS) at INL. Building upon prior work, the TEDS model has been updated and verified so that it better represents the installed system configuration and the operating control system. The model control system was changed to allow replication of actual experimental procedures. Experimental operations focusing primarily on thermocline tank performance were devised and performed. Several anomalies were found in the operation data of the experiment facility. V&V activities calibrating a selected input parameter are demonstrated on a single component as well as with a single parameter within the thermocline. Calibrating is then demonstrated on multiple components and a multi-parameter metric for the entire system. The validation methodology is successfully applied to validate the model with experimental data. It is also used to confirm a hypothesis behind one of the anomalies in experimental performance.

25 ENERGY STORAGE↗

Microstructure effects on fatigue crack growth in additively manufactured Ti–6Al–4V

In this article we investigate the relationship between the different microstructural features in additively-manufactured (AM) Direct Metal Laser Deposited Ti–6Al–4V alloys and the observed fatigue and fracture behaviors, using high resolution Digital Image Correlation experiments and microstructural imaging. Fatigue cracks in the AM specimens were observed to periodically propagate parallel to the α' laths and deflect at prior β grain boundaries. Corresponding plastic strain distributions show needle-like regions of high strain that correlated to the α' laths, suggesting significant influence of the microstructure on the plastic zone. In many cases, the fatigue cracks also propagated towards voids from unsintered powder or gas entrapment in the vicinity. In several experiments, premature failure of the AM specimens occurred under monotonic fracture or cyclic fatigue loading, which we attribute to the presence of void clusters located near the crack-tip. These fatigue and fracture characteristics were similar for AM specimens of different build-orientations.

36 MATERIALS SCIENCE↗

X-ray photoelectron spectroscopy of surfactants on sub-micron aqueous aerosols

Organic molecules at the aqueous interfaces of droplets and aerosols can influence multiphase chemistry and cloud condensation nuclei activity. While surface tension measurements on flat surfaces are commonly used to quantify organic partitioning and structure, extending these measurements to more realistic aerosols that might exist in metastable, supercooled and supersaturated states remains a challenge. Here, we use aerosol velocity map imaging X-ray photoelectron spectroscopy (A-VMI-XPS), a surface-sensitive and in situ technique, to study the partitioning and structure of a model surfactant (n-octyl β-D-thioglucopyranoside, OTG) in submicron aqueous aerosols with a mean radius of 116 nm. After accounting for finite size effects and evaporative cooling, we find the bulk concentrations of OTG in the aerosol are depleted 600-fold relative to macroscopic solutions. At the low temperatures of the experiment (ca. ∼188 K), we obtain a Langmuir equilibrium constant of 700 m3 mol-1, which corresponds to 4.9 m3 mol-1 at room temperature; a value that is consistent with prior literature reports. Analysis of photoelectron angular distributions, peak areas, and secondary electron escape barriers indicates a transition from a disordered surfactant layer at low [OTG] to a more structured layer at high [OTG]. These results link macroscopic surface tension measurements to nanoparticle surfactant behavior and demonstrate the utility of A-VMI-XPS in probing surfactant coating structure on free aerosols, with implications for understanding the impact of organic coatings on cloud formation and atmospheric chemistry.

Deal, Alexandra M↗

Analytic stability boundaries for compressional and global Alfvén eigenmodes driven by fast ions. I. Interaction via ordinary and anomalous cyclotron resonances

Conditions for net fast ion drive are derived for beam-driven, sub-cyclotron compressional (CAE) and global (GAE) Alfvén eigenmodes, such as those routinely observed in spherical tokamaks such as NSTX(-U) and MAST. Both co- and counter-propagating CAEs and GAEs are investigated, driven by the ordinary and anomalous Doppler-shifted cyclotron resonance with fast ions. Whereas prior results were restricted to vanishingly narrow distributions in velocity space, broad parameter regimes are identified in this work which enable an analytic treatment for realistic fast ion distributions generated by neutral beam injection. The simple, approximate conditions derived in these regimes for beam distributions of realistic width compare well to the numerical evaluation of the full analytic expressions for fast ion drive. Additionally, previous results in the very narrow beam case are corrected and generalized to retain all terms in ω/ω ci and |k ∥ /k ⊥ |, which are often assumed to be small parameters but can significantly modify the conditions of drive and damping when they are non-negligible. Lastly, favorable agreement is demonstrated between the approximate stability criterion, simulation results, and a large database of NSTX observations of cntr-GAEs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ameliorating Global Challenges: Globalization, Geopolitics, Basic & Applied Research, and Research Security

We are confronted with a myriad of global challenges, from extreme weather events, occurring at higher frequencies than at any point in history, to pollution, food insecurity, clean water shortages, and fundamentally limited natural resources and materials. The largest number of people inhabit our planet today and enjoy the highest standard of living - though not equally distributed across the world - compared to any prior moment in history. To sustain this quality of life, we are largely reliant on fossil fuel sources, which are responsible for more greenhouse gas emissions by weight each day than the collective weight of all humans that inhabit the planet. Ameliorating these global challenges will require elements of solutions that include advances in basic and applied research, innovative global engineering, materials discovery, new technologies, manufacturing at scale, resilient and adaptable infrastructure, carbon-free energy sources and storage technologies, and new supply chain networks and markets. Success will require constructive collaborative efforts between researchers in countries located in every continent of this planet. For any of these goals to be realized in a timely fashion, geopolitical leaders must become better educated about this existential challenge and incentivized to act.

applied research↗

Elastic distributed training with fast convergence and efficient resource utilization

Distributed learning is now routinely conducted on cloud as well as dedicated clusters. Training with elastic resources brings new challenges and design choices. Prior studies focus on runtime performance and assume a static algorithmic behavior. In this work, by analyzing the impact of of resource scaling on convergence, we introduce schedules for synchronous stochastic gradient descent that proactively adapt the number of learners to reduce training time and improve convergence. Our approach no longer assumes a constant number of processors throughout training. In our experiment, distributed stochastic gradient descent with dynamic schedules and reduction momentum achieves better convergence and significant speedups over prior static ones. Numerous distributed training jobs running on cloud may benefit from our approach.

Cong, Guojing↗

A Retrospective Analysis of Distributed Solar Interconnection Timelines and Related State Mandates

Most distributed residential photovoltaic (PV) systems must secure an interconnection agreement prior to operation that ensures the local electrical system will operate safely within the broader electrical grid. PV installers generally submit an interconnection application to the local utility that provides all the necessary details the utility needs to evaluate the proposed system. To encourage timely execution of this process, many states’ utility commissions have established mandates that limit the maximum number of days allowed for utility review and approval of interconnection for certain small, often residential applications. In this paper, we derive the median and range of cycle times for the pre-installation approval phase of the interconnection process (i.e., from application submission to approval by the utility) across 24 U.S. states, using a data set of approximately 170,000 projects. We evaluate the percentage of projects that are approved within respective state-mandated timelines from 2017– 2019. We further evaluate how timelines have evolved since 2012 for a subset of five states: Arizona, California, Colorado, New Jersey, and New York. The analyses are divided into two size ranges: systems that are ≤10 kilowatts (kW), and systems that are 11–50 kW.

14 SOLAR ENERGY↗

Sequential ensemble transform for Bayesian inverse problems

In this work, we present the Sequential Ensemble Transform (SET) method, an approach for generating approximate samples from a Bayesian posterior distribution. The method explores the posterior distribution by solving a sequence of discrete optimal transport problems to produce a series of transport plans which map prior samples to posterior samples. We prove that the sequence of Dirac mixture distributions produced by the SET method converges weakly to the true posterior as the sample size approaches infinity. Furthermore, our numerical results indicate that, when compared to standard Sequential Monte Carlo (SMC) methods, the SET approach is more robust to the choice of Markov mutation kernels and requires less computational efforts to reach a similar accuracy when used to explore complex posterior distributions. Finally, we describe adaptive schemes that allow to completely automate the use of the SET method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Far-field thermal imaging below diffraction limit

Non-uniform self-heating and temperature hotspots are major concerns compromising the performance and reliability of submicron electronic and optoelectronic devices. At deep submicron scales where effects such as contact-related artifacts and diffraction limits accurate measurements of temperature hotspots, non-contact thermal characterization can be extremely valuable. In this work, we use a Bayesian optimization framework with generalized Gaussian Markov random field (GGMRF) prior model to obtain accurate full-field temperature distribution of self-heated metal interconnects from their thermoreflectance thermal images (TRI) with spatial resolution 2.5 times below Rayleigh limit for 530nm illumination. Finite element simulations along with TRI experimental data were used to characterize the point spread function of the optical imaging system. In addition, unlike iterative reconstruction algorithms that use ad hoc regularization parameters in their prior models to obtain the best quality image, we used numerical experiments and finite element modeling to estimate the regularization parameter for solving a real experimental inverse problem.

42 ENGINEERING↗

Background-Oriented Schlieren Velocimetry of Helium Coolant Flow in Additively Manufactured Channels

High-pressure helium gas cooling is an attractive solution for thermal management of the fusion blanket first wall, as this coolant is chemically and neutronically inert and separable from hydrogenic species. However, due to the low thermal mass of helium, geometric optimization of these channels is required to provide sufficient cooling at manageable flow rates and pumping burdens. Increasingly, analysis and optimization of these coolant channels rely on computational fluid dynamics (CFD) simulations, and these require relevant experimental data for turbulence model validation. Toward this end, a high-pressure helium gas flow visualization system has been employed to image the flow of helium in flow channels with one-sided heating, mimicking the blanket first wall environment. Flow of helium at 4 MPa pressure and flow rates up to 68 g/s (Reynolds number 57 000) is supplied to rectangular channel test sections, with uniform heating applied to the bottom wall of the channel at heat fluxes varied between roughly 50 and 130 kW/m2. A high-speed camera is used to image index of refraction (IOR) gradients in the fluid via background-oriented schlieren (BOS), and temperature and pressure instrumentation are used to characterize thermal-hydraulic performance of each channel. Cross correlation of time-resolved BOS images is then used to calculate time-averaged 2-D helium velocity fields. Flow in additively manufactured (AM) channels is examined in this manner, including both featureless channels and those containing baffling as a heat transfer enhancement. The flow distribution seen in the featureless case differs significantly from that seen in prior simulations, whereas the flow in the baffled case shows the predicted behavior of flow forced along the heated wall. This augmented flow distribution is seen to increase the heat transfer coefficient in the baffled test section. Here, strategies are discussed for ongoing and future validation of these simulations, with the aim of model deployment for blanket cooling design and optimization.

Additive manufacturing↗