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DOE OSTI2021

Physics-Informed Neural Networks for Heat Transfer Problems

Abstract Physics-informed neural networks (PINNs) have gained popularity across different engineering fields due to their effectiveness in solving realistic problems with noisy data and often partially missing physics. In PINNs, automatic differentiation is leveraged to evaluate differential operators without discretization errors, and a multitask learning problem is defined in order to simultaneously fit observed data while respecting the underlying governing laws of physics. Here, we present applications of PINNs to various prototype heat transfer problems, targeting in particular realistic conditions not readily tackled with traditional computational methods. To this end, we first consider forced and mixed convection with unknown thermal boundary conditions on the heated surfaces and aim to obtain the temperature and velocity fields everywhere in the domain, including the boundaries, given some sparse temperature measurements. We also consider the prototype Stefan problem for two-phase flow, aiming to infer the moving interface, the velocity and temperature fields everywhere as well as the different conductivities of a solid and a liquid phase, given a few temperature measurements inside the domain. Finally, we present some realistic industrial applications related to power electronics to highlight the practicality of PINNs as well as the effective use of neural networks in solving general heat transfer problems of industrial complexity. Taken together, the results presented herein demonstrate that PINNs not only can solve ill-posed problems, which are beyond the reach of traditional computational methods, but they can also bridge the gap between computational and experimental heat transfer.

Engineering↗

DOE OSTI2024

Platform Of Optimal Experiment Management

The platform of optimal experiment management, POEM, powered with automated machine learning to accelerate the discovery of optimal solutions, and automatically guide the design of experiments to be evaluated. POEM currently supports 1) random model explorations for experiment design, 2) sparse grid model explorations with Gaussian Polynomial Chaos surrogate model to accelerate experiment design ,3) time-dependent model sensitivity and uncertainty analysis to identify the importance features for experiment design, 4) model calibrations via Bayesian inference to integrate experiments to improve model performance, and 5) Bayesian optimization for optimal experimental design. In addition, POEM aims to simplify the process of experimental design for users, enabling them to analyze the data with minimal human intervention, and improving the technological output from research activities.

Wang, Congjian [Idaho National Laboratory (INL), I↗

NASA NTRSDate not supplied

Contracting Quality Early in the Lifecycle Using AS9145 Data Deliverables

Development schedules and a highly dynamic supply chain are a challenge to developers of complex systems produced at low volume. Flaws in designs, parts and materials availability problems, poor manufacturability, and a lack of knowledge about critical items and key process attributes can be realized well before traditional second-party quality assurance activities begin. Supplier audits and product inspections may have little mitigating effect once these foundational problems have been realized. Their impacts can be significant lifecycle disruption, cost overruns, inability to deliver to plan, and even project cancellation. AS9145, Requirements for Advanced Product Quality Planning and Production Part Approval Process, can be used to drive quality engineering practices into early development lifecycles to significantly reduce this late-cycle risk and to reduce the cost of quality overall. Since its initial publication in 2016, it has had very limited adoption by the DoD, no adoption by NASA, and sparse adoption in the aerospace and defense supply chain. A task group within the Aerospace Industries Association's (AIA) Joint Strategic Quality Council (JSQC) identified that both acquirers and suppliers see as AS9145 as a cost-adder and are hesitant to use it as an alternative to late-stage-heavy quality assurance approaches. A lack of prior use creates large capability gaps in request-for-proposal (RFP) teams, proposal teams, suppliers’ quality management systems (QMS), and in experienced personnel executing the early lifecycle approach. To create a more realizable on-ramp for using AS9145 in the space and defense sectors, the AIA JSQC task team created five deliverable requirements descriptions (DRDs) that can be used in a contract to begin to engage both parties in early lifecycle quality engineering and quality assurance activities, that reduce exposure to late-stage cost and schedule collapse due to unidentified risks in design, supply chain, and manufacturability. These DRDs drive the parties to engage in planning and analysis discussions early on to understand what production risks can be known and how they will focus resources based on safety criticality and the key elements of design and construction. The suppliers and acquirers who will produce the data and information required by the DRD will be able to incrementally evolve their QMS and the acquirer will incrementally be able to track and understand the benefits of cost shifting from late to early development phases. A white paper describing this approach and the five recommended DRDs will be published by the AIA in late 2024 or early 2025.

Jeannette Plante↗

DOE OSTI2023

Modeling Intercalation Chemistry with Multiredox Reactions by Sparse Lattice Models in Disordered Rocksalt Cathodes

Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate the performance of energy storage. The application of commonly used cluster expansion techniques to model the intercalation thermodynamics of such systems ab initio is challenged by the combinatorial increase in configurational degrees of freedom as the number of species grows. Such challenges necessitate the efficient generation of lattice models without overfitting and proper sampling of the configurational space under the requirement of charge balance in ionic systems. In this work, we introduce a combined approach that addresses these challenges by (1) constructing a robust cluster expansion Hamiltonian using the sparse regression technique, including -norm regularization and structural hierarchy; and (2) implementing semigrand-canonical Monte Carlo to sample charge-balanced ionic configurations using the table-exchange method and an ensemble average approach. These techniques are applied to a disordered rocksalt oxyfluoride (LMNOF) that is part of a family of promising earth-abundant cathode materials. The simulated voltage profile is found to be in good agreement with experimental data and particularly provides a clear demonstration of the and oxygen contributions to the redox potential as a function of content.

25 ENERGY STORAGE↗

DOE OSTI2023

Robust Resilient Signal Reconstruction under Adversarial Attacks

We consider the problem of signal reconstruction for a system under sparse signal corruption by a malicious agent. The reconstruction problem follows the standard error coding problem that has been studied extensively in the literature. We include a new challenge of robust estimation of the attack support. The problem is then cast as a constrained optimization problem merging promising techniques in the area of deep learning and estimation theory. A pruning algorithm is developed to reduce the "false positive" uncertainty of data-driven attack localization results, thereby improving the probability of correct signal reconstruction. Sufficient conditions for the correct reconstruction and the associated reconstruction error bounds are obtained for both exact and inexact attack support estimation. Moreover, a simulation of a water distribution system is presented to validate the proposed techniques.

Robust, Signal reconstruction, Resilient estimator↗

NASA NTRS1976

Quantitative mapping of rainfall rates over the oceans utilizing Nimbus-5 ESMR data

The electrically scanning microwave radiometer (ESMR) data from the Nimbus 5 satellite was used to deduce estimates of precipitation amount over the oceans. An atlas of the global oceanic rainfall was prepared and the global rainfall maps analyzed and related to available ground truth information as well as to large scale processes in the atmosphere. It was concluded that the ESMR system provides the most reliable and direct approach yet known for the estimation of rainfall over sparsely documented, wide oceanic regions.

Rao, M. S. V.↗

NASA NTRS1990

Weather prediction using a genetic memory

Kanaerva's sparse distributed memory (SDM) is an associative memory model based on the mathematical properties of high dimensional binary address spaces. Holland's genetic algorithms are a search technique for high dimensional spaces inspired by evolutional processes of DNA. Genetic Memory is a hybrid of the above two systems, in which the memory uses a genetic algorithm to dynamically reconfigure its physical storage locations to reflect correlations between the stored addresses and data. This architecture is designed to maximize the ability of the system to scale-up to handle real world problems.

Rogers, David↗

NASA NTRS1989

A Cerebellar-model Associative Memory as a Generalized Random-access Memory

A versatile neural-net model is explained in terms familiar to computer scientists and engineers. It is called the sparse distributed memory, and it is a random-access memory for very long words (for patterns with thousands of bits). Its potential utility is the result of several factors: (1) a large pattern representing an object or a scene or a moment can encode a large amount of information about what it represents; (2) this information can serve as an address to the memory, and it can also serve as data; (3) the memory is noise tolerant--the information need not be exact; (4) the memory can be made arbitrarily large and hence an arbitrary amount of information can be stored in it; and (5) the architecture is inherently parallel, allowing large memories to be fast. Such memories can become important components of future computers.

Kanerva, Pentti↗

NASA NTRS2007

Landsat-based Analysis of Mountain Forest-tundra Ecotone Response to Climate Trends in Sayan Mountains

observations of temperatures Siberia has shown a several degree warming over the past 30 years. It is expected that forest will respond to warming at high latitudes through increased tree growth and northward or upward slope migration. migration. Tree response to climate trends is most likely observable in the forest-tundra ecotone, where temperature mainly limits tree growth. Making repeated satellite observations over several decades provides an opportunity to track vegetation response to climate change. Based on Landsat data of the Sayan Mountains, Siberia, there was an increase in forest stand crown closure and an upward tree-line shift in the of the forest-tundra ecotone during the last quarter of the 2oth century,. On-ground observations, supporting these results, also showed regeneration of Siberian pine in the alpine tundra, and the transformation of prostrate Siberian pine and fir into arboreal (upright) forms. During this time period sparse stands transformed into closed stands, with existing closed stands increasing in area at a rate of approx. 1 %/yr, and advancing their upper border at a vertical rate of approx. 1.0 m/yr. In addition, the vertical rate of regeneration propagation is approx. 5 m/yr. It was also found that these changes correlated positively with temperature trends

Kharuk, Viatcheslav I.↗

DOE OSTI2023

Reduced Order Model to Predict Dispersion of Flammable Refrigerant into a Space

As the HVAC&R industry mobilizes to deploy more low-GWP refrigerants, relevant standards are being continually reviewed and updated. Those include the general safety standards ISO 5149 and ASHRAE 15, and the equipment standards IEC and UL. The standards systematically set the allowable maximum amount of refrigerant that should be used in different equipment types and different applications. To do so, they rely on predictions of how a leaked refrigerant mass will disperse into a space. Dispersion characteristics, such as total flammable volume and its residence time, determine the risk associated with the presence of the flammable refrigerant. The standards have included provisions for the use of flammable refrigerants for approximately two decades. They relied on limited analytical analyses and test cases in their development. Dispersion of a refrigerant into a space is complex. Computational fluid dynamics (CFD) are the most accurate in predicting a given problem. However, CFD is computationally expensive and requires specialized expertise and resources and is not suitable for use by standards development working group as prediction tool. This paper presents the development of a reduced order model (ROM) that predicts the key dispersion characteristics relevant to the dispersion of a leaked refrigerant into a space for any combination of input variables. The inputs are the refrigerant release height, the total released refrigerant mass and its release flow rate, the refrigerant molecular weight, the ventilation flow rate, the floor area and height of the space, recirculation air flow rate, and the tightness of the space. The outputs are histograms of volume fraction of the room in prescribed concentration bins and the total mass of the refrigerant in each bin normalized by the total refrigerant charge at 13 prescribed simulation time stamps between 1 and 900 seconds. The ROM is constructed from a set of CFD simulations with carefully chosen combinations of input parameters. The selection if done using a multidimensional sparse grid which is a generalization of the classical tensor approach but offers additional flexibility and thus can be more carefully tuned towards a specific model. The tuning is done to improve the accuracy, measured in the difference between the output values of the ROM and the CFD model, while minimizing the computational cost, measured in number of CFD simulations which is orders of magnitude more expensive than the processing the training data.

Edwards, Dean↗

NASA NTRS2021

FLUXNET-CH4: a global, multi-ecosystem dataset and analysis of methane seasonality from freshwater wetlands

Methane (CH4) emissions from natural landscapes constitute roughly half of global CH4 contributions to the atmosphere, yet large uncertainties remain in the absolute magnitude and the seasonality of emission quantities and drivers. Eddy covariance (EC) measurements of CH4 flux are ideal for constraining ecosystem-scale CH4 emissions due to quasi-continuous and high-temporal-resolution CH4 flux measurements, coincident carbon dioxide, water, and energy flux measurements, lack of ecosystem disturbance, and increased availability of datasets over the last decade. Here, we (1) describe the newly published dataset, FLUXNET-CH4 Version 1.0, the first open-source global dataset of CH4 EC measurements (available at https://fluxnet.org/data/fluxnet-ch4-community-product/, last access: 7 April 2021). FLUXNET-CH4 includes half-hourly and daily gap-filled and non-gap-filled aggregated CH4 fluxes and meteorological data from 79 sites globally: 42 freshwater wetlands, 6 brackish and saline wetlands, 7 formerly drained ecosystems, 7 rice paddy sites, 2 lakes, and 15 uplands. Then, we (2) evaluate FLUXNET-CH4 representativeness for freshwater wetland coverage globally because the majority of sites in FLUXNET-CH4 Version 1.0 are freshwater wetlands which are a substantial source of total atmospheric CH4 emissions; and (3) we provide the first global estimates of the seasonal variability and seasonality predictors of freshwater wetland CH4 fluxes. Our representativeness analysis suggests that the freshwater wetland sites in the dataset cover global wetland bioclimatic attributes (encompassing energy, moisture, and vegetation-related parameters) in arctic, boreal, and temperate regions but only sparsely cover humid tropical regions. Seasonality metrics of wetland CH4 emissions vary considerably across latitudinal bands. In freshwater wetlands (except those between 20°S to 20°N) the spring onset of elevated CH4 emissions starts 3 d earlier, and the CH4 emission season lasts 4 d longer, for each degree Celsius increase in mean annual air temperature. On average, the spring onset of increasing CH4 emissions lags behind soil warming by 1 month, with very few sites experiencing increased CH4 emissions prior to the onset of soil warming. In contrast, roughly half of these sites experience the spring onset of rising CH4 emissions prior to the spring increase in gross primary productivity (GPP). The timing of peak summer CH4 emissions does not correlate with the timing for either peak summer temperature or peak GPP. Our results provide seasonality parameters for CH4 modeling and highlight seasonality metrics that cannot be predicted by temperature or GPP (i.e., seasonality of CH4 peak). FLUXNET-CH4 is a powerful new resource for diagnosing and understanding the role of terrestrial ecosystems and climate drivers in the global CH4 cycle, and future additions of sites in tropical ecosystems and site years of data collection will provide added value to this database. All seasonality parameters are available at https://doi.org/10.5281/zenodo.4672601 (Delwiche et al., 2021). Additionally, raw FLUXNET-CH4 data used to extract seasonality parameters can be downloaded from https://fluxnet.org/data/fluxnet-ch4-community-product/ (last access: 7 April 2021), and a complete list of the 79 individual site data DOIs is provided in Table 2 of this paper.

FLUXNET-CH4↗

DOE OSTI2020

The Sporadic History of Rubidium and its Role in Corrosion of Steel Related to Nuclear Material Storage

The influence of rubidium (Rb), both in its metallic and oxidized states, on the corrosion resistance of steels has direct relevance to the storage of radioactive Kr-85 containing nuclear materials. Kr-85 undergoes a ß-decay to generate stable, metallic Rb. The literature to date is sparse, contained primarily in company reports and divisive as to whether Rb metal, or its oxides, can lead to corrosion of steel materials. In both the direct storage of Kr-85 and used nuclear fuel that will contain Kr-85, if Rb is corrosive then continual decay of the Kr-85 will generate an increasingly corrosive environment for the steel canister it is stored in. This review was written to consolidate the known data to date on Rb corrosion of steels to identify consistencies, contradictions and remaining gaps in our understanding of the Rb : steel system.

krypton, corrosion, steel, Rubidium↗

DOE OSTI2025

SymProp: Scaling Sparse Symmetric Tucker Decomposition via Symmetry Propagation

Sparse symmetric tensors are an important class of tensors, and their decompositions serve as powerful tools for revealing low-rank structures. This paper introduces SymProp, a novel approach for scaling sparse symmetric Tucker decomposition by propagating symmetry through intermediate computations. SymProp optimizes two key computational kernels: Sparse Symmetric Tensor Times Same Matrix chain (S3 TTMc) for Higher-Order Orthogonal Iteration (HOOI) and Sparse Symmetric Tensor Times Same Matrix chain Times Core (S3 TTMcTC) for Higher-Order QR Iteration (HOQRI). Our method employs a metaprogramming-based index iteration approach to efficiently handle the upper triangular parts of intermediate dense symmetric tensors. SymProp achieves up to 50.9× speedup over SPLATT and up to 360.8× over Compressed Sparse Symmetric (CSS) format on the S3 TTMc operation. Moreover, our S3 TTMc and S3 TTMcTC implementations support tensor orders four levels higher than state-of-the-art methods. Our HOQRI demonstrates superior scalability and up to a 33.6× speedup over optimized HOOI. By enabling more scalable Tucker decompositions for higher orders, decomposition ranks, and dimension sizes, SymProp opens new possibilities for analyzing complex hypergraph structures in fields such as network science, data mining, and machine learning.

Li, Zecheng [North Carolina State University]↗

DOE OSTI2023

AmeriFlux FLUXNET-1F US-KS1 Kennedy Space Center (slash pine)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-KS1 Kennedy Space Center (slash pine). This is the FLUXNET version of the carbon flux data for the site US-KS1 Kennedy Space Center (slash pine) produced by applying the standard ONEFlux (1F) software. Site Description - The Kennedy Space Center Slash Pine Flatwoods site is located in the Merritt Island National Wildlife Refuge at the Kennedy Space Center (KSC) on the east coast of central Florida. Occupying 310 ha of local forest, the slash pine flatwoods ecosystem is managed as an uneven-aged stand with a sparsely populated overstory and a dense oak-dominated understory. Disturbances tend to occur on a 7 to 10 year cycle, mostly related to fire or hurricane activity. Prescribed fires have been conducted since 1969 to control understory fuel. The most recent burn was conducted in February of 1995. Following the burn, the stand was allowed to naturally regenerate into a open canopy of slash pines, less than 15% of canopy coverage ( on the order of 15-30 trees per ha), with a understory mostly composed of saw palmetto and scrub oak. There was a seasonally wet swale to the southeast that was on the margin of the flux tower footprint. A severe drought gripped most of Florida beginning in 1998 until the later half of 2001 resulting in four years of relatively low annual precipitation totals. Exceptionally high annual rainfall amounts in 2004 were the result of a pair of hurricanes that hit the area in August and September of 2004. Wind directions for the site are as follows: W and NW in the winter, afternoon E sea breeze in the summer.

Drake, Bert↗

NASA NTRS2021

Interpretation of Zerodur® Strength Data

Recent, detailed fractographic analysis of Zerodur® strength test specimens prepared by linear grinding and etching with a proprietary process indicated low frequency damage to be the strength limiting defects Recent, detailed fractographic analysis of Zerodur® strength test specimens prepared by linear grinding and etching with a proprietary process indicated low frequency damage to be the strength limiting defects [1]. The 2-parameter Weibull distribution is usually assumed when working with ceramic and glasses such as Zerodur®, although 3-parameter behavior is occasionally considered [2]. Detailed statistical modeling of the Zerodur® strength data with the was initial perspective of a 3-parameter Weibull distribution gave unsatisfying results [3]. The subsequent fractographic investigation indicated [1] that the usual assumption of many small, random, noninteracting flaws [4] was not represented, but instead, less frequent, aligned flaws along etching ridges parallel to the grinding direction were present, Figure 1. It was thus concluded that the strength of Zerodur® as prepared was not Weibull distributed. The flaws represent a sparse flaw population relative to typical grinding damage, but an extensive occurrence (high frequency) of handling damage. We examine the type of distribution present and explain the appearance of a 3-parameter distribution.

Glass, ceramic, strength, Weibull, distribution, m↗

DOE OSTI2022

Forecasted Dynamic Line Ratings for Regional Transmission Lines

This report was prepared for the Wind Energy Technology Office for the FY 2022, quarter 3 deliverable. This details the use of forecasted dynamic line rating as an improvement over static rating for three transmission lines in three regions of interest. A selection of wind plants across Idaho, the Columbia River Gorge and offshore wind in the NYSERDA territory were modeled for their concurrent cooling effects for dynamic line rating. Regional transmission lines for the wind plant interconnections were determined and a CFD domain was created to determine local wind flows over the lines. A dynamic line rating for each of the lines was calculated for both weather observation data and HRRR model forecast data. The comparison of peaks in the wind power production were compared to the DLR peaks. It was determined that for shorter regional transmission lines, the effect of concurrent cooling that commonly occur with gen-tie lines were still valid. Concurrent cooling effects drop as the length of the regional transmission lines increase in distance from the wind plants. In addition, the accuracy of the forecasted ampacity to the weather observation data for ampacity was assessed. In general, the accuracy was best for the INL region with the NOAA-maintained sites. The Columbia River Gorge and Long Island sites showed similar levels of accuracy for the forecasted DLR. The accuracy levels were around 11% for the INL region, 15% for Columbia River Gorge and 7% for New York Long Island. The higher error for the Columbia Gorge region is likely due to the sparse availability of weather stations available, whereas both the INL site and Long Island are well instrumented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Joint state-parameter estimation for the reduced fracture model via the united filter

Here, in this paper, we introduce an effective United Filter method for jointly estimating the solution state and physical parameters in flow and transport problems within fractured porous media. Fluid flow and transport in fractured porous media are critical in subsurface hydrology, geophysics, and reservoir geomechanics. Reduced fracture models, which represent fractures as lower-dimensional interfaces, enable efficient multi-scale simulations. However, reduced fracture models also face accuracy challenges due to modeling errors and uncertainties in physical parameters such as permeability and fracture geometry. To address these challenges, we propose a United Filter method, which integrates the Ensemble Score Filter (EnSF) for state estimation with the Direct Filter for parameter estimation. EnSF, based on a score-based diffusion model framework, produces ensemble representations of the state distribution without deep learning. Meanwhile, the Direct Filter, a recursive Bayesian inference method, estimates parameters directly from state observations. The United Filter combines these methods iteratively: EnSF estimates are used to refine parameter values, which are then fed back to improve state estimation. Numerical experiments demonstrate that the United Filter method surpasses the state-of-the-art Augmented Ensemble Kalman Filter, delivering more accurate state and parameter estimation for reduced fracture models. This framework also provides a robust and efficient solution for PDE-constrained inverse problems with uncertainties and sparse observations.

Bayesian inference↗

NASA NTRS2019

Mapping the Interstellar Reddening and Extinction toward Baade's Window Using Minimum Light Colors of ab-type RR Lyrae Stars: Revelations from the De-reddened Color–Magnitude Diagrams

We have obtained repeated images of six fields toward the Galactic bulge in five passbands (u, g, r, i, z) with the DECam imager on the Blanco 4 m telescope at CTIO. From more than 1.6 billion individual photometric measurements in the field centered on Baade’s window, we have detected 4877 putative variable stars. A total of 474 of these have been confirmed as fundamental mode RR Lyrae stars, whose colors at minimum light yield line-of- sight reddening determinations, as well as a reddenning law toward the Galactic Bulge, which differs significantly from the standard R(V) = 3.1 formulation. Assuming that the stellar mix is invariant over the 3 square-degree field, we are able to derive a line-of-sight reddening map with sub-arcminute resolution, enabling us to obtain de-reddened and extinction corrected color–magnitude diagrams (CMDs) of this bulge field using up to 2.5 million well-measured stars. The corrected CMDs show unprecedented detail and expose sparsely populated sequences: for example, delineation of the very wide red giant branch, structure within the red giant clump, the full extent of the horizontal branch, and a surprising bright feature that is likely due to stars with ages younger than 1 Gyr. We use the RR Lyrae stars to trace the spatial structure of the ancient stars and find an exponential decline in density with Galactocentric distance. We discuss ways in which our data products can be used to explore the age and metallicity properties of the bulge, and how our larger list of all variables is useful for learning to interpret future LSST alerts.

Abhijit Saha↗