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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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435 records · Page 25

Embedded symmetric positive semi-definite machine-learned elements for reduced-order modeling in finite-element simulations with application to threaded fasteners

Here, we present a machine-learning strategy for finite element analysis of solid mechanics wherein we replace complex portions of a computational domain with a data-driven surrogate. In the proposed strategy, we decompose a computational domain into an “outer” coarse-scale domain that we resolve using a finite element method (FEM) and an “inner” fine-scale domain. We then develop a machine-learned (ML) model for the impact of the inner domain on the outer domain. In essence, for solid mechanics, our machine-learned surrogate performs static condensation of the inner domain degrees of freedom. This is achieved by learning the map from displacements on the inner-outer domain interface boundary to forces contributed by the inner domain to the outer domain on the same interface boundary. We consider two such mappings, one that directly maps from displacements to forces without constraints, and one that maps from displacements to forces by virtue of learning a symmetric positive semi-definite (SPSD) stiffness matrix. We demonstrate, in a simplified setting, that learning an SPSD stiffness matrix results in a coarse-scale problem that is well-posed with a unique solution. We present numerical experiments on several exemplars, ranging from finite deformations of a cube to finite deformations with contact of a fastener-bushing geometry. We demonstrate that enforcing an SPSD stiffness matrix drastically improves the robustness and accuracy of FEM–ML coupled simulations, and that the resulting methods can accurately characterize out-of-sample loading configurations with significant speedups over the standard FEM simulations.

97 MATHEMATICS AND COMPUTING↗

Self-Sustainable IoT-Based Remote Sensing Powered by Energy Harvesting Using Stacked Piezoelectric Transducer and Thermoelectric Generator

We propose a self-powered remote multi-sensing system for traffic sensing which is powered by the collective energy harvested from the mechanical vibration of the road caused by the passing vehicles and from the temperature gradient between the asphalt of the road and the soil underneath. A stacked piezoelectric transducer converts mechanical vibrations into electrical energy and a thermoelectric generator harvests the thermal energy from the thermal gradient. Electrical energy signals from the stacked piezoelectric transducer and the thermoelectric generators are converted into usable DC power to recharge the battery using AC-DC and DC-DC converters working simultaneously. The multi-sensing system comprises an embedded system with a microcontroller that acquires data from the sensors and sends the sensory data to an IoT transceiver which transmits the data as RF packets to an ethernet gateway. The gateway converts the RF packets into Internet Protocol (IP) packets and sends them to a remote server. Laboratory and road-testing results showed over 98% sensory data accuracy with the system functioning solely powered by the energy harvested from the alternative energy sources. The successful maximum transmission distance obtained between the IoT, and the gateway was approximately 1 mile, which is a considerable transmission distance achieved in an urban environment. Successful operation of the self-powered multi-sensing system under both laboratory and road conditions contributes considerably to the fields of energy harvesting and self-powered remote sensing systems. The energy flow chart and efficiency for the steps in the system were found to be mechanical power from vehicles to the energy harvester of 0.25%, stacked PZT transducer efficiency was found to be 37%, and for the TEGs the efficiency is 11%. AC-to-DC and DC-to-DC converters’ efficiencies were found to be 90% and 11%. The wireless communication RF transceiver efficiency was found to be 62.5%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Deciphering the Solvation Structure of Aqueous ZnCl 2 Solutions from X-ray Absorption Spectra Using the Interpretable Graph Neural Network

Machine learning (ML) provides powerful pathways for predicting spectroscopic observables from atomic structures, but its broader impact depends on making model predictions interpretable in terms of physical and chemical principles. Here, we introduce a physics-guided graph neural network (GNN) model that predicts Zn K-edge X-ray spectroscopy (XAS) spectra of aqueous ZnCl 2 solutions. Training data are generated from ab initio XAS calculations on molecular dynamics snapshots obtained using a machine learning interatomic potential. The GNN reproduces experimental spectra across concentrations from dilute (<0.1 m) to highly concentrated (30 m, “water-in-salt”) regimes and scales efficiently to large, disordered liquid systems beyond the reach of conventional ab initio approaches. Gradient-based attribution analysis reveals that the model learns physically meaningful structure-spectrum relationships. Ligand-specific attributions reflect orbital hybridization patterns and the origin of the excitations derived from the density functional theory. Bond-length attributions recover spectral shifts consistent with multiple-scattering theory. Finally, this work bridges data-driven prediction with electronic-structure theory, establishing a general paradigm for interpretable ML that links atomic structure, electronic structure, and spectroscopic observables.

25 ENERGY STORAGE↗