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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Incorporation of Ion Transport Chains into Multivariate MOF for Improved Water Oxidation

The climate crisis demands clean energy technologies to cut CO 2 emissions from fossil fuels. Hydrogen fuel cells and solar-driven CO 2 reduction are promising, but both rely on efficient water oxidation. Polypyridyl ruthenium complexes are active catalysts for water oxidation; however, they exhibit poor stability and recyclability. Our group improved performance by embedding these complexes into metal−organic frameworks (MOFs). As water oxidation is pH-dependent, proton management further enhances reactivity. To address the issue, we introduced proton transfer pathways into the MOF structure. Specifically, we incorporated −SO 3 H groups onto the biphenyl linkers of UiO-67 loaded with [Ru(tpy)(dcbpy)OH 2 ]PF 6 catalyst (where tpy = 2,2′:6′,2″-terpyridine; dcbpy = 5,5-dicarboxy-2,2′- bipyridine). The sulfonated MOF exhibited a 2.5-fold increase in oxygen evolution compared to the nonsulfonated analogue. After 1 h of electrolysis, the sulfonated MOF exhibited a turnover number of 25 for oxygen evolution reaction compared to 10 for the native MOF, demonstrating the benefits of built-in proton management.

Catalysts↗
DOE OSTI2020

Version 4 of the CRU TS monthly high-resolution gridded multivariate climate dataset

CRU TS (Climatic Research Unit gridded Time Series) is a widely used climate dataset on a 0.5° latitude by 0.5° longitude grid over all land domains of the world except Antarctica. It is derived by the interpolation of monthly climate anomalies from extensive networks of weather station observations. Here we describe the construction of a major new version, CRU TS v4. It is updated to span 1901–2018 by the inclusion of additional station observations, and it will be updated annually. The interpolation process has been changed to use angular-distance weighting (ADW), and the production of secondary variables has been revised to better suit this approach. This implementation of ADW provides improved traceability between each gridded value and the input observations, and allows more informative diagnostics that dataset users can utilise to assess how dataset quality might vary geographically.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Uncertainty quantification in multivariable regression for material property prediction with Bayesian neural networks

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be overstated. UQ in material property prediction poses unique challenges, including multi-scale and multi-physics nature of materials, intricate interactions between numerous factors, limited availability of large curated datasets, etc. In this work, we introduce a physics-informed Bayesian Neural Networks (BNNs) approach for UQ, which integrates knowledge from governing laws in materials to guide the models toward physically consistent predictions. To evaluate the approach, we present case studies for predicting the creep rupture life of steel alloys. Experimental validation with three datasets of creep tests demonstrates that this method produces point predictions and uncertainty estimations that are competitive or exceed the performance of conventional UQ methods such as Gaussian Process Regression. Additionally, we evaluate the suitability of employing UQ in an active learning scenario and report competitive performance. The most promising framework for creep life prediction is BNNs based on Markov Chain Monte Carlo approximation of the posterior distribution of network parameters, as it provided more reliable results in comparison to BNNs based on variational inference approximation or related NNs with probabilistic outputs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Closure to “Coincidence Risk Analysis of Floods Using Multivariate Copulas: Case Study of Jinsha River and Min River, China” by Yang Peng, Yulong Shi, Hongxiang Yan, Kai Chen, and Jipeng Zhang

We would like to thank the discusser for his comments on the coincidence flood risk modeling in Jinsha River and Min River, China. The discusser’s comment brings focus to the discussion of extreme-value selection methodology and historical flood information. In flood risk analysis, we acknowledge that there is always an alternative modeling approach that could be used to generate desired prediction results. In this comment, the discusser made two valuable points regarding the original paper, and the following two paragraphs provide our responses.

42 ENGINEERING↗
DOE OSTI2023

Supervised machine learning-based multivariate regression of parallel closures for a high-collisionality deuterium-carbon plasma

Many plasmas of interest in laboratory experiments and space consist of multiple ion species. In tokamak edge plasmas, for instance, ionized impurities expelled from the vessel wall influence plasma transport. When describing multi-species plasmas using fluid equations, we need accurate closure relations to close the set of fluid equations. In this study, we introduce the development of fitting formulas for parallel closures using supervised machine learning, in conjunction with the recent closure theory, considering multi-ion collisions and arbitrary ion temperatures. We apply this approach to a high-collisionality deuterium-carbon plasma and demonstrate its effectiveness. As a result, the machine learning-based method for developing practical and accurate closures can be extended to a wider range of plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Identification of hadronically decaying W bosons and top quarks using multivariate techniques at ATLAS

By colliding protons and examining particles emitted from the collisions, the Large Hadron Collider aims to study the interactions of quarks and gluons at the highest energy accessible in a controlled experimental way. In such collisions, W bosons or top quarks which have TeV scale momentum can be accessible. Reconstructing such boosted jets are becoming important. In particular, the ability to identify original particle that decays to quarks against normal QCD jets plays a central role in various searches at high energy scale. This is typically done by the use of a single physically motivated observable constructed from the constituents of the jet. In this contribution, multiple complementary observables are combined using boosted decision trees and neural networks to increase the ability to distinguish W bosons and top quarks from light quark jets in the ATLAS experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

MultiCAM: a multivariable framework for connecting the mass accretion history of haloes with their properties

ABSTRACT Models that connect galaxy and halo properties often summarize a halo’s mass accretion history (MAH) with a single value and use this value as the basis for predictions. However, a single-value summary fails to capture the complexity of MAHs and information can be lost in the process. We present MultiCAM, a generalization of traditional abundance matching frameworks, which can simultaneously connect the full MAH of a halo with multiple halo and/or galaxy properties. As a first case study, we apply MultiCAM to the problem of connecting dark matter halo properties to their MAHs in the context of a dark matter-only simulation. While some halo properties, such as concentration, are more strongly correlated to the early-time mass growth of a halo, others, like the virial ratio, have stronger correlations with late-time mass growth. This highlights the necessity of considering the impact of the entire MAH on halo properties. For most of the halo properties we consider, we find that MultiCAM models that use the full MAH achieve higher accuracy than conditional abundance matching models that use a single epoch. We also demonstrate an extension of MultiCAM that captures the covariance between predicted halo properties. This extension provides a baseline model for applications where the covariance between predicted properties is important.

79 ASTRONOMY AND ASTROPHYSICS↗