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DOE OSTI · 2998424

VISIONARY: Virtual Intelligence System for Optimizing Novel Analytical Research Yields

Bel, Oceane M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]·Kim, Sungmin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000166021320)·Agarwal, Khushbu [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]·Barajas-Solano, David A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000314428086)·Kaspar, Tiffany C. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000328167569)·Mars, Rebekah M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]·Choudhury, Sutanay [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]·Seppala, Garret E. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]·Amante, Andre L. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]
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Abstract

VISIONARY is an AI system that accelerates energy materials discovery by automatically generating hypotheses about structure-property relationships. It analyzes patterns in materials data, identifies promising correlations, and proposes testable scientific hypotheses without human intervention. By streamlining this reasoning process, VISIONARY helps researchers efficiently identify candidate materials with desired properties, significantly speeding up the materials development pipeline for energy applications. During the project, we developed a standalone application. The application uses a combination of papers provided by the user and data collected from FutureHouse’s dataset to build an understanding of the background that the user wants to explore for the hypothesis.

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36 MATERIALS SCIENCE97 MATHEMATICS AND COMPUTING

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BibTeXRIS

Bel, Oceane M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Kim, Sungmin [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000166021320), Agarwal, Khushbu [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Barajas-Solano, David A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000314428086), Kaspar, Tiffany C. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000328167569), Mars, Rebekah M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Choudhury, Sutanay [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Seppala, Garret E. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Amante, Andre L. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]. 2025-09-30. VISIONARY: Virtual Intelligence System for Optimizing Novel Analytical Research Yields. https://doi.org/10.2172/2998424

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DOE OSTI2026

Cyclic moisture reactivation of calcium sorbents for long duration thermochemical energy storage

The transition to a flexible and reliable energy infrastructure, using electro-thermal energy generation technologies such as geothermal, concentrated solar power, and nuclear, usually demands simultaneous advancement of thermal energy storage (TES) to support on-demand electricity generation and industrial applications while mitigating the inherent intermittency of renewable energy sources and power outages from direct energy generation. Among TES technologies, thermochemical energy storage (TCES) based on calcium looping emerges as a compelling high-power energy storage candidate due to its high reaction enthalpy, compatibility with elevated operating temperatures, and abundance of low-cost materials. However, the long-term durability of calcium-based sorbents for TCES is hindered by surface sintering and particle aggregation, leading to performance degradation over repeated thermal cycles. This study explores a moisture hydration-based strategy to regenerate a degraded calcium sorbent and mitigate performance degradation for long duration TCES. The addition of moisture transforms calcium oxide into calcium hydroxide and produces intercalation water layers, associated with a regenerated surface area and reduced calcium oxide crystallite size. Both these effects are beneficial in restoring the sorbents' reactivity for carbonization. Additionally, an optimized hydration-assisted reactivation protocol balances the recovered energy storage capacity with heating penalty required for moisture removal from hydrated samples, resulting in an enhanced energy storage capacity up to 176% compared to benchmark sorbents that undergo cycling without reactivation after 60 cycles. In conclusion, these results highlight the potential of hydration-assisted reactivation to enhance the long-term performance of TCES, providing an effective pathway to advancing electro-thermal storage technologies.

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