Exploiting Hydrogen-Induced Phase Transformations for High-Temperature Applications

Executive Summary

We will establish an integrated modeling and experimental approach to investigate key thermodynamic and kinetic mechanisms of hydrogen-induced phase transformations in materials for high-temperature applications, including thermal energy storage and steelmaking. By improving our ability to understand, predict, and control high-temperature, hydrogen-induced phase transformations, this project will support efforts to develop materials for environmentally friendly energy applications and foster our nation's energy security.

Publications, Presentations, and Patents

Kim, Dong-min, Dong Ju Han, Tae Wook Heo, ShinYoung Kang, Brandon C. Wood, Jungchul Lee, Eun Seon Cho, and Bong Jae Lee. 2022. "Enhancement of effective thermal conductivity of rGO/Mg nanocomposite packed beds." International Journal of Heat and Mass Transfer 192: 122891. https://doi.org/https://doi.org/10.1016/j.ijheatmasstransfer.2022.122891. https://www.sciencedirect.com/science/article/pii/S0017931022003660.
[LLNL-JRNL-822697]

Adams, Marcus, Craig E. Buckley, Markus Busch, Robin Bunzel, Michael Felderhoff, Tae Wook Heo, Terry D. Humphries, Torben R. Jensen, Julian Klug, Karl H. Klug, Kasper T. Møller, Mark Paskevicius, Stefan Peil, Kateryna Peinecke, Drew A. Sheppard, Alastair D. Stuart, Robert Urbanczyk, Fei Wang, Gavin S. Walker, Brandon C. Wood, Danny Weiss, and David M. Grant. 2022. "Hydride-based thermal energy storage." Progress in Energy 4 (3): 032008. https://doi.org/10.1088/2516-1083/ac72ea. http://dx.doi.org/10.1088/2516-1083/ac72ea. [LLNL-JRNL-830599]

Qu, Dongxia, Nick Du, Younggil Song, and Tae Wook Heo. 2023. “Additive manufacturing enabled hot-wire apparatus with suppressed edge effect error.” ROI filed September 28, 2023. 

T.W. Heo, “LLNL research overview: Hydrogen & Catalysis” (Presentation, LLNL-KIST MOU Workshop, Livermore, CA, 2022). [LLNL-PRES-838847].

T.W. Heo, “LLNL research capabilities & potential collaboration for low‐T and high‐T hydrogen‐material interactions” (Presentation, LLNL-KIST MOU Workshop, Livermore, CA, 2022). [LLNL-PRES-840330].

Y. Song, “Analyzing the effective thermal conductivity of complex polycrystalline materials” (Presentation, LLNL Comp. Sci. and Eng. Nuc. Matter Symposium, Livermore, CA, 2023).  [LLNL-PRES-843769] & [LLNL-ABS-843622].

Y. Song, “Mass and heat transfer prediction within polycrytalline microstructures for hydrogen storages” (Presentation, LLNL PLS Postdoc Seminar, Livermore, CA, 2023). [LLNL-PRES-844308] & [LLNL-ABS-843552].

T.W. Heo, “Combined modeling-experimental approach for investigating hydrogenation of titanium” (Presentation, TMS Annual Meeting, San Diego, CA,  2023). [LLNL-PRES-846607] & [LLNL-ABS-837625].

Y. Song et al., “Semi-empirical approach for analyzing the microstructure-aware effective TC of polycrystalline materials” (Presentation, TMS Annual Meeting, San Diego, CA, 2023). [LLNL-PRES-846407] & [LLNL-ABS-836988].

Y. Song, “Microstructure-aware mass and heat transfer kinetics for hydrogen storages” (Presentation, LLNL Annual Postdoc Poster Symposium, Livermore, CA,  2023), [LLNL-POST-847837].

T.W. Heo, “Exploiting Phase Transformation Behavior of Novel Solid Electrolytes for Thermal Batteries” (Presentation, Fuzing, Explosives, and Munition Power Summit, Niceville, FL, 2023).  [LLNL-PRES-853322] & [LLNL-ABS-851067]. 

T.W. Heo, “Overview of LLNL Research Activities/Capabilities Related to Hydrogen-Material Interactions and Potential Collaboration” (Presentation, LLNL-KIST MOU Workshop, Livermore, CA, 2023). [LLNL-PRES-853686].

W. Jeong, “Progress, capabilities, and ideas for atomistic simulations of H-Ti interactions” (Presentation, LLNL-KIST MOU Workshop, Livermore, CA, 2023).  [LLNL-PRES-854354]. 

Y. Zhu, “Hydriding experimental capabilities & activities” (Presentation, LLNL-KIST MOU Workshop, Livermore, CA,  2023). [LLNL-PRES-854041]. 

S. Kang, “Modeling activities in TiFe and high-entropy alloys for hydrogen storage" (Presentation, LLNL-KIST MOU Workshop, Livermore, CA, 2023).  [LLNL-PRES-854049].