Lawrence Livermore researchers are pioneering the development of in silico design tools to automatically generate optimally performing engineered architectures and systems for energy applications.
Breakthroughs in materials synthesis and processing, including additive/advanced manufacturing, hierarchical microstructures, and self-assembly techniques, have allowed for unprecedented control over the spatial arrangement of matter across length-scales. These advances have drastically expanded the possible design space of modern energy systems. Taking full advantage of this newfound complexity requires a new generation of analysis and design capabilities.
We work to develop multiscale physical models and large-scale continuum simulations of fluid, thermal, electrochemical, and reactor systems, and couple them with topology and shape optimization algorithms to create computational tools that generate novel, manufacturable, high-performance structures. Recent applications include electrolyzers, porous electric double layer capacitors, heat exchangers, Fischer-Tropsch reactors, aqueous flow batteries, flow fields, and fluid manifolds.
Publications
T. Moore, X. Xia, S. E. Baker, E. B. Duoss, and V. A. Beck, “Elucidating mass transport regimes in gas diffusion electrodes for CO2 electroreduction,” ACS Energy Lett., 6, 3600 (2021).
V. A. Beck, J. J. Wong, C. F. Jekel, D. A. Tortorelli, S. E. Baker, E. B. Duoss, and M. A. Worsley, “Computational Design of Microarchitected Porous Electrodes for Redox Flow Batteries,” J. of Power Sources, 512, 230453 (2021).
T. Y. Lin, S. E. Baker, E. B. Duoss, V. A. Beck, “Analysis of the reactive CO2 surface flux in electrocatalytic aqueous flow reactors,” Ind. Eng. Chem. Res., 60, 11824 (2021).
V. A. Beck, A. I. Ivanovskaya, S. Chandrasekaran, J.-B. Forien, S. E. Baker, E. B. Duoss, and M. A. Worsley, “Inertially enhanced mass transport using 3D-printed flow-through electrodes with periodic lattice structure,” PNAS, 118, e2025562118 (2021).
D. Corral, J. T. Feaster, S. Sobhani, J. R. DeOtte, D. U. Lee, A. A. Wong, J. Hamilton, V. A. Beck, A. Sarkar, C. Hahn, and T. F. Jaramillo, “Advanced manufacturing for electrosynthesis of fuels and chemicals from CO2,” Energy & Environmental Science, 14, 3064 (2021).
J. Wicks, M. L. Jue, V. A. Beck, J. S. Oakdale, N. A. Dudukovic, A. L. Clemens, S. Liang, M. E. Ellis, G. Lee, S. E. Baker, E. B. Duoss, and E. H. Sargent, “3D‐Printable fluoropolymer gas diffusion layers for CO2 electroreduction,” Advanced. Materials, 33, 2003855 (2021).
V. A. Beck, N. N. Watkins, A. S. Ashby, A. A. Martin, P. H. Paul, J. R. Jeffries, and A. J. Pascall, “A combined numerical and experimental study to elucidate primary breakup dynamics in liquid metal droplet-on-demand printing,” Physics of Fluids, 32, 112020 (2020).
C. Zhu, Z. Qi, V. A. Beck, M. Luneau, J. Lattimer, W. Chen, M. A. Worsley, J. Ye, E. B. Duoss, C. M. Spadaccini, C. M. Friend and J. Biener, “Toward digitally controlled catalyst architectures: Hierarchical nanoporous gold via 3D printing,” Science Advances, 31, eaas9459 (2018).
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Learn more about our capabilities
- Hierarchical 3D printing of nanoporous gold could ‘revolutionize’ electrochemical reactor design (LLNL news, August 31, 2018)
- LLNL optimizes flow-through electrodes for electrochemical reactors with 3D printing (LLNL news, August 2, 2021)