Staff information

PNNL Publications

2025

• Chen Y., C. Zeng, Y. Fu, J. Bao, P. Gao, J.Q. Chen, and Z. Xu, et al. 2025. "A hybrid numerical and machine learning framework for evaluating the performance of a 780 cm2 aqueous organic redox flow battery." Journal of Power Sources 635, no. _:Art. No. 236470. PNNL-SA-203778. doi:10.1016/j.jpowsour.2025.236470
• Frazier W.E., L. Li, K. Choi, Y. Fu, Z. Xu, A. Soulami, and V.V. Joshi. 2025. "Investigating the Evolution of U-10Mo Fuel Foil Microstructures during Multi-Stage Hot Rolling using Coupled Potts Model-Finite Element Method Simulations." Journal of Nuclear Materials 603, no. _:Art. No. 155427. PNNL-SA-194085. doi:10.1016/j.jnucmat.2024.155427
• Frazier W.E., Y. Fu, L. Li, and R. Devanathan. 2025. "Dynamic Data-Driven Multiscale Modeling for Predicting the Degradation of a 316L Stainless Steel Nuclear Cladding Material." Journal of Nuclear Materials 603, no. _:Art No. 155429. PNNL-SA-178017. doi:10.1016/j.jnucmat.2024.155429
• Haag J.V., Y. Fu, W. Jiang, B.E. Matthews, M.J. Olszta, D.J. Edwards, and W. Setyawan. 2025. "Quantitative assessment of Ni+ and He+ ion irradiation damage in a tungsten heavy alloy under the simulated nuclear fusion environment." Scientific Reports 15:Art. No. 7066. PNNL-SA-206824. doi:10.1038/s41598-025-89532-w
• Lei B., Y. Fu, J. Cadena, A. Saini, Y. Hu, J. Bao, and Z. Xu, et al. 2025. "Accelerating Computational Fluid Dynamics Simulation of Post-combustion Carbon Capture Modeling with MeshGraphNets." Frontiers in Artificial Intelligence 7, no. _:Art. No. 1441985. PNNL-SA-198919. doi:10.3389/frai.2024.1441985
• Singh R.K., Y. Fu, C. Zeng, J. Bao, and Z. Xu. 2025. "Countercurrent flow characteristics of next generation solvent in novel 3D printed columns for carbon capture." Chemical Engineering Journal 505C. PNNL-SA-201715. doi:10.1016/j.cej.2025.159454

2024

• Chen Y., C. Zeng, Y. Fu, J. Bao, P. Gao, J.Q. Chen, and Z. Xu, et al. 2024. Evaluating large scale aqueous organic redox flow battery performance with a hybrid numerical and machine learning framework. PNNL-36650. Richland, WA: Pacific Northwest National Laboratory. Evaluating large scale aqueous organic redox flow battery performance with a hybrid numerical and machine learning framework
• Fu Y., A.A. Howard, C. Zeng, Y. Chen, P. Gao, and P. Stinis. 2024. "Physics-Guided Continual Learning for Predicting Emerging Aqueous Organic Redox Flow Battery Material Performance." ACS Energy Letters 9, no. 6:2767-2774. PNNL-SA-192565. doi:10.1021/acsenergylett.4c00493
• Howard A.A., Y. Fu, and P. Stinis. 2024. "A multifidelity approach to continual learning for physical systems." Machine Learning: Science and Technology 5, no. 2:Art No. 25042. PNNL-SA-198022. doi:10.1088/2632-2153/ad45b2

2023

• Chen W., Y. Fu, and P. Stinis. 2023. "Physics-informed machine learning of redox flow battery based on a two-dimensional unit cell model." Journal of Power Sources 584. PNNL-SA-185779. doi:10.1016/j.jpowsour.2023.233548
• Frazier W.E., L. Li, K. Choi, Y. Fu, Z. Xu, V.V. Joshi, and A. Soulami. 2023. "Microstructure-process relationships in monolithic U-10Mo fuel foil single-pass rolling: A parametric simulation study." Journal of Nuclear Materials 576, no. 17:Art. NO. 154271. PNNL-SA-170389. doi:10.1016/j.jnucmat.2023.154271
• Fu Y., J. Bao, C. Zeng, Y. Chen, Z. Xu, S. Kim, and W. Wang. 2023. "A Three-Dimensional Pore-scale Model for Redox Flow Battery Electrode Design Analysis." Journal of Power Sources 556. PNNL-SA-175492. doi:10.1016/j.jpowsour.2022.232329
• Fu Y., R.K. Singh, S. Feng, J. Liu, J. Xiao, J. Bao, and Z. Xu, et al. 2023. "Understanding of Low-Porosity Sulfur Electrode for High-Energy Lithium-Sulfur Batteries." Advanced Energy Materials 13, no. 13:2203386. PNNL-SA-178343. doi:10.1002/aenm.202203386
• Jiang W., L. Kovarik, K. Kruska, Y. Fu, Z. Hu, L. Shao, and W. Setyawan. 2023. "Behavior and properties of helium cavities in ductile-phase-toughened tungsten irradiated with He+ ions at an elevated temperature." Materialia 29. PNNL-SA-182610. doi:10.1016/j.mtla.2023.101789
• Singh R.K., J. Yao, Y. Fu, D. Barpaga, and Z. Xu. 2023. Experimental measurement of the effective contact angle for solvent/packing interactions in a structured packed column for CO2 capture. PNNL-35201. Richland, WA: Pacific Northwest National Laboratory. Experimental measurement of the effective contact angle for solvent/packing interactions in a structured packed column for CO2 capture

2022

• Bartoldson B., R. Wang, Y. Fu, D. Widemann, S. Nguyen, J. Bao, and Z. Xu, et al. 2022. "Latent Space Simulation for Carbon Capture Design Optimization." In Proceedings of the 36th AAAI Conference on Artificial Intelligence, February 22- March 1, 2022, Virtual, Online, 36, 12447-12453. Palo Alto, California:AAAI Press. PNNL-SA-166438. doi:10.1609/aaai.v36i11.21511
• Feng S., R.K. Singh, Z. Li, Y. Wang, Y. Fu, J. Bao, and Z. Xu, et al. 2022. "Low-Tortuous and Dense Single-Particle-Layer Electrode for High-Energy Lithium-Sulfur Batteries." Energy & Environmental Science 15, no. 9:3842-3853. PNNL-SA-161239. doi:10.1039/D2EE01442D
• Fu Y., J. Bao, R.K. Singh, R.F. Zheng, C. Anderson-Cook, S. Bhat, and Z. Xu. 2022. "The Influence of Random Packed Column Parameters on the Liquid holdup and Interfacial Area." AIChE Journal 68, no. 8:e17691. PNNL-SA-160943. doi:10.1002/aic.17691
• Fu Y., W.E. Frazier, K. Choi, L. Li, Z. Xu, V.V. Joshi, and A. Soulami. 2022. "Prediction of Grain Structure after Thermomechanical Processing of U-10Mo Alloy using Sensitivity Analysis and Machine Learning Surrogate Model." Scientific Reports 12. PNNL-SA-170738. doi:10.1038/s41598-022-14731-8
• He Q., Y. Fu, P. Stinis, and A.M. Tartakovsky. 2022. "Enhanced physics-constrained deep neural networks for modeling vanadium redox flow battery." Journal of Power Sources 542. PNNL-SA-170353. doi:10.1016/j.jpowsour.2022.231807
• Singh R.K., Y. Fu, C. Zeng, D.T. Nguyen, P. Roy, J. Bao, and Z. Xu, et al. 2022. "Hydrodynamics of countercurrent flow in an additive manufactured column with triply periodic minimal surfaces for carbon dioxide capture." Chemical Engineering Journal 450, no. 2:138124. PNNL-SA-171812. doi:10.1016/j.cej.2022.138124
• Zeng C., S. Kim, Y. Chen, Y. Fu, J. Bao, Z. Xu, and W. Wang. 2022. "Characterization of electrochemical behavior for aqueous organic redox flow batteries." Journal of Electrochemical Society 169, no. 12:Art. No. 120527. PNNL-SA-178207. doi:10.1149/1945-7111/acadad
• Zeng C., Y. Fu, R.K. Singh, J. Bao, and Z. Xu. 2022. "Differentiation of static and dynamic interfacial area in the structured packed column." Chemical Engineering Science 260. PNNL-SA-165106. doi:10.1016/j.ces.2022.117877

2020

• Fu Y., J. Bao, C. Wang, R.K. Singh, and Z. Xu. 2020. CFD Study of Countercurrent Flow in Triply Periodic Minimal Surfaces with CO2BOL Solvent. PNNL-29590. Richland, WA: Pacific Northwest National Laboratory. CFD Study of Countercurrent Flow in Triply Periodic Minimal Surfaces with CO2BOL Solvent">doi:10.2172/1691506.CFD Study of Countercurrent Flow in Triply Periodic Minimal Surfaces with CO2BOL Solvent
• Fu Y., J. Bao, C. Wang, R.K. Singh, D. Barpaga, R.F. Zheng, and Z. Xu, et al. 2020. Absorber Column CFD model validation against PNNL’s device-scale absorber column on the LCFS unit. PNNL-29828. Richland, WA: Pacific Northwest National Laboratory. Absorber Column CFD model validation against PNNL’s device-scale absorber column on the LCFS unit">doi:10.2172/1691502.Absorber Column CFD model validation against PNNL’s device-scale absorber column on the LCFS unit
• Fu Y., J. Bao, R.K. Singh, C. Wang, and Z. Xu. 2020. "Investigation of Countercurrent Flow Profile and Liquid Holdup in Random Packed Column with Local CFD Data." Chemical Engineering Science 221. PNNL-SA-148356. doi:10.1016/j.ces.2020.115693
• Singh R.K., J. Bao, C. Wang, Y. Fu, and Z. Xu. 2020. "Hydrodynamics of countercurrent flows in a structured packed column: effects of initial wetting and dynamic contact angle." Chemical Engineering Journal 398. PNNL-SA-149254. doi:10.1016/j.cej.2020.125548