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Multiscale Material Mechanics Modeling
Project Overview:
By seamlessly integrating computational techniques across various length scales, multiscale material mechanics modeling provides an unprecedented insight into the intricate mechanical properties of advanced materials. From the atomic level interactions to the macroscopic response, multiscale modeling unveils the complex interplay between structure, defects, and deformation mechanisms. This comprehensive understanding not only aids in predicting the mechanical performance of nanostructured and amorphous alloys under different loading conditions but also guides the design of tailored materials with enhanced strength, durability, and resilience.
Selected Publications:
Cappola J, Wang J, Li L, "A dislocation-density-based crystal plasticity model for FCC nanocrystalline metals incorporating thermally-activated depinning from grain boundaries", International Journal of Plasticity 172, 103863, 2024. (https://www.sciencedirect.com/science/article/pii/S0749641923003479)
Gu YC, Cappola J, Wang J, Li L, "A Hall-Petch-like relationship linking nanoscale heterogeneity to yield stress of heterogeneous metallic glasses", International Journal of Plasticity 170, 103759, 2023. (https://doi.org/10.1016/j.ijplas.2023.103759)
Gu YC, Han X, Yan F, Li L, “The strain rate sensitivity of heterogeneous thin film metallic glasses: interplay between nanoscale heterogeneity and dynamic plasticity”, Frontiers in Materials, 9, 925096, 2022. (https://doi.org/10.3389/fmats.2022.925096 )
Wang, Neng, Jun Ding, Feng Yan, Mark Asta, Robert O. Ritchie, and Lin Li. "Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses." npj Computational Materials 4, no. 1 (2018): 19. (http://dx.doi.org/10.1038/s41524-018-0077-8 )
Data-driven Mechanism-based Complex Alloy Design
Project Overview:
Data-driven alloy design for complex alloys, such as high entropy alloys and metallic glasses, represents a pioneering paradigm shift in materials research. Leveraging the power of advanced data analytics and machine learning, this approach enables the precise tailoring of compositions and structures to achieve desired properties. By analyzing vast datasets encompassing alloy compositions, processing conditions, and performance metrics, the project aims to uncover intricate correlations and patterns that guide the creation of novel materials.
Selected Publications:
Yao Y, Sullivan T, Yan F, Gong JQ, Li L*, “Balancing data for generalizable machine learning to predict glass-forming ability of ternary alloys”, Scripta Materialia, 209, 114366, 2022. (https://doi.org/10.1016/j.scriptamat.2021.114366 )
X Han, D Li, J Zhou, Y Zheng, L Kong, L Li, F Yan, “Electrospun single-phase spinel magnetic high entropy oxide nanoparticles via low-temperature ambient annealing”, Nanoscale Advances 5 (11), 3075-3083, 2023. (https://doi.org/10.1039/D3NA00090G )
PA Santos-Florez, SC Dai, Y Yao, H Yanxon, L Li, YJ Wang, Q Zhu, XX Yu, "Short-range order and its impacts on the BCC MoNbTaW multi-principal element alloy by the machine-learning potential", Acta Materialia 255, 119041. (https://doi.org/10.1016/j.actamat.2023.119041)
Chen W, Li L, Zhu Q, Zhuang H, "Chemical short-range order in complex concentrated alloys", MRS Bulletin 48 (7), 2023. (https://doi.org/10.1557/s43577-023-00575-8)
Materials under Extreme Conditions
Project Overview:
Materials engineered for extreme conditions, such as corrosive environments, high temperatures, and oxidative atmospheres, are paramount in ensuring the durability and reliability of critical systems. By unraveling the intricate interactions between atomic structures, defects, and external stimuli, we aim to gain invaluable insights into how materials respond and degrade under such challenging circumstances. Armed with this knowledge, we can tailor compositions, processing techniques, and surface treatments to create novel materials that withstand and even excel in harsh environments.
Selected Publications:
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai, "Selective oxidation and nickel enrichment hinders the repassivation kinetics of multi-principal element alloy surfaces", Acta Materialia, 263 (15), (https://doi.org/10.1016/j.actamat.2023.119490 )
Y Yao, Z Zhang, W Cai, L Li, “Atomistic investigations of Cr effect on the deformation mechanisms and mechanical properties of CrCoFeNi alloys”, Journal of Applied Physics 133 (19), 2023. (https://doi.org/10.1063/5.0146032 )
Zhang Z, Yao Y, Liu L, Mou T, Xin H, Li L, Cai W, “Computational design of non-equiatomic CoCrFeNi alloys towards optimized mechanical and surface properties”, Journal of Materials Research, 37 (17), 2738-2748, 2022. (https://doi.org/10.1557/s43578-022-00695-y )
Photomechanical Performance
Project Overview:
Photomechanical properties in photovoltaic materials encapsulate a synergy between light-induced changes and mechanical responses. These properties play a pivotal role in enhancing the efficiency and reliability of photovoltaic devices. This project aims to understand mechanical behaviors and structural modification as light interacts with the material. By harnessing these photomechanical effects, we can design innovative photovoltaic materials that dynamically adapt to varying light conditions, optimize energy conversion, and improve long-term stability.
Selected Publications:
Amin A, Li D, Duan X, Vijayaraghavan SN, Menon HG, Wall J, Weaver M, Cheng M, Zheng Y, Li L, Yan F, “Enhanced Efficiency and Stability in Sb2S3 Seed Layer Buffered Sb2Se3 Solar Cells”, Advanced Materials Interfaces, 2200547, 2022. (https://doi.org/10.1002/admi.202200547 )
Vijayaraghavan SN, Wall J, Menon HG, Duan X, Guo L, Amin A, Han X, Kong LY, Zheng YF, Li L, Yan F, “Interfacial engineering with NiOx nanofibers as hole transport layer for carbon-based perovskite solar cells”, Solar Energy, 230, 591, 2021 (https://doi.org/10.1016/j.solener.2021.10.039 )
K Luo, X Han, J Cappola, D Li, Y Zheng, L Li, F Yan, Q An, "Hyper‐Elastic Deformation via Martensitic Phase Transformation in Cadmium Telluride", 2024. Advanced Engineering Materials, (https://doi.org/10.1002/adem.202302076)
