Research Summary
Professor Liu’s research interests focus on the modeling and design of a wide range of materials chemistry and processing through integrating first-principles calculations, statistic mechanics, thermodynamic/kinetic modeling, and critically designed experiments for structural and functional applications.
Recent studies in Professor Liu’s Phases Research Lab concentrate on aluminum alloys, magnesium alloys, Ni-base superalloys, ion transport membranes, and ferroelectrics. The primary emphasis is on fundamentals of phase stability, defect chemistry, and their applications in understanding and predicting relationships among materials chemistry, processing, and properties.
Technology impacted by Professor Liu's research includes: lightweight materials for vehicle applications; solid-oxide fuel cells; Li-ion battery; solar materials; ferroelectrics, ionic transportation membranes, thermal and environmental barrier coatings; land-based and airborne gas turbine systems; and computational methodology in materials research and development transferable across inorganic materials.
In the News
Research Keywords
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Projects
Recent Publications
Effect of local variations in thermal history on the microstructures and hardness of a high-strength, low-alloy martensitic steel made by directed energy deposition
Britt, C., Cluff, S., Liu, Z. K., Beese, A. M. & Keist, J., Sep 2024, In: Materials Science and Engineering: A. 910, 146890.Research output: Contribution to journal › Article › peer-review
Underpinnings behind the magnetic order-to-disorder transition and property anomaly of disproportionated insulating samarium nickelate
Du, J., Zhang, Z., Shang, S. L., Zhang, A., Wang, Y., Liu, Z. K. & Liu, F., Apr 15 2024, In: Acta Materialia. 268, 119783.Research output: Contribution to journal › Article › peer-review
Unveiling thermal stresses in RETaO4 (RE = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er) by first-principles calculations and finite element simulations
Gan, M., Chong, X., Lu, T., Yang, C., Yu, W., Shang, S. L., Wang, Y., Liu, Z. K. & Feng, J., Jun 1 2024, In: Acta Materialia. 271, 119904.Research output: Contribution to journal › Article › peer-review
Revisiting thermodynamics in (LiF, NaF, KF, CrF2)–CrF3 by first-principles calculations and CALPHAD modeling
Gong, R., Shang, S., Wang, Y., Paz Soldan Palma, J., Kim, H. & Liu, Z. K., Jun 2024, In: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 85, 102703.Research output: Contribution to journal › Article › peer-review
Theory-guided materials design of multiphase alloys with superior stiffness at finite temperatures
Huang, J., Liu, S., Friák, M., Qiu, C., Shang, S. L., Liu, Z. K. & Du, Y., May 1 2024, In: Acta Materialia. 269, 119796.Research output: Contribution to journal › Article › peer-review
Electronic-grade epitaxial (111) KTaO3 heterostructures
Kim, J., Yu, M., Lee, J. W., Shang, S., Kim, G. Y., Pal, P., Seo, J., Campbell, N., Eom, K., Ramachandran, R., Rzchowski, M. S., Oh, S. H., Choi, S. Y., Liu, Z. K., Levy, J. & Eom, C. B., May 24 2024, In: Science Advances. 10, 21, adk4288.Research output: Contribution to journal › Article › peer-review
Design and validation of refractory alloys using machine learning, CALPHAD, and experiments
Li, W., Raman, L., Debnath, A., Ahn, M., Lin, S., Krajewski, A. M., Shang, S., Priya, S., Reinhart, W. F., Liu, Z. K. & Beese, A. M., Jun 2024, In: International Journal of Refractory Metals and Hard Materials. 121, 106673.Research output: Contribution to journal › Article › peer-review
Phase transformation and equation of state in Ti–45Al alloy under high pressure
Li, X., Zhu, R., Xin, J., Luo, M., Shang, S. L., Liu, Z. K., Yin, C., Funakoshi, K. I., Dippenaar, R. J., Higo, Y., Shiro, A., Reid, M., Shobu, T., Akita, K., Zhang, W. B. & Liss, K. D., Mar 2024, In: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 84, 102641.Research output: Contribution to journal › Article › peer-review
Boosting oxygen reduction electrocatalytic performance of Cu-Nx by modulating electron structure via construction of Cu-Nx and Cu nanocluster coupling catalyst
Liang, K., Liang, Y., Zhang, H., Tang, F., Shang, S. L., Liu, Z.-K. & Lin, J., Jun 5 2024, In: International Journal of Hydrogen Energy. 69, p. 21-30 10 p.Research output: Contribution to journal › Article › peer-review
Quantitative predictive theories through integrating quantum, statistical, equilibrium, and nonequilibrium thermodynamics
Liu, Z. K., Aug 28 2024, In: Journal of Physics Condensed Matter. 36, 34, 343003.Research output: Contribution to journal › Review article › peer-review
Influence of accelerated corrosion on Al/steel RSW joints by in situ compression tests
Pan, B., Sun, H., Xie, D., Shang, S. L., Li, N., Carlson, B. E., Li, Y., Liu, Z. K. & Li, J., Jan 2024, In: Materials Science and Engineering: A. 889, 145851.Research output: Contribution to journal › Article › peer-review
Revisiting first-principles thermodynamics by quasiharmonic approach: Application to study thermal expansion of additively-manufactured Inconel 625
Shang, S., Gong, R., Gao, M. C., Pagan, D. C. & Liu, Z.-K., Sep 1 2024, In: Scripta Materialia. 250, 116200.Research output: Contribution to journal › Article › peer-review
Effects of misorientation on single crystal plasticity by finite element methods
Shimanek, J. D., Liu, Z. K. & Beese, A. M., Mar 25 2024, In: Computational Materials Science. 237, 112879.Research output: Contribution to journal › Article › peer-review
MaterialsMap: A CALPHAD-based tool to design composition pathways through feasibility map for desired dissimilar materials, demonstrated with resistance spot welding joining of Ag-Al-Cu
Sun, H., Pan, B., Yang, Z., Krajewski, A. M., Bocklund, B., Shang, S., Li, J., Beese, A. M. & Liu, Z.-K., Aug 2024, In: Materialia. 36, 102153.Research output: Contribution to journal › Article › peer-review
Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements
Sun, H., Wang, C., Shang, S., Beese, A. M., Zhao, J. C. & Liu, Z.-K., Apr 15 2024, In: Acta Materialia. 268, 119747.Research output: Contribution to journal › Article › peer-review