Zi-Kui Liu

Affiliate Researcher
Titles and Affiliations
Professor, Materials Science and Engineering

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

Projects

Recent Publications

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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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., Apr 15 2024, In: Acta Materialia. 268, 119747.

Research output: Contribution to journalArticlepeer-review

Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations

Tonyali, B., Sun, H., Bocklund, B., Borgonia, J. P., Otis, R. A., Shang, S. L., Liu, Z. K. & Beese, A. M., May 25 2024, In: Journal of Alloys and Compounds. 985, 174011.

Research output: Contribution to journalArticlepeer-review

Effect of heat treatment on functionally graded 304L stainless steel to Inconel 625 fabricated by directed energy deposition

Yang, Z., Sun, H., Shang, S., Liu, Z. & Beese, A. M., May 2024, In: Materialia. 34, 102067.

Research output: Contribution to journalArticlepeer-review

Silicon-doped β -Ga2O3films grown at 1 μ m/h by suboxide molecular-beam epitaxy

Azizie, K., Hensling, F. V. E., Gorsak, C. A., Kim, Y., Pieczulewski, N. A., Dryden, D. M., Senevirathna, M. K. I., Coye, S., Shang, S. L., Steele, J., Vogt, P., Parker, N. A., Birkhölzer, Y. A., McCandless, J. P., Jena, D., Xing, H. G., Liu, Z. K., Williams, M. D., Green, A. J., Chabak, K., & 6 othersMuller, D. A., Neal, A. T., Mou, S., Thompson, M. O., Nair, H. P. & Schlom, D. G., Apr 1 2023, In: APL Materials. 11, 4, 041102.

Research output: Contribution to journalArticlepeer-review

Electrochemical properties of Gd(III) ions in LiCl-KCl-GdCl3 at 723–1023 K

Baldivieso, S. C., Smith, N. D., Liu, Z. K. & Kim, H., Jul 1 2023, In: Journal of Electroanalytical Chemistry. 940, 117482.

Research output: Contribution to journalArticlepeer-review

Comparing forward and inverse design paradigms: A case study on refractory high-entropy alloys

Debnath, A., Raman, L., Li, W., Krajewski, A. M., Ahn, M., Lin, S., Shang, S., Beese, A. M., Liu, Z. K. & Reinhart, W. F., Sep 14 2023, In: Journal of Materials Research. 38, 17, p. 4107-4117 11 p.

Research output: Contribution to journalArticlepeer-review

Deformation behaviors in light of dislocation core characteristics with respect to the compositional-dependent misfit potentials of aluminum alloys

Du, J., Liu, Y., Zhang, Z., Shang, S. L., Li, H., Liu, Z. K. & Liu, F., Nov 1 2023, In: Journal of Materials Research and Technology. 27, p. 4366-4377 12 p.

Research output: Contribution to journalArticlepeer-review

Machine learning-enabled identification of micromechanical stress and strain hotspots predicted via dislocation density-based crystal plasticity simulations

Eghtesad, A., Luo, Q., Shang, S. L., Lebensohn, R. A., Knezevic, M., Liu, Z. K. & Beese, A. M., Jul 2023, In: International journal of plasticity. 166, 103646.

Research output: Contribution to journalArticlepeer-review

Stacking-disordered CoSn3 and tetragonally stacked CoSn4 formed during solid-state interdiffusion of Co and Sn

Leineweber, A., Hoppe, M., Martin, S., Schimpf, C., Shang, S. L. & Liu, Z. K., Sep 2023, In: Intermetallics. 160, 107957.

Research output: Contribution to journalArticlepeer-review

Synergetic influence of nitrogen-doped species and hollow microporous structure on surface active sites of carbonaceous catalysts for oxygen reduction reaction of Zn-air battery

Liang, K., Zhang, H., Liang, Y., Shang, S. L., Liu, Z. K. & Lin, J., Dec 10 2023, In: Journal of Alloys and Compounds. 967, 171722.

Research output: Contribution to journalArticlepeer-review