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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 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. L., 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
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
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. L., 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
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 journal › Article › peer-review
Viscosity bounds in liquids with different structure and bonding types
Withington, M., Devereux, H. L., Cockrell, C., Elena, A. M., Todorov, I. T., Liu, Z. K., Shang, S. L., McCloy, J. S., Bingham, P. A. & Trachenko, K., Mar 1 2024, In: Physical Review B. 109, 9, 094205.Research output: Contribution to journal › Article › peer-review
Enhancing strength and ductility in high Nb-containing TiAl alloy additively manufactured via directed energy deposition
Xue, H., Song, Y., Tong, X., Liang, Y., Peng, H., Wang, Y., Shang, S. L., Liu, Z. K. & Lin, J., Apr 25 2024, In: Additive Manufacturing. 86, 104194.Research output: Contribution to journal › Article › peer-review