Shunli Shang

Affiliate Researcher
Titles and Affiliations
Research Professor, Materials Science and Engineering

In the News

Research Keywords

Projects

Recent Publications

Quantifying the degree of disorder and associated phenomena in materials through zentropy: Illustrated with Invar Fe3Pt

Shang, S. L., Wang, Y. & Liu, Z. K., Mar 1 2023, In: Scripta Materialia. 225, 115164.

Research output: Contribution to journalArticlepeer-review

Thermodynamic and electron transport properties of Ca3Ru2 O7 from first-principles phonon calculations and Boltzmann transport theory

Wang, Y., Xiong, Y., Yang, T., Yuan, Y., Shang, S., Liu, Z. K., Gopalan, V., Dabo, I. & Chen, L. Q., Jan 15 2023, In: Physical Review B. 107, 3, 035118.

Research output: Contribution to journalArticlepeer-review

An additively manufactured γ-based high Nb-TiAl composite via coherent interface regulation

Xue, H., Liang, Y., Peng, H., Wang, Y., Shang, S. L., Liu, Z. K. & Lin, J., Jan 15 2023, In: Scripta Materialia. 223, 115102.

Research output: Contribution to journalArticlepeer-review

Atomic control of active-site ensembles in ordered alloys to enhance hydrogenation selectivity

Dasgupta, A., He, H., Gong, R., Shang, S. L., Zimmerer, E. K., Meyer, R. J., Liu, Z. K., Janik, M. J. & Rioux, R. M., May 2022, In: Nature Chemistry. 14, 5, p. 523-529 7 p.

Research output: Contribution to journalArticlepeer-review

Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3

Du, J. L., Malyi, O. I., Shang, S. L., Wang, Y., Zhao, X. G., Liu, F., Zunger, A. & Liu, Z. K., Oct 2022, In: Materials Today Physics. 27, 100805.

Research output: Contribution to journalArticlepeer-review

Density functional theory-informed dislocation density hardening within crystal plasticity: Application to modeling deformation of Ni polycrystals

Eghtesad, A., Shimanek, J. D., Shang, S., Lebensohn, R., Knezevic, M., Liu, Z. & Beese, A. M., Dec 2022, In: Computational Materials Science. 215, 111803.

Research output: Contribution to journalArticlepeer-review

Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts

Gong, R., Shang, S. L., Sun, H., Janik, M. J. & Liu, Z. K., Dec 2022, In: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 79, 102491.

Research output: Contribution to journalArticlepeer-review

Microstructure-dependent rate theory model of defect segregation and phase stability in irradiated polycrystalline LiAlO2

Hu, S., Li, Y., Shang, S., Liu, Z. K., Burkes, D. & Senor, D. J., Mar 2022, In: Modelling and Simulation in Materials Science and Engineering. 30, 2, 025005.

Research output: Contribution to journalArticlepeer-review

Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling

Im, S., Shang, S. L., Smith, N. D., Krajewski, A. M., Lichtenstein, T., Sun, H., Bocklund, B. J., Liu, Z. K. & Kim, H., Jan 15 2022, In: Acta Materialia. 223, 117448.

Research output: Contribution to journalArticlepeer-review

Thermodynamic re-modelling of the Cu–Nb–Sn system: Integrating the nausite phase

Lachmann, J., Kriegel, M. J., Leineweber, A., Shang, S. L. & Liu, Z. K., Jun 2022, In: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 77, 102409.

Research output: Contribution to journalArticlepeer-review

Zentropy Theory for Positive and Negative Thermal Expansion

Liu, Z. K., Wang, Y. & Shang, S. L., Dec 2022, In: Journal of Phase Equilibria and Diffusion. 43, 6, p. 598-605 8 p.

Research output: Contribution to journalReview articlepeer-review

Understanding formation mechanisms of intermetallic compounds in dissimilar Al/steel joint processed by resistance spot welding

Pan, B., Sun, H., Shang, S. L., Banu, M., Wang, P. C., Carlson, B. E., Liu, Z. K. & Li, J., Nov 2022, In: Journal of Manufacturing Processes. 83, p. 212-222 11 p.

Research output: Contribution to journalArticlepeer-review

Tailoring critical Al concentration to form external Al2O3 scale on Ni–Al alloys by computational approach

Ross, A., Shang, S. L., Fang, H., Lindwall, G., Liu, X. L., Zhao, W., Gleeson, B., Gao, M. C. & Liu, Z. K., Dec 2022, In: Journal of the American Ceramic Society. 105, 12, p. 7770-7777 8 p.

Research output: Contribution to journalArticlepeer-review

Insight into ideal shear strength of Ni-based dilute alloys using first-principles calculations and correlational analysis

Shimanek, J. D., Shang, S., Beese, A. M. & Liu, Z. K., Sep 2022, In: Computational Materials Science. 212, 111564.

Research output: Contribution to journalArticlepeer-review

Predictive Crystal Plasticity Modeling of Single Crystal Nickel Based on First-Principles Calculations

Shimanek, J. D., Qin, S., Shang, S. L., Liu, Z. K. & Beese, A. M., 2022, (Accepted/In press) In: JOM.

Research output: Contribution to journalArticlepeer-review