Shunli Shang

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IEE Research Themes
Affiliate Researcher
Titles and Affiliations
Senior Scientist, Materials Science and Engineering

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Recent Publications

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., 2022, (Accepted/In press) In: Nature Chemistry.

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., 2022, (Accepted/In press) In: Journal of Phase Equilibria and Diffusion.

Research output: Contribution to journalReview articlepeer-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

Correlation analysis of materials properties by machine learning: Illustrated with stacking fault energy from first-principles calculations in dilute fcc-based alloys

Chong, X., Shang, S. L., Krajewski, A. M., Shimanek, J. D., Du, W., Wang, Y., Feng, J., Shin, D., Beese, A. M. & Liu, Z., Jul 2021, In: Journal of Physics Condensed Matter. 33, 29, 295702.

Research output: Contribution to journalArticlepeer-review

Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations

Chong, X. Y., Palma, J. P. S., Wang, Y., Shang, S. L., Drymiotis, F., Ravi, V. A., Star, K. E., Fleurial, J. P. & Liu, Z. K., Sep 15 2021, In: Acta Materialia. 217, 117169.

Research output: Contribution to journalArticlepeer-review

Underpinned exploration for magnetic structure, lattice dynamics, electronic properties, and disproportionation of yttrium nickelate

Du, J., Shang, S. L., Wang, Y., Zhang, A., Xiong, S., Liu, F. & Liu, Z. K., Jan 1 2021, In: AIP Advances. 11, 1, 015028.

Research output: Contribution to journalArticlepeer-review

ATOMIC STRUCTURE, DIFFUSIVITY AND VISCOSITY OF Al1-xMgx MELTS FROM ab initio MOLECULAR DYNAMICS SIMULATIONS

Gao, Q. N., Wang, J., Du, Y., Shang, S. L., Liu, Z. K. & Liu, Y. J., 2021, In: Journal of Mining and Metallurgy, Section B: Metallurgy. 57, 1, p. 31-40 10 p.

Research output: Contribution to journalArticlepeer-review