Shunli Shang
Affiliate Researcher
Titles and Affiliations
Research Professor, Materials Science and Engineering
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Recent Publications
Thermal oxidation and high temperature structural behavior of uranium carbide
Kindall, E. C., Yaw, N. S., Wilkins, M. C. D., Liu, J., Karcher, S., Merrill, B., Gong, R., Shang, S. L., Liu, Z. K., McCloy, J. S., Xu, H., Terricabras, A. J., Paisner, S. W., van Veelen, A., White, J. T. & Guo, X., Dec 2026, In: npj Materials Degradation. 10, 1, 19.Research output: Contribution to journal › Article › peer-review
Temperature-dependent thermodynamic properties of CrNbO4 and CrTaO4 by first-principles calculations
Lin, S., Shang, S. L., Beese, A. M. & Liu, Z. K., Aug 2026, In: International Journal of Refractory Metals and Hard Materials. 138, 107728.Research output: Contribution to journal › Article › peer-review
Laser directed energy deposited SS316L/IN625 bimetallic structure with gradient transition composition: Microstructure and local performance studies
Pan, B., Lia, F., Ma, H., Geng, P., Sun, H., Xie, D., Shang, S., Li, N., Joshi, S. B., Liu, Z. K. & Li, J., May 2026, In: Materials Characterization. 235, 116255.Research output: Contribution to journal › Article › peer-review
ZENN: A thermodynamics-inspired computational framework for heterogeneous data–driven modeling
Wang, S., Shang, S. L., Liu, Z. K. & Hao, W., Jan 6 2026, In: Proceedings of the National Academy of Sciences of the United States of America. 123, 1, e2511227122.Research output: Contribution to journal › Article › peer-review
Thermal Conductivity and Thermal Diffusivity of Molten Salts: Insights from Molecular Dynamics Simulations and Fundamental Bounds
Cockrell, C., Withington, M., Devereux, H. L., Elena, A. M., Todorov, I. T., Liu, Z. K., Shang, S. L., McCloy, J. S., Bingham, P. A. & Trachenko, K., Feb 27 2025, In: Journal of Physical Chemistry B. 129, 8, p. 2271-2279 9 p.Research output: Contribution to journal › Article › peer-review
Thermodynamics and transport in molten chloride salts and their mixtures
Cockrell, C., Withington, M., Devereux, H. L., Elena, A. M., Todorov, I. T., Liu, Z. K., Shang, S. L., McCloy, J. S., Bingham, P. A. & Trachenko, K., Jan 21 2025, In: Physical Chemistry Chemical Physics. 27, 3, p. 1604-1615 12 p.Research output: Contribution to journal › Article › peer-review
A hybrid calorimetry-simulation model of mixing enthalpy for molten salt
Goncharov, V. G., Smith, W., Li, J., Eakin, J. A., Reinhart, E. D., Boncella, J., Gibson, L. D., Bryantsev, V. S., Gong, R., Shang, S. L., Liu, Z. K., Xu, H., Clark, A. & Guo, X., Dec 2025, In: Communications Chemistry. 8, 1, 300.Research output: Contribution to journal › Article › peer-review
Determination of Site Occupancy in the M-Pd-Zn (M = Cu, Ag, and Au) γ-Brass Phase by CALculation of PHAse Diagrams Modeling and Rietveld Refinement
Gong, R., Dasgupta, A., Shang, S. L., He, H., Kirkham, M., Zimmerer, E. K., Canning, G. A., Janik, M. J., Rioux, R. M. & Liu, Z. K., Feb 3 2025, In: Inorganic chemistry. 64, 4, p. 1690-1701 12 p.Research output: Contribution to journal › Article › peer-review
Thermodynamic modeling of the LiCl-KCl-LaCl3 system with Bayesian model selection and uncertainty quantification
Gong, R., Shang, S. L., Goncharov, V. G., Cockrell, C., Trachenko, K., Bingham, P. A., Guo, X. & Liu, Z. K., Aug 15 2025, In: Journal of Molecular Liquids. 432, 127811.Research output: Contribution to journal › Article › peer-review
Fully Transparent Epitaxial Oxide Thin-Film Transistor Fabricated at Back-End-of-Line Temperature by Suboxide Molecular-Beam Epitaxy
Hensling, F. V. E., Vogt, P., Park, J., Shang, S. L., Ye, H., Wu, Y. M., Smith, K., Show, V., Azizie, K., Paik, H., Jena, D., Xing, H. G., Suyolcu, Y. E., van Aken, P. A., Datta, S., Liu, Z. K. & Schlom, D. G., Mar 2025, In: Advanced Electronic Materials. 11, 3, 2400499.Research output: Contribution to journal › Article › peer-review
Density Functional Theory ToolKit (DFTTK) to automate first-principles thermodynamics via the quasiharmonic approximation
Hew, N. L. E., Myers, L. A., van de Walle, A., Shang, S. L. & Liu, Z. K., Aug 2025, In: Computational Materials Science. 258, 114072.Research output: Contribution to journal › Article › peer-review
3D misfit potentials dependent deformation behaviors with respect to different dislocation core structures of fcc metals
Li, H., Du, J., Shang, S. L., Liu, Z. K. & Liu, F., Jun 2025, In: Physical Review Materials. 9, 6, 063604.Research output: Contribution to journal › Article › peer-review
Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning
Lim, R. E., Shang, S. L., Chuang, C., Phan, T. Q., Liu, Z. K. & Pagan, D. C., Mar 1 2025, In: Acta Crystallographica Section A: Foundations of Crystallography. 81, Pt 2, p. 137-150 14 p.Research output: Contribution to journal › Article › peer-review
Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis
Lin, S., Shang, S., Shimanek, J. D., Wang, Y., Beese, A. M. & Liu, Z. K., Jan 2025, In: Materials Today Communications. 42, 111271.Research output: Contribution to journal › Article › peer-review
Revealing symmetry-broken superconducting configurations by density functional theory
Liu, Z. K. & Shang, S. L., Jul 1 2025, In: Superconductor Science and Technology. 38, 7, 075021.Research output: Contribution to journal › Article › peer-review
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