Publications

Manuscripts

  1. Sundar, A., Kim, T., Lagunas, F., Mane, A. U., Eze, U. D., Tepavcevic, S., . . . Connell, J. G. (n.d.). Computationally-guided development of sulfide solid electrolyte powder coatings for enhanced stability and performance of solid-state batteries. Under Review at Joule
  2. Sundar, A., Park, J., Park, H. P., Lee, E., Kim, J. J., & Zapol, P. (n.d.). Bayesian optimization of computed average voltage in entropy-stabilized metal fluoride conversion cathodes and their synthesis. In Press at Journal of Power Sources.
  3. Tan, X., Trehern, W., Sundar, A., Wang, Y., San, S., Lu, T., . . . Hu, S. (n.d.). Machine learning and high-throughput computational guided development of high temperature oxidation-resisting ni-co-cr-al-fe based high-entropy alloys. Under Review at npj Computational Materials.

Journal articles

  1. Sundar, A., Tan, X., Hu, S., & Gao, M. C. (2025). Calphad-based bayesian optimization to accelerate alloy discovery for high-temperature applications. Journal of Materials Research, 1–11 DOI
  2. Ercan, C., Mahmut, N. C., Sundar, A., Eugene, M., Jianguo, Y., Xunxiang, H., & Kory, D. L. (2024). Hydrogen motion in stoichiometric yttrium dihydride at elevated temperatures. Journal of Nuclear Materials, 593, 154972. DOI
  3. Jobes, D., Rubio-Ejchel, D., Lopez, L., Jenkins, W., Sundar, A., Tandoc, C., . . . Hu, Y.-J. et al. (2024). Computationally guided alloy design and microstructure-property relationships for non-equiatomic ti–zr–nb–ta–v–cr alloys with tensile ductility made by laser powder bed fusion. Materials Science and Engineering: A, 911, 146922.DOI
  4. Kim, J. J., Kc, B., Park, H., Sundar, A., Evmenenko, G., Buchholz, D. B., . . . Klie, R. F. et al. (2024). Strain-driven surface reactivity in magnesium-ion battery cathodes. Chemistry of Materials, 36(3), 1342–1351DOI
  5. Kim, T., Hood, Z. D., Sundar, A., Mane, A. U., Lagunas, F., Kumar, K., . . . Elam, J. W. et al. (2024). Suppressing atmospheric degradation of sulfide-based solid electrolytes via ultrathin metal oxide layers. ACS Materials Letters, 6(12), 5409–5417. DOI
  6. Park, J., Yang, Y., Park, H., Sundar, A., Lee, S., Kinnibrugh, T. L., . . . Klie, R. F. et al. (2024). Entropy-stabilized multication fluorides as a conversion-type cathode for li-ion batteries–impact of element selection. ACS applied materials & interfaces, 16(42), 57151–57161.DOI
  7. Sundar, A., Feinauer, A., Kinzer, B., Petrasch, J., Qi, L., & Bala Chandran, R. (2024). Thermodynamic, kinetic and mechanical modeling to evaluate co2-induced corrosion via oxidation and carburization in fe, ni alloys. Corrosion Science, 229, 111850.DOI
  8. Sundar, A., Yu, J., & Cinbiz, M. N. (2024). Effect of impurities on hydrogen defect stability and migration barrier in yttrium dihydride crystal. International Journal of Hydrogen Energy.DOI
  9. Hood, Z. D., Mane, A. U., Sundar, A., Tepavcevic, S., Zapol, P., Eze, U. D., . . . Elam, J. W. et al. (2023b). Multifunctional coatings on sulfide-based solid electrolyte powders with enhanced processability, stability, and performance for solid-state batteries. Advanced Materials, 35(21), 2300673. DOI
  10. Sundar. A, Bugallo-Ferron. D, Hu. Y, & Qi. L, (2022). Automated hierarchical screening of refractory multicomponent alloys with high intrinsic ductility and corrosion resistance, Accepted, MRS Communications
    DOI
  11. Sundar. A, Yu. J, Qi. L & Cinbiz. M, (2022). High temperature stability and transport characteristics of hydrogen in alumina via multiscale computation, In Press, International Journal of Hydrogen Energy DOI
  12. Sundar. A, Huang. Y, Cinbiz. M, & Yu. J, (2022). The impacts of charge transfer, localization, and metallicity on hydrogen retention and transport capacity, In Press, International Journal of Hydrogen Energy Volume 47, Issue 46, 20194-20204. DOI
  13. Hu, Y.,Sundar, A., Ogata, S., & Qi, L. (2021). Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys, Acta Materialia, 116800. DOI.
  14. Sundar, A., Chen, G., & Qi, L. (2021b). Substitutional adsorptions of chloride at grain boundary sites onhydroxylated alumina surfaces initialize localized corrosion. npj Materials Degradation, 5.link. DOI.
  15. Sundar, A., & Qi, L. (2021). Stability of native point defects in al2o3 under aqueous electrochemicalconditions. Journal of Applied Electrochemistry. DOI.
  16. Lu, H., Reese, C., Jeon, S.,Sundar, A., Fan, Y., Rizzi, E., . . . Goldman, R. (2020). Mechanisms of ganquantum dot formation during nitridation of ga droplets, Applied Physics Letters, 116(6), 062107 DOI.
  17. Li, W., Nomoto, K.,Sundar, A., Lee, K., Zhu, M., Hu, Z., . . . Gao, X. et al. (2019). Realization of ganpolarmos using selective-area regrowth by mbe and its breakdown mechanisms Japanese Journal ofApplied Physics, 58(SC), SCCD15. DOI.
  18. Vishwanath, S.,Sundar, A., Liu, X., Azcatl, A., Lochocki, E., Woll, A. R., . . . Peng, X. et al. (2018). Mbegrowth of few-layer 2h-mote2 on 3d substrates, Journal of Crystal Growth, 482, 61–69.. DOI.

Conference

  1. Sundar. A, Chen. G & Qi. L (2022). Title: Modeling of Chloride Effect on Localized Corrosion Initiation at Grain Boundary Sites of Passive Oxide Surfaces. In 2022 mrs spring meeting & exhibit, Honolulu, USA.
  2. Sundar. A, Bugallo-Ferron. D, Hu. Y & Qi. L (2022). Title: Computational Search for BCC Refractory Alloys with Enhanced Strength, Ductility and Corrosion Resistance. In 2022 mrs spring meeting & exhibit, Honolulu, USA.
  3. Sundar. Aditya. Chen. G, & Qi. L (2021). Title: Electronic structure mechanisms to explain the onset of Cl-induced localised corrosion in Al2O3. In The Minerals, Metals \& Materials Society 2021 Annual Meeting & Exhibition, Orlando, USA
  4. Hu. Y, Sundar. Aditya, & Qi. L (2021). Title: Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys. In The Minerals, Metals \& Materials Society 2021 Annual Meeting & Exhibition, Orlando, USA
  5. Sundar. Aditya, Kinzer. B, & Bala Chandran. R (2021). Title: Oxidation and Carburization Behavior of Iron- and Nickel-based Alloys in Supercritical CO2 Environments. 2021 MRS Spring Meeting \& Exhibit, Phoenix, USA
  6. Kinzer. B, Sundar. Aditya, & Bala Chandran. R (2021). Title: Oxide Dispersion Particle Clustering Using Phase Field Modelling in Nickel-Based Superalloys. 2021 MRS Spring Meeting \& Exhibit, Phoenix, USA
  7. Sundar. A, & Qi. L (2019). Title: Electric Field Dependent Ionic Transport in Passive Corundum Al2O3 from DFT: Application to Localized Corrosion. In 2019 mrs fall meeting & exhibit, Boston, USA.