Refereed Journal Publications
75. Guangchen Liu, Songge Yang, Yu Zhong. High-entropy materials design by integrating the first-principles calculations and machine learning: a case study in the Al-Co-Cr-Fe-Ni system, 2023.
74. Rui Wang, Lucas R. Parent, Songge Yang, Yu Zhong. Insight into the sulfur poisoning mechanism of La2NiO4 Ruddlesden-Popper cathode in the presence of SO2, Materials Today Chemistry, submitted, 2023. Shared data.
73. Hooman Sabarou, Rui Wang, Zigui Lu, Yu Zhong, “A Computational-Assisted Approach to Developing Dual-Phase Composite Materials for Oxygen Transport Membranes (OTMs)”, Surface & Coatings Technology., submitted, 2023
72. Songge Yang, Guangchen Liu, Yu Zhong, Ab initio Investigations on the Electronic Properties and Stability of Cu-Substituted Lead Apatite (LK-99) family with different doping concentrations (x=0, 1, 2), Materials Today Communications, submitted, 2023
71. Jicheng Guo, Yifan Zhang, Karl Ludwig, Haoxuan Yan, Alexander Levy, Anubhav Wadehra, Michael Gao, Chris Benmore, Melissa Rose, Nicholas Condon, Adam Powell, Yu Zhong, Uday Pal, “X-ray and Molecular Dynamics Study of the Temperature-Dependent Structure of FLiNaK”, Journal of Nuclear Materials, Accepted, 2023
70. Songge Yang, Yi Wang, Michael Gao, Zi-kui Liu, Brajendra Mishra, Yu Zhong. Ab Initio Modeling on The Thermodynamic and Temperature-Dependent Elastic Properties of Subsystems of The FCC FeNiCoCr Medium Entropy Alloys (MEAs), Acta Materialia Vol 260, 119341, 2023.
68. Songge Yang, Guangchen Liu, Yueh-Lin Lee, Jean-Marc Bassat, Jacinthe Gamon, Antoine Villesuzanne, John Pietras, Xiao-Dong Zhou, Yu Zhong, “A Systematic Ab Initio Study of Diffusivity and Ionic Conductivity of Ln2NiO4+δ (Ln=La, Nd, Pr)”, Journal of Power Sources 576 (2023) 233200
67. Rui Wang, Lucas R. Parent, Yu Zhong, “Sulfur Poisoning Mechanism of LSCF Cathode Material In The Presence of SO2: A Computational And Experimental Study”, Journal of Materials Informatics, J Mater Inf 2023;3:3
65. Jinzhao Fu, Songge Yang, Jiahui Hou, Zeyi Yao, Xiaotu Ma, Yangtao Liu, Panawan Vanaphuti, Zifei Meng, Zhenzhen Yang, Yu Zhong, Yan Wang, “Modeling Assisted Synthesis of Zr-doped Li3-xIn1-xZrxCl6 with Ultrahigh Ionic Conductivity for Lithium-Ion Batteries, Journal of Power Sources, Vol.556, 232465 (2023).
64. Rui Wang, Lucas R. Parent, Srikanth Gopalan, Yu Zhong, “Experimental And Computational Investigations On The SO2 Poisoning Of LSM Cathode Materials”, Advanced Powder Materials, Vol.2, No. 1, 2023, 100062
63. Jize Zhang, Rui Wang, Yu Zhong, “Identification Of The Eutectic Points In The Multicomponent Systems With The High-Throughput CALPHAD Approach” Journal of Phase Equilibria and Diffusion, J. Phase Equilib. Diffus. 43, 844–857 (2022)
62. Yu Zhong, Rui Wang, Vadym Drozd, Dan Lowry, Hooman Sabarou, Yashdi Saif Autul, Sarin Pankaj, “Weight Change Mechanism of Lanthanum Strontium Manganite (LSM) During Thermal Cycles”, JOM 74, 4533–4543 (2022)
61. Vadym Drozd, Mohammad Asadikiya, Songge Yang, Yu Zhong, “Energy and Mechanical Properties Predictions in Fe-Ni Binary System by ab initio Calculations”, Materials Today Communications, Vol. 33, 2022, 104118
60. Songge Yang, Guangchen Liu, Yu Zhong, “Revisit the VEC criterion in high entropy alloys (HEAs) with high-throughput ab initio calculations: A case study with Al-Co-Cr-Fe-Ni system”, Journal of Alloys and Compounds, Volume 916, 25 September 2022, 16547
59. Jingfeng Zhang, Christian Gadelmeier, Sandipan Sen, Rui Wang, Xi Zhang, Yu Zhong, Uwe Glatzel, Blazej Grabowski, Gerhard Wilde, and Sergiy V. Divinski, “Zr diffusion in BCC refractory high entropy alloys: A case of ‘non-sluggish’ diffusion behavior”, Acta Materialia, Vol.233, 2022, 117970
55. Yu Zhong, Shadi Darvish, Benjamin Levitas, Tauny Tambolleo, Srikanth Gopalan, Mei Yang, “An Insight from the CALPHAD approach: How to Control the LaMnO3 Perovskite Formation Via the Molten Salt Synthesis”, Journal of Phase Equilibria and Diffusion,42, pages 419–427 (2021)
54. Mohammad Asadikiya, Songge Yang, Yifan Zhang, Connor Lemay, Diran Apelian, and Yu Zhong, “Design of Aluminum Alloys: A Pathway for Novel Al Alloys“, Journal of Materials Science, 56, 12093–12110(2021)
53. Mei Yang, Bryer C. Sousa, Richard Smith, Hooman Sabarou, Danielle Cote, Yu Zhong, Richard D. Sisson, “Bainitic Transformations and Mechanical Properties of Austempered AISI 5160 Steel”, Materials Performance and Characterization, 10, no. 1 (2021): 110-125.
52. Ali Jammal, Gang Wang, Hanbo Yang, Songge Yang, Yu Zhong, Yiming Rong, “Thermodynamic calculation and characterization of carbide precipitation in laser-deposited material for high speed steel alloy”, Journal of Materials Engineering and Performance, 30, pages 1825–1837 (2021)
51. Aditya Moudgal, Sarat Buasai, Yi Jie Wu, Alexander McMahon, Mohammad Asadikiya, Adam Powell, Uday Pal, Yu Zhong, “Finite Element Analysis and Techno-Economic Modeling of Solar SiliconMolten Salt Electrolysis”, JOM, 73, 233–243(2021)
50. Songge Yang, Jun Lu, Fangzhou Xing, Lijun Zhang, Yu Zhong, “Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al–Co–Cr–Fe–Ni system“, Acta Materialia, Vol.192, 2020, pp.11-19
49. Hooman Sabarou, Rui Wang, Yu Zhong, “The Origin of the Phase Separation in (La0.8Sr0.2)0.95(CrxFe1-x)O3±δ Perovskites for Oxygen Transport Membranes Applications”, Solid State Ionics, Vol.349, 115293, 2020
48. Andrew Smith, Mohammad Asadikiya, Jiuhua Chen, and Yu Zhong, “The Compositional Optimization and Secondary Phases Evaluation Regarding the Creep Resistance in Grade 91 Steel through the CALPHAD approach”, Computational Materials Science, Vol.177, 109591, 2020
47. Ali Jammal, JiaXin Zhao, HanBo Yang, SongGe Yang, Yu Zhong, Yiming Rong, Gang Wang, “Multi-scale modelling of solidification and microstructure evolution in laser-deposition of T15 high speed steel”, Journal of Manufacturing Processes, Vol.50, pp.24-33, 2020
46. Mohammad Asadikiya, Vadym Drozd, Songge Yang, Yu Zhong, “Enthalpies and Elastic Properties of Ni-Co Binary System by ab initio Calculations and an Energy Comparison with the CALPHAD Approach”, Materials Today Communications, Vol.23, 100905, 2020
44. Sheng Luo; Gang Wang; Yisen Hu; Yu Zhong; Yiming Rong, “Effect of quenching rate and its coupling model on precipitation and strength of Al-Cu-Cd alloys”, Materials Science & Engineering A, Vol.761, 2019, 138022
43. Yu Zhong, Hooman Sabarou, Xiaotian Yan, Mei Yang, Michael C.Gao, Xingbo Liu, Richard D. Sisson Jr. “Exploration of high entropy ceramics (HECs) with computational thermodynamics – A case study with LaMnO3±δ“, Materials and Design, Vol.182, 2019, 108060
42. Fangzhou Xing, Na Ta, Jing Zhong, Yu Zhong, Lijun Zhang, “Kinetic Modeling of High-temperature Oxidation of Pure Nickel and a Revisit of Wagner’s Theory”, Solid State Ionics, Vol.341, 2019, 115018
41. Cheng Cheng Wang, Shadi Darvish, Kongfa Chen,Bingxue Hou, Zanxiong Tan, Yu Zhong, San Ping Jiang, “Combined Cr and S poisoning of La0.8Sr0.2MnO3-δ (LSM) cathodes for solid oxide fuel cells”, Electrochimica Acta, Volume 312, 2019, pp.202-212
39. M. Asadikiya, Y. Zhong, M. Ghorbani, “Corrosion Study of Aluminum Alloy 3303 in Water-Ethylene Glycol Mixture: Effect of Inhibitors and Thermal Shocking”, International Journal of Corrosion, ID 9020489 ,2019
38. H. Sabarou, V. Drozd, O. Awadallah, A. Durygin, S. Darvish, D. Huang, Y Zhong, “The Role of Oxygen Partial Pressure in Structural Instability of PMN-28PT”, Journal of Alloys and Compounds, Vol.784, 2019, pp.592-602
34. Darvish, Shadi, et al. “Thermodynamic stability mapping and electrochemical study of La1-xSrxCo0. 2Fe0. 8O3±δ (x= 0.2–0.4) as a cathode of solid oxide fuel cells in the presence of SO2.” Electrochimica Acta (2018).
33. M. Asadikiya, Y. Zhong, “Oxygen Ion Mobility and Conductivity Prediction in Cubic Yttria-Stabilized Zirconia Single Crystals”, Journal of Materials Science, Volume 53, Issue 3, 2018, pp. 1699-1709
32. M. Asadikiya, Y. Zhu, S. Gopalan, Y.-c. Chuang, P.-c. Tsai, R.N. Nasara, S.-k. Lin, Y. Zhong, “Integrated Investigation of the Li4Ti5O12 Phase Stability”, Ionics, Volume 24, Issue 3, pp 707–713, 2018
31. S. Gupta; H. Sabarou; Y. Zhong; P. Singh, “Role of chromium: Iron ratio and oxygen partial pressure on the processing and chemical stability of iron doped lanthanum strontium chromite based OTM”, International Journal of Hydrogen Energy, Vol. 42, Issue 40, 2017, pp. 25351-25358
30. H. Sabarou, S. Darvish, S. Gupta, P. Singh, Y. Zhong, “Thermodynamic Assessment of the Chemical Stability of (La0.8Sr0.2)0.98CrxFe1-xO3±δ under OTM Fabrication and Operation Conditions”, Solid State Ionics, Vol. 310, 2017, pp. 1-9.
29. Z. Lu, S. Darvish, J. Hardy, J. Templeton, J. Stevenson, Y. Zhong, “SrZrO3 formation at the interlayer/electrolyte interface during (La1-xSrx)1-δCo1-yFeyO3 cathode sintering”, Journal of Electrochemical Society, Vol. 164, Issue 10, 2017, F3097-F3103.
27. M. Asadikiya, C. Rudolf, C. Zhang, B. Boesl, A. Agarwal, Y. Zhong, “The Effect of Sintering Parameters on Spark Plasma Sintering of B4C”, Ceramics International, Volume 43, Issue 14, 2017, pp. 11182-11188.
26. C. Wang, K. Chen, M. R. Rowles,J. Hyodo, S.-S. Liu, T. Ishihara,S. Darvish, Y. Zhong, S. P. Jiang, , “Effect of SO2 Poisoning on the Electrochemical Activity of La0.6Sr0.4Co0.2Fe0.8O3-δ Cathodes of Solid Oxide Fuel Cells”, Journal of The Electrochemical Society 164(6), 2017, F514-F524.
25. M. Asadikiya, C. Rudolf, C. Zhang, B. Boesl, A. Agarwal, Y. Zhong, “Thermodynamic Modeling and Investigation of the Oxygen Effect on the Sintering of B4C”, Journal of Alloys and Compounds, Vol. 699, 2017, pp.1022-1029.
24. S. Gupta; H. Sabarou; Y. Zhong; P. Singh, “Phase evolution and electrochemical performance of iron doped lanthanum strontium chromite in oxidizing and reducing atmosphere” International Journal of Hydrogen Energy,Volume 42, Issue 9, 2017, Pages 6262–6271
23. S. Darvish, S. Gopalan, Y. Zhong,”Thermodynamic stability maps for the La0.6Sr0.4Co0.2Fe0.8O3±δ–CO2–O2 system for application in solid oxide fuel cells” Journal of Power Sources, vol. 336, 2016, pp. 351-359.
22. S. Darvish, M. Asadikiya, Boxun Hu, Prabhakar Singh, Y. Zhong, “Thermodynamic Prediction of the Effect of CO2 on the Stability of (La0.8Sr0.2)0.98MnO3±δ System” International Journal of Hydrogen Energy, vol. 41, Issue 24, 2016, pp. 10239-10248.
20. S. Gupta, Y. Zhong, P. Singh, “Processing and electrochemical performance of manganese-doped lanthanum-strontium chromite in oxidizing and reducing atmospheres” International Journal of Hydrogen Energy, vol. 40, Issue 39, 2015, pp. 13479–13489.
19. S. Darvish, H. Sabarou, S. K. Saxena and Y. Zhong, “Quantitative Defect Chemistry Analysis and Electronic Conductivity Prediction Of La0.8Sr0.2MnO3±δ Perovskite” Journal of the Electrochemical Society, vol. 162, Issue 9, 2015, pp. E134-E140.
17. Y. Zhong, D. D. MacDonald, “Thermodynamics of the Zr-H Binary System Related to Nuclear Fuel Sheathing and Pressure Tube Hydriding”, Journal of Nuclear Materials, vol. 423, Issue 1, 2012, pp. 87-92.
16. C. Levy, Y. Zhong, C. Morel, S. Marlin, ” Thermodynamic Stabilities of La2Zr2O7 and SrZrO3 in SOFC and Their Relationship with LSM Synthesis Processes”, Journal of the electrochemistry society, vol.157, Issue 11, 2010, pp. B1597-B1601.
15. M. Yang, Y. Wang, Y. Zhong, and Z. K. Liu, “Defect Chemistry and Thermodynamic Modeling of LaCoO3-δ”, Solid State Ionics, vol.178 Issue 15-18, 2007, pp. 1027-1032.
14. Y. Zhong, J. Liu, R. A. Witt, Y. H. Sohn, and Z. K. Liu, “Al2(Mg,Ca) Phases in Mg-Al-Ca Ternary System: First-Principles Prediction and Experimental Identification”, Scripta Materialia, Vol. 55, No.6, 2006, pp.573-576.
13. Y. Zhong, J. Sofo, A. A. Luo, and Z. K. Liu, “Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems”, Journal of Alloys and Compounds, Vol.421, 2006, pp.172-178.
12. Y. Zhong, K. Ozturk, J. Sofo, and Z. K. Liu, “Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling”, Journal of Alloys and Compounds, Vol. 420, No.1-2, 2006, pp.98-106.
11. S.J. Zhang, C. Brubaker, C. Jiang, M. Yang, Y. Zhong, Q.Y. Han, Z.K. Liu, “A combined first-principles calculation and thermodynamic modeling of the F-K-Na system”, Materials Science and Engineering A, Vol.418 No.1-2, 2006, pp.161-171.
10. Y. Zhong, M. Yang, and Z. K. Liu, “Contribution of First-Principles Energetics to the Al-Mg Thermodynamic Database”, CALPHAD, 2005, pp. 303-311.
9. Y. Zhong, A. A. Luo, J. Sofo, and Z. K. Liu, ” First-Principles Investigation of Laves Phases in Mg-Al-Ca System”, Materials Science Forum, Vol. 488-489, 2005, pp. 169-175.
8. K. Ozturk, Y. Zhong, L. Q. Chen, C. Wolverton, J. Sofo and Z. K. Liu, “Linking First-Principles Energetics to CALPHAD: An Application to Thermodynamic Modeling of the Al-Ca Binary System”, Metall. Mater. Trans. A, Vol.36, 2005, pp.5-13.
7. Y. Zhong, C. Wolverton, Y. Austin Chang and Z. K. Liu, “A Combined CALPHAD/First-Principles Remodeling of the Thermodynamics of Al-Sr:Unsuspected Ground State Energies by “Rounding up the (Un)usual Suspects””, Acta Metall. Vol. 52, No. 9, 2004, pp. 2739-2754.
6. Y. Zhong, K. Ozturk and Z. K. Liu, “Thermodynamic modeling of the Ca-Sr-Zn ternary system”, Journal of Phase Equilibria, Vol.24, 2003, pp. 340-346.
5. K. Ozturk, Y. Zhong, A. A. Luo and Z. K. Liu, “Creep resistant Mg-Al-Ca alloys: Computational thermodynamics and experimental investigation”, JOM, Vol.55, 2003, pp. A40-A44.
4. Z. K. Liu, Y. Zhong, D. G. Schlom, X. X. Xi and Q. Li,”Computational thermodynamic modeling of the Mg-B system” CALPHAD, 25 (2001) 299-303.
3. X. X. Xi, X. H. Zeng, A. V. Pogrebnyakov, A. Soukiassian, S. Y. Xu, Y. F. Hu, E. Wertz, Q. Li, Y. Zhong, C. O. Brubaker, Z. K. Liu, E. M. Lysczek, J. M. Redwing, J. Lettieri, D. G. Schlom, W. Tian, H. P. Sun and X. Q. Pan, “Deposition and properties of superconducting MgB2 thin films”, Journal of Superconductivity, Vol.16, 2003, pp. 801-806.
2. X. X. Xi, X. H. Zeng, A. V. Pogrebnyakov, S. Y. Xu, Q. Li, Y. Zhong, C. O. Brubaker, Z. K. Liu, E. M. Lysczek, J. M. Redwing, J. Lettieri, D. G. Schlom, W. Tian and X. Q. Pan, “In situ growth of MgB2 thin films by hybrid physical-chemical vapor deposition”, IEEE T. Appl. Supercon., Vol.13, 2003, pp. 3233-3237.
1. X. X. Xi, X. H. Zeng, A. Soukiassian, J. Jones, J. Hotchkiss, Y. Zhong, C. O. Brubaker, Z. K. Liu, J. Lettieri, D. G. Schlom, Y. F. Hu, E. Wertz, Q. Li, W. Tian, H. P. Sun and X. Q. Pan,”Thermodynamics and thin film deposition of MgB2 superconductors” Supercond. Sci. Technol., 15 (2002) 451-457.
2. S. Darvish, M. Asadikiya, M. Yang, Y. Zhong, “The Application of Computational Thermodynamics to the Cathode-Electrolyte in SolidOxide Fuel Cells”, Ed. J. Liu, Nanostructured Materials for Next-Generation Energy Storage and Conversion, Springer-Nature, 2017
1. Y. Zhong, Z.K. Liu, “Alloy Development – Application of Computational Thermodynamics”, Ed. M. Pohlig, Encyclopedia of Magnesium and Its Alloys, Taylor & Francis Group, accepted, 2018
Non-Refereed Bound Research Proceedings
11. A. Smith, M. Asadikiya, Y. Zhong, “The Fundamental Thermodynamic Investigation on the Grade 91 Alloy”, accepted, MS&T 2017
10.H. Sabarou, Y. Zhong, “Investigation on the Phase Stability of Perovskite in La-Sr-Cr-Fe-O System”, Advances in Solid Oxide Fuel Cells and Electronic Ceramics II: Ceramic Engineering and Science Proceedings Volume 37, Issue 3
9. Y. Zhang, G. Wang, Y. Zhong, Y. Rong, “The Material Mechanism of Hydrogen/ Vacuum Annealingon Soft Magnetic Properties for 1J50 Alloy”, Phase Stability, Diffusion Kinetics, and their Applications (PSDK-X), accepted, MS&T 2015.
8. Mohammad Asadikiya, Christopher Rudolf, Cheng Zhang, Benjamin Boesl, Yu Zhong, “The Role Of Calphad Approach In The Sintering Of B4C With SiC As A Sintering Aid By Spark Plasma Sintering Technique”, 11th International Conference on Ceramic Materials and Components for Energy and Environmental Applications (CMCEE 2015)
7. S. Darvish, A. Karbasi, S. K. Saxena and Y. Zhong, “ Weight Loss Mechanism of (La0.8Sr0.2)0.98MnO3±δ During Thermal Cycles”, Mechanical Properties and Performance of Engineering Ceramics and Composites X, 2015, pp.93-99.
6. S. Darvish, S. K. Saxena and Y. Zhong, “Quantitative Analysis of (La0.8Sr0.2)0.98MnO3±δ Electronic Conductivity Using Calphad Approach”, Developments in Strategic Ceramic Materials, 2015, pp.179-189.
5. C. Levy, Y. Zhong, C. Morel, S. Marlin, “Fused LSM: a novel powder limiting the formation of La2Zr2O7 and SrZrO3 resistive phases at the interface with YSZ in SOFC cathodes”, ECS Transactions, Vol.25 Issue 2, 2009, pp. 2815-2823.
4. Y. Zhong, A. Luo, J. F. Nie, J. O. Sofo and Z.-K. Liu, “New Phases in Mg-Al-Ca System,” N. R. Neelameggham, H. I. Kaplan, B. R. Powell, Eds., Magnesium Technology 2005, San Francisco, CA, USA, pp.185-190.
3. Y. Zhong, A. Luo, J. Sofo, and Z. K. Liu, ” Laves Phases in Mg-Al-Ca Alloys”, A. Luo, Ed., Magnesium Technology 2004, Charlotte, NC, USA, pp. 317-323.
2. Y. Zhong, K. Ozturk, Z. K. Liu and A. A. Luo, “Computational thermodynamics and experimental investigation of the Mg-Al-Ca-Sr alloys”, H. I. Kaplan, Ed., Magnesium Technology 2002, Seattle, WA, USA, pp. 69-73.
1. Y. Ozturk, Y. Zhong, Z. K. Liu and A. A. Luo, “Computational thermodynamics and experimental investigation of Mg-Al-Ca alloys”, J. N. Hryn, Ed., Magnesium Technology 2001, New Orleans, LA, USA, pp. 113-117.
Patents and Invention Disclosures
1. C. Reilly and Y. Zhong, Silicon Carbide Body and Method of Forming Same, US 20120171463 A1, WO2012092587A3
2. Clark, N. Bhiwankar, Y. Zhong, V. Rajamani, G. Dorairaju, C. Honeker, J. Mulet, and M. Berard, A film for photovoltaic devices, US 20120282437A1, WO 2012150951A1
3. 10 Invention disclosures