Refereed Journal Publications


64. Yangyang Fan, Mohammad Asadikiya, Vadym Drozd, Yu Zhong, and Diran Apelian, “Development of an Optimized Two-Step Heat Treatment Schedule of a Novel Castable Al-Mg-Zn alloy”, Metall. Trans. A, Submitted, 2019

63. Songe Yang, Yi Wang, Zi-Kui Liu, Yu Zhong, “Ab initio Simulations on the Pure Cr Lattice stability at 0K: Verification with the Fe-Cr and Ni-Cr Binary Systems”, CALPHAD, Accepted, 2021

62. Fangzhou Xing, Yu Zhong, Lijun Zhang, “Integration of DFT, CALPHAD and numerical simulations for quantitative descriptions of phase transition in lithium battery cathodes and its effects on the capacity fade – A case study in Li-Mn-O system”, Journal of Materials Science & Technology, submitted, 2021

61. Fangzhou Xing, Yu Zhong, Lijun Zhang, “Ionic diffusion-induced phase transition from the spinel LixMn2O4 to t-LiMnO2 and its effect on the evolution of capacity fade: A quantitative numerical study”, Chemistry of Materials, submitted, 2021

60. Fangzhou Xing, Yu Zhong, Lijun Zhang, “Integration of DFT, CALPHAD and numerical simulations for quantitative descriptions of ionic diffusion-induced phase transition from spinel  LixMn2O4 to t-LiMnO2 and its effect on the evolution of capacity fade”, Acta Materialia, submitted, 2021

59. Hooman Sabarou, Zigui Lu, Yu Zhong,  “A Computational-Assisted Approach to Developing Dual-Phase Composite Materials for Oxygen Transport Membranes (OTMs)”, Journal of Materials Chemistry A, submitted, 2020

58. Vadym Drozd, Mohammad Asadikiya, Songge Yang, Yu Zhong, “Energy and Mechanical Properties Predictions in Fe-Ni Binary System by ab initio Calculations”, Journal of Alloys and Compounds, Accepted, 2020

57.Mohammad Asadikiya, Yifan Zhang, Libo Wang, Diran Apelian, Yu Zhong, “Design of Ternary High-Entropy Aluminum Alloys (HEAls)”, Journal of Alloys and Compounds, accepted, 2021

56. Songge Yang, Yu Zhong, “Ab Initio Modeling of fcc Fe-Co-Cr-Ni High Entropy Alloys with Full Composition Range”, Journal of Phase Equilibria and Diffusion, accepted, 2021

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, Accepted, 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, 2020

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

45. A. Smith, M. Asadikiya, M. Yang, J. Chen, Y. Zhong, “Investigation of the Creep Resistance in Grade 91 Steel Through Computational Thermodynamics” Engineering, Vol.6, Issue 6, , 2020, pp.644-652

Chinese version: Grade 91钢抗蠕变性能的计算热力学研究


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 LiuRichard 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

40. Joonho Lee, Christopher Schuh, Jian Luo, Yu Zhong, “Foreword: Thermodynamics of Nanomaterials”, CALPHAD, Vol.65, 2019, 402

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

37. S. Darvish, B. Hu, P. Singh, Y. Zhong, “Thermodynamic and Experimental Evaluation of La1-xSrxMnO3±δ Cathode in the Presence of Cr-Containing Humidified Air” JOM, Vol.71, 2019, pp.3814-3824


36. Asadikiya, Mohammad, Paniz Foroughi, and Yu Zhong. “Re-evaluation of the thermodynamic equilibria on the zirconia-rich side of the ZrO 2-YO 1.5 system.” Calphad 61 (2018): 264-274.

35. Li, Na, et al. “Evolution of porous YSZ surface morphology in YSZ‐MnOx system.” Journal of the American Ceramic Society 101.10 (2018): 4802-4811.

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 3pp 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.

28. H. Sabarou, D. Huang, Y. Zhong, “Thermodynamic Investigation on the PMN-PT Stoichiometry Change During Thermocycling”, Ceramics International, Vol. 43, Issue 15, 2017, pp. 12249-12257

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.

21. M. Asadikiya, H. Sabarou, M. Chen, Y. Zhong, “Phase Diagram for Nano Yttria-Stabilized Zirconia System”, RSC Advances, vol. 6, 2016, pp. 17438-17445.


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.


18. Y. Zhong, A. Saengdeejing, L. Kecskes, B. Klotz, and Z. K. Liu, “Thermodynamic modeling of Cu-Hf binary system”, Acta Materialia, Vol. 61, Issue 2, 2013, pp. 660-669.

Before 2013

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.

Book Chapters

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