Journal Publications

  1. “First-principles investigation of the phase stability and early stages of precipitation in Mg-Sn alloys”
    K. Wang, D. Cheng, C. L. Fu, B. C. Zhou
    Phys. Rev. Mat. 4, 013606 (2020) DOI: 10.1103/PhysRevMaterials.4.013606​​
    • Selected as Editors’ Suggestions
  2. “Interfacial stability of θ'/Al in Al-Cu alloys”
    K. Kim, B. C. Zhou, C. Wolverton
    Scripta Mater. 159 (2019) 99-103 DOI: 10.1016/j.scriptamat.2018.09.018
  3. “First-principles thermodynamic theory of Seebeck coefficients”
    Y. Wang, Y. J. Hu, S. L. Shang, B. C. Zhou, Z. K. Liu, L. Q. Chen
    Phys. Rev. B 98, 224101 (2018) DOI: 10.1103/PhysRevB.98.224101
  4. “A first-principles based description of the Hf-Ni system supported by high-temperature synchrotron experiments”
    A. Ross, G. Lindwall, M. J. Kramer, X. Liu, P. Ray, T. Gheno, B. Gleeson, B. C. Zhou, Z. K. Liu, S. L. Shang
    Thermochimica Acta 668 (2018) 142-151 DOI: 10.1016/j.tca.2018.08.011
  5. “Crystal structure, energetics, and phase stability of strengthening precipitates in Mg alloys: A first-principles study”
    D. Wang, M. Amsler, V. I. Hedge, J. E. Saal, A. Issa, B. C. Zhou, X. Zeng, C. Wolverton
    Acta Mater. 158 (2018) 65-78 DOI: 10.1016/j.actamat.2018.07.041
  6. “Energetics of native defects, solute partitioning, and interfacial energy of Q precipitate in Al-Cu-Mg-Si alloys”
    K. Kim, A. Bobel, V. Brajuskovic, B. C. Zhou, M. Walker, G. B. Olson, P. W. Voorhees, C. Wolverton
    Acta Mater. 154 (2018) 207-219 DOI: 10.1016/j.actamat.2018.05.031
  7. “First-principles study of crystal structure and stability of T1 precipitates in Al-Li-Cu alloys”
    K. Kim, B. C. Zhou, and C. Wolverton
    Acta Mater. 145 (2018) 337-346 DOI: 10.1016/j.actamat.2017.12.013
  8. “Adsorption-controlled growth of La-doped BaSnO3 by molecular-beam epitaxy”
    H. Paik, Z. Chen, E. Lochocki, A. Seidner H., A. Verma, N. Tanen, J. Park, M. Uchida, S. L. Shang, B. C Zhou, M. Brützam, R. Uecker, Z. K. Liu, D. Jena, K. M. Shen, D. A. Muller, D. G. Schlom
    APL Materials 5 (2017) 116107 DOI: 10.1063/1.5001839
  9. “A thermodynamic approach to guide reactive element doping: Hf additions to NiCrAl”
    T. Gheno, B. C. Zhou, A. Ross, X. Liu, G. Lindwall, Z. K. Liu, and B. Gleeson
    Oxid. Met. 87 (2017) 297-310 DOI: 10.1007/s11085-016-9706-0
  10. “A first-principles study of diffusion coefficients of alloying elements in dilute α-Ti alloys"
    W. W. Xu, S. L. Shang, B. C. Zhou, Y. Wang, L. J. Chen, C. P. Wang, X. J. Liu, and Z. K. Liu
    Phys. Chem. Chem. Phys. 18 (2016) 16870-16881 DOI: 10.1039/C6CP01899H
  11. “A comprehensive first-principles study of pure elements: Vacancy formation and migration energies and self-diffusion coefficients”
    S. L. Shang, B. C. Zhou, W. Y. Wang, A. J. Ross, X. L. Liu, Y. J. Hu, H. Z. Fang, Y. Wang, and Z. K. Liu
    Acta Mater. 109 (2016) 128-141 DOI: 10.1016/j.actamat.2016.02.031
  12. “Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study”
    B. C. Zhou, S. L. Shang, Y. Wang, and Z. K. Liu
    Acta Mater. 103 (2016) 573-586 DOI: 10.1016/j.actamat.2015.10.010
    • The 2nd most downloaded article in Acta Materialia during 11/2015~02/2016
  13. “Data set for diffusion coefficients of alloying elements in dilute Mg alloys from first-principles”
    B. C. Zhou, S. L. Shang, Y. Wang, and Z. K. Liu
    Data in Brief 5 (2015) 900-912 DOI: 10.1016/j.dib.2015.10.024
  14. “Thermodynamic modeling of the Aluminum-Iron-Oxygen system”
    G. Lindwall, Xuan L. Liu, Austin Ross, Huazhi Fang, B. C. Zhou, and Z. K. Liu
    CALPHAD 51 (2015) 178-192 DOI: 10.1016/j.calphad.2015.09.004
  15. “Prediction of diffusion coefficients in liquids and solids”
    W. Y. Wang, B. C. Zhou, J. J. Han, H. Z. Fang, S. L. Shang, Y. Wang, X. Hui, and Z. K. Liu
    Defect and Diffusion Forum 364 (2015) 182-191 DOI: 10.4028/
  16. “First-principles calculations and thermodynamic modeling of Sn-Sr and Mg-Sn-Sr systems”
    B. C. Zhou, S. L. Shang, Y. Wang, and Z. K. Liu
    CALPHAD 46 (2014) 237-248 DOI: 10.1016/j.calphad.2014.04.003
  17. “Generalized stacking fault energy, ideal strength, and twinnability of dilute Mg-based alloys: A first-principles study of shear deformation”​
    S. L. Shang, W. Y. Wang, B. C. Zhou, Y. Wang, K. A. Darling, L. J. Kecskes, S. N. Mathaudhu, and Z. K. Liu
    Acta Mater. 67 (2014) 168-180 DOI: 10.1016/j.actamat.2013.12.019


Book Chapters

  1. “Chapter 8: Electrons to Phases of Magnesium”
    B. C. Zhou, W. Y. Wang, R. Arroyave, and Z. K. Liu
    In Mark F. Horstemeyer (Ed.), Integrated Computational Materials Engineering (ICME) for Metals: Concepts and Case Studies, (2018) 237-281. New Jersey: John Wiley & Sons. DOI: 10.1002/9781119018377
  2. “Modeling of Thermodynamic and Diffusion Properties in Ionic Materials”
    B. C. Zhou and Z. K. Liu
    In Helmut Mehrer (Ed.), Diffusion Foundations Vol.8 “Progress in Thermodynamics, Diffusion, Ion and Proton Transport of Ionic Compounds and Ion-Conducting Polymer Films” (2016) 1-30. Switzerland: Trans Tech Publications. DOI: 10.4028/


For the full publications list, see the PI's Google Scholar page.