Yong-Jie Hu

Assistant Professor
Materials Science and Engineering


Dr. Yong-Jie Hu is an assistant professor of Materials Science and Engineering who joined the department in January 2021. He received his BE degree from Tsinghua University and MS degree from Tohoku University. In 2016, he obtained his PhD degree in Materials Science and Engineering from the Pennsylvania State University. Before joining Drexel, he was a postdoctoral research fellow at the Pennsylvania State University and subsequently at the University of Michigan. The research of Hu’s group (Materials Computation and Informatics Group) focuses on investigations of mechanical, thermodynamic, and electronic properties of materials by applying and integrating a variety of cutting-edge computational techniques, including first-principles calculations, molecular dynamic simulations, the CALPHAD approach, multiscale modeling, and machine learning approaches. By closely collaborating with experimentalists, his group aims to develop quantitative mechanisms, models, and databases to guide and accelerate the design and manufacture of advanced materials.

Degrees / Education

  • PhD, Materials Science and Engineering, the Pennsylvania State University, 2016
  • ME, Materials Science, Tohoku University, 2012
  • BE, Materials Science and Engineering, Tsinghua University, 2010

Research Areas

Research Interests

Deformation and failure mechanisms of structural alloys/materials, formation and evolution of crystalline defects (solute-clusters, dislocations, grain boundaries, etc.) and their interactions, phase stability and transformation in complex multicomponent systems, and synthesis, processing and property optimization of structural and functional inorganic materials.

Areas of Study

Select Publications

  • Y.C. Lai, Y. Ying, D. Yadav, J. Guerrero, Y.J. Hu*, K.Y. Xie*, In situ TEM observations and molecular dynamics simulations of deformation defect activities in Mg via nanoindentation, Journal of Magnesium and Alloys, Impress. 
  • E. Rems, M. Anayee, E. Fajardo, R.L. Lord, D. Bugallo*, Y. Gogotsi*, Y.J. Hu*, Computationally Guided Synthesis of MXenes by Dry Selective Extraction, Advanced Materials, (2023) 2305200. 
  • C. Tandoc, Y.J. Hu*, L. Qi, and P.K. Liaw, Mining lattice distortion, strength, and intrinsic ductility of refractory high-entropy alloys using physics-informed statistical learning, npj Computational Materials, 9 (2023) 53. 
  • H.O. Badr, F. Lagunas, D.E. Autrey, J. Cope, T. Kono, T. Torita, R.F. Klie, Y.-J. Hu*, M.W. Barsoum*, On the structure of one-dimensional TiO2 lepidocrocite, Matter, 6 (2023) 128-141.
  • Y.J. Hu*, First-principles approaches and models for crystal defect energetics in metallic alloys, Computational Materials Science, 216 (2023) 111831.
    [6] H.O. Badr, et al., Y.J. Hu*, and M.W. Barsoum*, Bottom-up, scalable synthesis of anatase nanofilament-based two-dimensional titanium carbo-oxide flakes, Materials Today, 54 (2022) 8-17.
  • Y.J. Hu, A. Sundar, S. Ogata, and L. Qi, Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys, Acta Materialia, 210 (2021) 116800. 
  • Y.J. Hu, G. Zhao, M. Zhang, B. Bin, T. Del Rose, Q. Zhao, Q. Zu, Y. Chen, X. Sun, M. de Jong and L. Qi, “Predicting densities and elastic moduli of SiO2-based glasses by machine learning”, npj Computational Materials, 6 (2020) 25. 
  • Y.J. Hu, G. Zhao, B. Zhang, C. Yang, M. Zhang, Z.K. Liu, X. Qian and L. Qi, “Local electronic descriptors for solute-defect interactions in bcc refractory metals”, Nature Communications, 10 (2019) 4484. 
  • Y.J. Hu*, M.R. Fellinger, B.G. Butler, Y. Wang, K.A. Darling, L.J. Kecskes, D.R. Trinkle and Z.K. Liu, “Solute-induced solid-solution softening and hardening in bcc tungsten”, Acta Materialia, 141 (2017) 304-316.