Biography

Professor Xu’s research focuses on how defects, kinetics, and microstructural evolution govern materials behavior across multiple length and time scales under extreme conditions. His group combines theory, multiscale simulations, and data-driven methods to address fundamental challenges in structural alloys, functional oxides, and emerging quantum materials. Major research areas include radiation-induced defect evolution, helium and hydrogen behavior, deformation and phase stability, and defect-controlled mechanical, thermal, electronic, and magnetic properties. To connect atomistic mechanisms with long-timescale microstructural evolution, his group develops advanced kinetic and mesoscale simulation methods, including the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method. Emerging directions integrate artificial intelligence with physics-based modeling to accelerate rare-event simulations, uncover materials kinetics, and guide materials design and synthesis pathways.

Education

• PhD, Florida
  From Electronic Structure of Point Defects to Physical Properties of Complex Materials using Atomic-Level Simulations

Professional Service

• MRS Member
• TMS Member
• APS Member
• ACerS Member

Awards & Recognitions

• Chancellor’s Award of Professional Promise in Research and Creative Achievement, UT,  2020 
• Emerging Investigator, Journal of Materials Chemistry C, 2019 
• Faculty of Excellence in Research, Department of Materials Science and
• Engineering, UT, 2019 
• Department of Energy (DOE) Early Career Award, 2018 
• TCE Professional Promise in Research Award, Tickle College of Engineering, UT, 2018 
• National Science Foundation (NSF) Early Career Award, 2017 
• Faculty of Excellence in Research, Department of Materials Science and Engineering, UT, 2017 
• Faculty of Excellence in Teaching, Department of Materials Science and Engineering, UT, 2016 

Research Publications

Select research publications are found below. A full list of publications is available on Google Scholar.

1. S. Hayakawa, J. Isaacs, H.R. Medal, H. Xu”Atomistic modeling of meso-timescale processes with SEAKMC: A perspective and recent developments”, Computational Materials Science 194, 110390, DOI:10.1016/j.commatsci.2021.110390
2. S. Hayakawa, H. Xu”Temperature-dependent mechanisms of dislocation–twin boundary interactions in Ni-based equiatomic alloys”, Acta Materialia 211, 116886, DOI: 10.1016/j.actamat.2021.116886
3. J. Yang, L. Hao, D. Meyers, T. Dasa, L. Xu, L. Horak, P. Shafer, E. Arenholz, G. Fabbris, Y. Choi, D. Haskel, J. Karapetrova, J. Kim, P. J Ryan, H.X Xu, C. D. Batista, M. PM Dean, J. Liu “Strain-Modulated Slater-Mott Crossover of Pseudospin-Half Square-Lattice in (SrIrO3)1/(SrTiO3)1 Superlattices”, Physical Review Letters, 124, 177601, DOI: 10.1103/PhysRevLett.124.177601
4. D. Yi, Y. Wang, O. MJ van ʼt Erve, L. Xu, H. Yuan, M. J Veit, P. P Balakrishnan, Y. Choi, A. T N’Diaye, P. Shafer, E. Arenholz, A. Grutter, H.X. Xu, P. Yu, B. T Jonker, Y. Suzuki, “Emergent electric field control of phase transformation in oxide superlattices”, Nature communications, 11, 1, DOI: 10.1038/s41467-020-14631-3
5. T. Dasa, L. Hao, J. Liu, and H.X.Xu*, “Revealing Large Magnetoelectric Coupling in Iridate-Oxide based Superlattices”, Journal of Materials Chemistry C, 7, 13294 (2019), DOI: 10.1039/C9TC04466C
6. L. Casillas-Trujillo, A.S. Ervin, L. Xu, A. Barashev, H. Xu*, “Dynamics of Interaction between Dislocations and Point Defects in bcc Iron”, Physical Review Materials, 2, 103604, (2018) DOI: 10.1103/PhysRevMaterials.2.103604
7. T.R. Dasa, L. Hao, J. Yang, J. Liu, H. Xu*, “Strain Effect on Structural and Magnetic Properties of SrIrO3/SrTiO3 Superlattice”, Materials Today Physics, 4, 43-49 (2018) DOI: 10.1016/j.mtphys.2018.02.003
8. L. Hao, D. Meyers, H. Suwa, J. Yang, C. Frederick, T.R. Dasa, G. Fabbris, L. Horak, D. Kriegner, Y. Choi, J.W. Kim, D. Haskel, P. Ryan, H. Xu*, C.D. Batista, M.P.M. Dean, J. Liu, “Giant Magnetic Response of A Two-Dimensional Antiferromagnet”, Nature Physics, (2018) DOI: 10.1038/s41567-018-0152-6
9. A. Ervin, H. Xu*, “Mesoscale Simulations of Radiation Damage Effects in Materials: a SEAKMC Perspective”, Computational Materials Science, 150, 180-189 (2018) DOI: 10.1016/j.commatsci.2018.03.054
10. I. Bredeson, L. Zhang, P.R.C. Kent, V.R. Cooper, H. Xu*, “Dimensional Control of Defect Dynamics in Perovskite Oxide Superlattices”, Physical Review Materials, 2, 035401 (2018) DOI: 10.1103/PhysRevMaterials.2.035401