Biography

Haixuan Xu’s research centers on understanding how defects and microstructural processes govern the performance of materials across multiple length and time scales. His work combines theory, simulation, and data-driven approaches to address fundamental challenges in structural alloys, electronic and magnetic systems, and emerging computing materials. A core theme of his research is the study of defect evolution, radiation effects, deformation mechanisms, and their role in determining the mechanical properties of advanced alloys for extreme environments. To bridge the gap between atomistic processes and long-term material behavior, his group develops innovative mesoscale simulation techniques, including the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method. Beyond structural materials, Xu explores new directions at the intersection of materials science and artificial intelligence, leveraging AI for accelerated materials discovery and investigating materials for neuromorphic and unconventional computing.

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

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