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About Haixuan
Haixuan Xu is a Professor in the Department of Materials Science and Engineering at the University of Tennessee, Knoxville. He holds a Ph.D. in Materials Science and Engineering from the University of Florida, with a dissertation titled 'From Electronic Structure of Point Defects to Physical Properties of Complex Materials using Atomic-Level Simulations.' Xu's research specializes in computational materials science, utilizing density functional theory and atomistic simulations. His primary interests encompass defect interactions and radiation effects, deformation mechanisms and electronic/magnetic influences on mechanical properties of structural alloys, electromagnetic coupling and flexoelectric effects, materials for neuromorphic computing, and mesoscale computational methods. His work addresses how defects and microstructural processes control material performance across multiple length and time scales, integrating theory, simulation, and data-driven methods to confront challenges in structural alloys for extreme environments, electronic and magnetic systems, and emerging computing materials. Xu's group pioneered the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method to connect atomistic processes with long-term material behavior. He also investigates AI-driven materials discovery and materials for neuromorphic and unconventional computing.
At the University of Tennessee, Knoxville, Xu has earned prestigious recognitions, including the Chancellor’s Award of Professional Promise in Research and Creative Achievement in 2020, Emerging Investigator from the Journal of Materials Chemistry C in 2019, Department of Energy Early Career Award in 2018, Tickle College of Engineering Professional Promise in Research Award in 2018, National Science Foundation Early Career Award in 2017, and multiple Faculty of Excellence awards in research and teaching from the Department of Materials Science and Engineering between 2016 and 2019. Notable publications include 'Atomistic modeling of meso-timescale processes with SEAKMC: A perspective and recent developments' (Computational Materials Science, 2021), 'Temperature-dependent mechanisms of dislocation–twin boundary interactions in Ni-based equiatomic alloys' (Acta Materialia, 2021), 'Strain-Modulated Slater-Mott Crossover of Pseudospin-Half Square-Lattice in (SrIrO3)1/(SrTiO3)1 Superlattices' (Physical Review Letters, 2020), 'Emergent electric field control of phase transformation in oxide superlattices' (Nature Communications, 2020), 'Revealing Large Magnetoelectric Coupling in Iridate-Oxide based Superlattices' (Journal of Materials Chemistry C, 2019), and 'Dynamics of Interaction between Dislocations and Point Defects in bcc Iron' (Physical Review Materials, 2018). Xu's contributions have significantly advanced insights into defect evolution, radiation damage, and innovative material functionalities for advanced applications.
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