Zhuocheng Xie, Dr.-Ing.


Fon:+49 (0) 241 80 26 866
Fax: +49 (0) 241 80 22 301
E-Mail: Xie{at}imm.rwth-aachen.de
Room: 202


  • Since 2022: Research group leader for Atomistic Simulation Group at the Institute for Physical Metallurgy and Materials Physics, RWTH Aachen
  • 2020-2022: Postdoc at the Institute for Physical Metallurgy and Materials Physics, RWTH Aachen

Academic career

  • 2015-2020: Doctoral Research Assistant, Institute I: General Materials Properties, Friedrich-Alexander-Universität Erlangen-Nürnberg
  • 2015: M.Sc., College of Materials and Metallurgy, College of Big Data and Information Engineering, Guizhou University

Research focus

  • Atomic-scale modelling
  • Small-scale plasticity

Principal investigator

  • Since 2023: “Segregation at Interfaces in Lightweight Alloys towards Tailored Mechanical Properties” funded by DFG-ANR
  • Since 2024: SFB1394 “Structural and Chemical Atomic Complexity: From Defect Phase Diagrams to Material Properties” funded by DFG


  1. F. Mouhib, Z. Xie*, et al., Exploring Solute Behavior and Texture Selection in Magnesium Alloys at the Atomistic Level, Acta Materialia, 266 (2024) 119677.
  2. T. Stollenwerk, N. Ulumuddin, P.L. Sun, S.H. Lee, M. Seehaus, K. Skokov, O. Gutfleisch, Z. Xie*, S. Korte-Kerzel, Dislocation-Mediated Plasticity in the Intermetallic SmCo5 Phase, Acta Materialia, 266 (2024) 119669.
  3. Z. Xie*, et al., Thermally activated nature of synchro-Shockley dislocations in Laves phases, Scripta Materialia, 235 (2023) 115588.
  4. Z. Xie, et al., Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases, Physical Review Materials, 7 (2023) 053605.
  5. W. Luo, Z. Xie*, et al., Tailoring the Plasticity of Topologically Close-Packed Phases via the Crystals’ Fundamental Building Blocks, Advanced Materials, (2023) 2300586.
  6. W. Luo, Z. Xie, et al., Plasticity of the Nb-rich μ-Co7Nb6 phase at room temperature and 600 °C, Acta Materialia, 246 (2023) 118720.
  7. R. Pei, Z. Xie*, et al., Atomistic insights into the inhomogeneous nature of solute segregation to grain boundaries in magnesium, Scripta Materialia, 230 (2023) 115432.
  8. S. Zhang, Z. Xie, et al., Atomistic structures of <0001> tilt grain boundaries in a textured Mg thin film, Nanoscale, 14 (2022) 18192-18199.
  9. Z. Xie, et al., Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases, Journal of Materials Research, 36 (2021) 2010–2024.
  10. D. Andre, Z. Xie, et al., Dislocation-mediated plasticity in the Al2Cu θ-phase, Acta Materialia, 209 (2021) 116748.
  11. J. Guénolé, M. Zubair, S. Roy, Z. Xie, et al., Exploring the transfer of plasticity across Laves phase interfaces in a dual phase magnesium alloy, Materials & Design, 202 (2021) 109572
  12. N.J. Schrenker, Z. Xie, et al., Microscopic deformation modes and impact of network anisotropy on the mechanical and electrical performance of five-fold twinned silver nanowire electrodes, ACS nano, 15 (2020) 362-376.
  13. Z. Xie, et al., Origins of strengthening and failure in twinned Au nanowires: Insights from in-situ experiments and atomistic simulations, Acta Materialia, 187 (2020) 166-175.
  14. J. Guénolé, W.G. Nöhring, A. Vaid, F. Houllé, Z. Xie, et al., Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps, Computational Materials Science, 175 (2020) 109584.
  15. Z. Xie, et al., Experimentally-Informed Large-Scale Atomistic Simulations of Nanoporous Gold, High Performance Computing, ISBN 978-3-9816675-2-3 (2018).
  16. W.G. Nöhring, J.J. Möller, Z. Xie, E. Bitzek, Wedge-shaped twins and pseudoelasticity in fcc metallic nanowires under bending, Extreme Mechanics Letters, 8 (2016) 140-150.