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Home » Institute » Departments & Research Groups » Scale-Bridging Simulation of Functional Composites » SFC Publications

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  • A. Grünebohm, S. Teng, M. Marathe. Influence of domain walls and defects on the electrocaloric effect. Journal of Physics: Energy, 5, 034010, (2023)
  • N. Ölcer. Ab initio simulation of solid solutions of BaTiO3: the role of Ti substitution. Master Thesis, Ruhr-Universität Bochum, (2023)
  • 2022

  • A. Klomp, R. Khachaturyan, T. Wallis et al. Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling. Physical Review Materials, 6, 104411, (2022)
  • A. Dimou, P. Hirel, A. Grünebohm. Pinning of domain walls by strontium layer in BaTiO3 perovskite: an atomic-scale study. Physical Review B, 106, 094104, (2022)
  • R. Khachaturyan, A. Dimou, A. Grünebohm. Domain wall acceleration by ultrafast field application: an ab initio‐based molecular dynamics study. Physica status solidi (RRL) – Rapid Research Letters, 16, 2200038, (2022)
  • C. Anabaraonye. Ferroelectric composites: The impact of morphology on phase stability. Master Thesis, Ruhr-Universität, (2022)
  • A. Grünebohm, M. Marathe, R. Khachaturyan et al. Interplay of domain structure and phase transitions: theory, experiment and functionality. Journal of Physics: Condensed Matter, 34, 073002, (2022)
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