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@ARTICLE{Chandran:1021016,
      author       = {Chandran, Anju and Ganesan, Hariprasath and Cyron,
                      Christian J.},
      title        = {{S}tudying the effects of {N}b on high-temperature
                      deformation in {T}i{A}l alloys using atomistic simulations},
      journal      = {Materials and design},
      volume       = {237},
      issn         = {0264-1275},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2024-00476},
      pages        = {112596 -},
      year         = {2024},
      abstract     = {Intermetallic γ(TiAl)-based alloys find their application
                      as high-temperature materials for aero engine and automotive
                      components. Microstructure optimization and microalloying
                      play key roles in optimizing these alloys. Several
                      pioneering experimental works showed improved mechanical
                      properties of γ(TiAl)-based alloys containing Niobium (Nb).
                      Despite Nb being a key alloying element, its contribution
                      remains debated, if not least understood, due to the TiAl
                      microstructure's complexity with hierarchical interfaces.
                      This work examines the effects of Nb on the high-temperature
                      deformation behavior of TiAl alloys using atomistic
                      simulations. These revealed that Nb alloying retarded the
                      stress-induced phase transformation of γ → , favoring a
                      refined microstructure with the dislocation sources from
                      microstructure boundaries and interfaces at high temperature
                      and improving thus the ductility. Our
                      microstructure-informed atomistic models reveal a
                      comprehensive picture of the underlying nanomechanical
                      events.},
      cin          = {IAS-9},
      ddc          = {690},
      cid          = {I:(DE-Juel1)IAS-9-20201008},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511)},
      pid          = {G:(DE-HGF)POF4-5111},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001165848000001},
      doi          = {10.1016/j.matdes.2023.112596},
      url          = {https://juser.fz-juelich.de/record/1021016},
}