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@ARTICLE{RahimiChegeni:639379,
      author       = {Rahimi Chegeni, Maryam and Ma, Wenhao and Riegler, Sascha
                      Sebastian and Ghavimi, Amirhossein and Rohde, Magnus and
                      Yang, Fan and Seifert, Hans Jürgen and Gallino, Isabella
                      and Busch, Ralf},
      title        = {{T}hermodynamic analysis and modeling of {P}d-{N}i-{S} bulk
                      metallic glass-forming system},
      journal      = {Acta materialia},
      volume       = {294},
      issn         = {1359-6454},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {PUBDB-2025-04473},
      pages        = {121074},
      year         = {2025},
      note         = {This research was funded by the Deutsche
                      Forschungsgemeinschaft (DFG).},
      abstract     = {This study explores both experimental and computational
                      aspects of the thermophysical properties of the novel
                      ternary BMG-forming Pd-Ni-S system. Unlike more complex
                      quinary BMG-formers, this ternary system's simplicity allows
                      for applying the CALPHAD approach to model the underlying
                      thermodynamics governing glass formation.Experimental
                      investigations include quantifying specific heat capacity
                      and studying crystallization across various compositions
                      critical for generating essential input data. Using a
                      two-state approach, initial modeling of the undercooled
                      liquid and glass is conducted for individual elements and
                      extended to the ternary system. Model predictions are
                      validated against experimental findings and iteratively
                      optimized. Using the parallel tangent method, the Gibbs free
                      energy of crystalline and liquid phases at different
                      compositions are calculated, providing a more accurate
                      estimation of the nucleation driving force of the first
                      forming phase compared to the conventional thermodynamic
                      approach. These calculated driving forces are then used to
                      model the isothermal Time-Temperature-Transformation (TTT)
                      diagrams, and finally for the estimation of the interfacial
                      energy between liquid and crystal during primary
                      crystallization, which plays an important role in the
                      glass-forming ability of this system. The experimental and
                      calculated results are found to be compatible for
                      near-eutectic compositions.},
      cin          = {DOOR ; HAS-User},
      ddc          = {670},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3)},
      pid          = {G:(DE-HGF)POF4-6G3},
      experiment   = {EXP:(DE-H253)P-P21.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1016/j.actamat.2025.121074},
      url          = {https://bib-pubdb1.desy.de/record/639379},
}