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@ARTICLE{Olczak:644958,
      author       = {Olczak, Adam and Sobierajski, Ryszard and Dzięgielewski,
                      Przemysław and Khan, Salman A. and Kostera, Zuzanna and
                      Migdal, Kirill P. and Milov, Igor and Sokolowski-Tinten,
                      Klaus and Zalden, Peter and Zhakhovsky, Vasily V. and
                      Antonowicz, Jerzy},
      title        = {{A}tomic dynamics and local structural disorder during
                      ultrafast melting of polycrystalline {P}d},
      journal      = {Scripta materialia},
      volume       = {267},
      issn         = {1359-6462},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {PUBDB-2026-00501},
      pages        = {116826},
      year         = {2025},
      abstract     = {The primary distinction between solid and liquid phases is
                      mechanical rigidity, with liquids having a disordered atomic
                      structure that allows flow. While melting is a common phase
                      transition, its microscopic mechanisms still remain unclear.
                      This study uses molecular dynamics simulations to
                      investigate ultrafast melting in polycrystalline palladium,
                      focusing on the relationship between atomic dynamics
                      quantified by the root-mean-squared displacement (RMSD) and
                      local structural disorder characterized by the deviation
                      from centrosymmetry. In the crystal bulk, melting is
                      preceded by a gradual rise in the RMSD and local disorder.
                      As the Lindemann limit for the RMSD is approached, the
                      increasing concentration of lattice defects is manifested by
                      a discontinuous rise in disorder. On melting, the rise is
                      followed by a rapid increase in displacement, indicative of
                      atomic flow. In contrast, the grain boundaries undergo
                      melting through a continuous increase of both the
                      displacement and the disorder, resembling a glass transition
                      on heating.},
      cin          = {FS-PS},
      ddc          = {670},
      cid          = {I:(DE-H253)FS-PS-20131107},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / SFB 1242 C01 - Strukturelle Dynamik in impulsiv
                      angeregten Nanostrukturen (C01) (317682047)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)317682047},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1016/j.scriptamat.2025.116826},
      url          = {https://bib-pubdb1.desy.de/record/644958},
}