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@ARTICLE{Wang:280109,
      author       = {Wang, Tao and Begau, Christoph and Sutmann, Godehard and
                      Hartmaier, Alexander},
      title        = {{L}arge scale {M}olecular {D}ynamics simulation of
                      microstructure formation during thermal spraying of pure
                      copper},
      journal      = {Surface and coatings technology},
      volume       = {280},
      issn         = {0257-8972},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2015-07855},
      pages        = {72 - 80},
      year         = {2015},
      abstract     = {Thermal spray processes are widely used for the manufacture
                      of advanced coating systems, e.g. metallic coatings for wear
                      and corrosion protection. The desired coating properties are
                      closely related to the microstructure, which is highly
                      influenced by the processing parameters, such as
                      temperature, size and velocity of the sprayed particles. In
                      this paper, large scale Molecular Dynamics simulations are
                      conducted to investigate the microstructure formation
                      mechanisms during the spraying process of hot nano-particles
                      onto a substrate at room temperature using pure copper as a
                      benchmark material representing for a wider class of
                      face-centered-cubic metals. To evaluate the influence of
                      processing parameters on the coating morphology, a number of
                      simulations are performed in which the initial temperature,
                      size and velocity of copper particles are systematically
                      varied in order to investigate the thermal and
                      microstructural evolution during impaction. Two distinct
                      types of microstructural formation mechanisms, resulting in
                      different coating morphologies, are observed in the present
                      investigation, which are either governed by plastic
                      deformation or by the process of melting and subsequent
                      solidification. Furthermore, a thermodynamically motivated
                      model as a function of the particle temperature and velocity
                      is developed, which predicts the microstructural mechanisms
                      observed in the simulations. The results provide an
                      elementary insight into the microstructure formation
                      mechanisms on an atomistic scale, which can serve as basic
                      input for continuum modeling of thermal spray process.},
      cin          = {JSC},
      ddc          = {620},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511)},
      pid          = {G:(DE-HGF)POF3-511},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000363825100009},
      doi          = {10.1016/j.surfcoat.2015.08.034},
      url          = {https://juser.fz-juelich.de/record/280109},
}