Mesoscopic nonequilibrium thermodynamics treatment of the grain boundary thermal grooving induced by the anisotropic surface drift diffusion |
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Authors: | Oncu Akyildiz Ersin Emre Oren Tarik Omer Ogurtani |
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Affiliation: | (1) Department of Metallurgical and Materials Engineering, Middle East Technical University, 06531 Ankara, Turkey;(2) Department of Biomedical Engineering, TOBB University of Economics and Technology, 06560 Ankara, Turkey; |
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Abstract: | A systematic study based on the self-consistent dynamical simulations is presented for the grain boundary thermal grooving
problem by strictly following the irreversible thermodynamic theory of surfaces and interfaces with singularities T. O. Ogurtani,
J. Chem. Phys. 124, 144706 (2006)]. This approach furnishes us to have auto-control on the otherwise free-motion of the grain
boundary triple junction without presuming any equilibrium dihedral (wetting) angles at the edges. The effects of physicochemical
properties and the anisotropic surface diffusivity on the transient grooving behavior, which takes place at the early stage
of the scenario, were considered. We analyzed the experimental thermal grooving data reported for tungsten in the literature,
and compared them with the carried simulation results. This investigation showed that the observed changes in the dihedral
angles are strictly connected to the transient behavior of the simulated global system, and manifest themselves at the early
stage of the thermal grooving phenomenon. |
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