A Molecular Dynamics Study of Grain Boundary Phase Equilibria: the Case of the I: E+ 13 Boundary
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چکیده
Computer molecular dynamics simulations of a two-dimensional B = 13 bicrystai, interact@ through a Cennard-Janes potential, have been performed. Grain boundary phase equilibria were studied through the temperature dependence of the bicrystal enthalpy. Two phenomena were studied: a transition to a liquid-like layer at approximately 80% of the bulk melting point, and a reorientation of the grain boundary from the X = 13 misorientation of 27.80 o to a misorientation of approximately 44 p.
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