Abstract
The formation of excess free volume in triple junctions of <111> and <100> tilt boundaries in Ni at crystallization was studied by the method of molecular dynamics. It is shown that the triple junctions, containing excess free volume, mainly forms during crystallization process in the result of “locking” of the liquid phase density at a meeting of the three crystallization fronts and, as a consequence, of the concentration of excess free volume in the triple junction after solidification. The calculation of excess free volume formed in the triple junctions during crystallization was carried out. The peculiarities of formation of the free volume in the triple junctions of low and large-angle <111> and <100> tilt boundaries were studied using molecular dynamics simulations. It is shown that the main part of the free volume is accumulated during crystallization in the area of the grain boundaries and the triple junctions.
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