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Simulations of Melting in an HCP Lattice Joan Adler, Pavel Bavli and Emil Polturak -Physics Department, Technion

Summary: Simulations of Melting in an HCP Lattice
Joan Adler, Pavel Bavli and Emil Polturak - Physics Department, Technion
Melting is an everyday phenomenon whose explanation on an atomic scale has
been in need of clarification. Adler, Polturak, Kanigel and Sorkin carried out studies
of bulk and surface melting on several cubic lattices. From studies of vanadium,
Sorkin et al. suggested that the Born criterion (melting is caused by a mechanical
instability due to softening of the shear moduli) can be extended to surface melting.
We wrote a new Molecular Dynamics (MD) code for simulations of
our model for magnesium both in the bulk and with surfaces in the
three main HCP facet directions, a, c and s. These are discussed at
near right and drawn (after Hashibon et al.) at upper far right. The
text on the right , and FIGURES 3, 4 and 5 describes the technical
aspects of our simulations and their parallelization and the text
below explains physical and thermodynamic aspects of our models.
Magnesium is a metal with a nearly ideal Hexagonal Close Packed
(HCP) structure, that has a lattice spacing of a = 3.25Angstrom in
the xy plane and c =5.21Angstrom in the z direction. It is not


Source: Adler, Joan - Physics Department, Technion, Israel Institute of Technology


Collections: Physics