Molecular Dynamics Study of Structural Transitions and Melting in Two Dimensions
نویسنده
چکیده
Simple pair potentials are constructed which give hexagonal-or square-lattice ground states in two dimensions, depending on the value of a single parameter controlling the width of the potential well. Molecular dynamics calculations for free clusters of a few hundred particles are used to examine a structural transition from the square lattice, at low temperatures, to the hexagonal lattice at high temperatures. Another structural transition (melting) is identiied by the onset of diiusion. The melting temperature is found to be a minimum near the point where the barrier between the two structures, as a function of lattice strain, is also a minimum.
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