Elastic moduli, dislocation core energy and melting of hard disks in two dimensions

Details Elastic moduli, dislocation core energy and melting of hard disks in two dimensions Elastic moduli, dislocation core energy and melting of hard disks in two dimensions

2000-01-28

arxiv.org/abs/cond-mat/0001417v1

Physics

Condensed Matter

Statistical Mechanics

17 pages, 8 figures

Scientific paper

10.1103/PhysRevE.61.6294

Elastic moduli and dislocation core energy of the triangular solid of hard disks of diameter $\sigma$ are obtained in the limit of vanishing dislocation- antidislocation pair density, from Monte Carlo simulations which incorporates a constraint, namely that all moves altering the local connectivity away from that of the ideal triangular lattice are rejected. In this limit, we show that the solid is stable against all other fluctuations at least upto densities as low as $\rho \sigma^2 = 0.88$. Our system does not show any phase transition so diverging correlation lengths leading to finite size effects and slow relaxations do not exist. The dislocation pair formation probability is estimated from the fraction of moves rejected due to the constraint which yields, in turn, the core energy E_c and the (bare) dislocation fugacity y. Using these quantities, we check the relative validity of first order and Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) melting scenarios and obtain numerical estimates of the typical expected transition densities and pressures. We conclude that a KTHNY transition from the solid to a hexatic phase preempts the solid to liquid first order transition in this system albeit by a very small margin, easily masked by crossover effects in unconstrained ``brute-force'' simulations with small number of particles.

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