Equation of State from Potts-Percolation Model of a Solid

Miron Kaufman (1) , Hung The Diep (2)

1 Department of Physics [Cleveland)
2 LPTM - UMR 8089 - Laboratoire de Physique Théorique et Modélisation

We expand the Potts-percolation model of a solid to include stress and strain. Neighboring atoms are connected by bonds. We set the energy of a bond to be given by the Lennard-Jones potential. If the energy is larger than a threshold the bond is more likely to fail, while if the energy is lower than the threshold the bond is more likely to be alive. In two dimensions we compute the equation of state: stress as function of inter-atomic distance and temperature by using renormalization group and Monte Carlo simulations. The phase diagram, the equation of state, the isothermal modulus and the thermal expansion are determined. When the Potts heat capacity is divergent the continuous transition is replaced by a weak first-order transition through the van der Waals loop mechanism. When the Potts transition is first order the stress exhibits a large discontinuity as function of the inter-atomic distance.

Mots clés: Model of Solid; Renormalization Group; Monte Carlo Simulation; Potts model

Domaines: Mécanique statistique [cond-mat.stat-mech]

Miron Kaufman, Hung The Diep. Equation of State from Potts-Percolation Model of a Solid. 2011. ⟨hal-00606448v2⟩