Thermodynamic properties of rod-like chains: entropic sampling simulations
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2016
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In this work, we apply entropic sampling simulations to a three-state model which has exact solutions in the microcanonical and grand-canonical ensembles. We consider N chains placed on an unidimensional lattice, such that each site may assume one of the three states: empty (state 1), with a single molecule energetically null (state 2), and with a single molecule with energy ε
(state 3). Each molecule, which we will treat here as dimers, consists of two monomers connected one to each other by a rod. The thermodynamic properties such as internal energy, densities of dimers and specific heat were obtained as functions of temperature, where the analytic results in the microcanonical and grand-canonical ensembles were successfully confirmed by the entropic sampling simulations.
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Rod-like chains, Entropic sampling simulations, Wang–Landau algorithm
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FERREIRA, Lucas S. et al. Thermodynamic properties of rod-like chains: entropic sampling simulations. Modern Physics Letters B, Hackensack, v. 30, n. 31, e1650378, 2016. DOI: 10.1142/S0217984916503784. Disponível em: https://www.worldscientific.com/doi/10.1142/S0217984916503784. Acesso em: 11 set. 2023.