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Register a new userA numerical method for determining the interface free energy
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We propose a general method (based on the Wang-Landau algorithm) to compute numerically free energies that are obtained from the logarithm of the ratio of suitable partition functions. As an application, we determine with high accuracy the order-order interface tension of the four-state Potts model in three dimensions on cubic lattices of linear extension up to L=56. The infinite volume interface tension is then extracted at each beta from a fit of the finite volume interface tension to a known universal behavior. A comparison of the order-order and order-disorder interface tension at the critical value of beta provides a clear numerical evidence of perfect wetting.
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Interface free energy is the contribution to the free energy of a system due to the presence of an interface separating two coexisting phases at equilibrium. It is also called surface tension. The content of the paper is 1) the definition of the interface free energy from first principles of statistical mechanics; 2) a detailed exposition of its basic properties. We consider lattice models with short range interactions, like the Ising model. A nice feature of lattice models is that the interface free energy is anisotropic so that some results are pertinent to the case of a crystal in equilibrium with its vapor. The results of section 2 hold in full generality.
We present a method for determining the free energy dependence on a selected number of collective variables using an adaptive bias. The formalism provides a unified description which has metadynamics and canonical sampling as limiting cases. Convergence and errors can be rigorously and easily controlled. The parameters of the simulation can be tuned so as to focus the computational effort only on the physically relevant regions of the order parameter space. The algorithm is tested on the reconstruction of alanine dipeptide free energy landscape.
We consider the three-dimensional Ising model slightly below its critical temperature, with boundary conditions leading to the presence of an interface. We show how the interfacial properties can be deduced starting from the particle modes of the underlying field theory. The product of the surface tension and the correlation length yields the particle density along the string whose propagation spans the interface. We also determine the order parameter and energy density profiles across the interface, and show that they are in complete agreement with Monte Carlo simulations that we perform.
We implement parall
We investigate by means of Monte Carlo simulation and Finite-Size Scaling analysis the critical properties of the three dimensional O(5) non linear sigma model and of the antiferromagnetic RP2 model, both of them regularized on a lattice. High accuracy estimates are obtained for the critical exponents, universal dimensionless quantities and critical couplings. It is concluded that both models belong to the same Universality Class, provide that rather non standard identifications are made for the momentum-space propagator of the RP2 model. We have also investigated the phase diagram of the RP2 model extended by a second-neighbor interaction. A rich phase diagram is found, where most phase transitions are first order.
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