2014
DOI: 10.1103/physreve.90.062106
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Anisotropic interfacial tension, contact angles, and line tensions: A graphics-processing-unit-based Monte Carlo study of the Ising model

Abstract: As a generic example for crystals where the crystal-fluid interface tension depends on the orientation of the interface relative to the crystal lattice axes, the nearest neighbor Ising model on the simple cubic lattice is studied over a wide temperature range, both above and below the roughening transition temperature. Using a thin film geometry Lx × Ly × Lz with periodic boundary conditions along the z-axis and two free Lx × Ly surfaces at which opposing surface fields ±H1 act, under conditions of partial wet… Show more

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Cited by 12 publications
(27 citation statements)
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“…The line tension has also been computed using Monte Carlo simulations [68,69], which can also provide a direct route to the free energy, and hence do not rely upon computations of the contact angle. This approach has been applied to the calculation of the line tension for models of ternary mixtures [68], as well as, for the Ising model [69]. For the ternary mixtures negative line tensions of ~− 0.1 were obtained.…”
Section: Theoretical and Computer Simulation Estimates For The Line Tmentioning
confidence: 99%
“…The line tension has also been computed using Monte Carlo simulations [68,69], which can also provide a direct route to the free energy, and hence do not rely upon computations of the contact angle. This approach has been applied to the calculation of the line tension for models of ternary mixtures [68], as well as, for the Ising model [69]. For the ternary mixtures negative line tensions of ~− 0.1 were obtained.…”
Section: Theoretical and Computer Simulation Estimates For The Line Tmentioning
confidence: 99%
“…A similar situation also arises in the lattice gas model [28], at temperatures well above the roughening temperature. Recent work [89] has studied the angular dependence of the interface tension in this model over a wide range of temperatures, showing that the dependence on interface tension on interface orientation amounts to a variation of typically a few % as well (this anisotropy vanishes at the critical point of this model). The corresponding enhancement of the nucleation barrier was found to be of the order of 10 % as well [28]; only at low temperatures, where facetted crystal shapes occur, large derivations from the spherical approximations were found [28].…”
Section: Discussionmentioning
confidence: 97%
“…Here γ ℓv is the tension related to a planar liquid-vapor interface, while γ wv (δµ) and γ wℓ (δµ) are the surface tensions of vapor and liquid against the wall [28].…”
Section: Theoretical Backgroundmentioning
confidence: 99%
“…Refs. [20][21][22][23][24][25][26][27][28]. Unlike our previous works [22][23][24][25], we pay attention to the fact that for nano-droplets, in heterogeneous context, the contact angle (Θ) may depend on the droplet radius, e.g.…”
Section: Introductionmentioning
confidence: 99%