Publications by authors named "Benjamin J Block"
Anisotropic interfacial tension, contact angles, and line tensions: a graphics-processing-unit-based Monte Carlo study of the Ising model.
Phys Rev E Stat Nonlin Soft Matter Phys
December 2014
Article Synopsis
- The study explores crystals with fluid interfaces where tension varies based on the interface’s orientation to the crystal lattice using the nearest-neighbor Ising model on a simple cubic lattice across different temperatures, focusing on a roughening transition.
- It employs a thin-film geometry with periodic boundaries and free surfaces under partial wetting conditions to stabilize a planar interface at a specific contact angle, allowing for the analysis of angle-dependent properties like interface tension and line tension.
- Large lattice sizes (around 46 million sites) were essential to minimize errors, and the use of efficient graphics processing units was vital for conducting this computationally intensive research.
We study the excess free energy due to phase coexistence of fluids by Monte Carlo simulations using successive umbrella sampling in finite L×L×L boxes with periodic boundary conditions. Both the vapor-liquid phase coexistence of a simple Lennard-Jones fluid and the coexistence between A-rich and B-rich phases of a symmetric binary (AB) Lennard-Jones mixture are studied, varying the density ρ in the simple fluid or the relative concentration x(A) of A in the binary mixture, respectively. The character of phase coexistence changes from a spherical droplet (or bubble) of the minority phase (near the coexistence curve) to a cylindrical droplet (or bubble) and finally (in the center of the miscibility gap) to a slablike configuration of two parallel flat interfaces.
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