6533b7d4fe1ef96bd12630b9

RESEARCH PRODUCT

Investigation of Finite-Size Effects in the Determination of Interfacial Tensions

Peter VirnauFabian SchmitzAntonia StattKurt Binder

subject

Computer scienceMonte Carlo methodNucleationHard spheresMechanicsColloidal crystallaw.inventionCondensed Matter::Soft Condensed MatterSurface tensionlawIsing modelLaplace pressureBoundary value problemClassical nucleation theoryCrystallization

description

The interfacial tension between coexisting phases of a material is an important parameter in the description of many phenomena such as crystallization, and even today its accurate measurement remains difficult. We have studied logarithmic finite-size corrections in the determination of the interfacial tension with large scale Monte Carlo simulations, and have identified several novel contributions which not only depend on the ensemble, but also on the type of the applied boundary conditions. We present results for the Lennard-Jones system and the Ising model, as well as for hard spheres, which are particularly challenging. In the future, these findings will contribute to the understanding and determination of highly accurate interfacial properties with computer simulations, and will be used in the study of nucleation of colloidal crystals. As a first application, we compare the Laplace pressure of a crystalline nucleus surrounded by liquid as obtained from simulations with classical nucleation theory.

yearjournalcountryeditionlanguage
2014-12-16
https://doi.org/10.1007/978-3-319-10810-0_1