6533b7d5fe1ef96bd12650f3
RESEARCH PRODUCT
Finite-size effects on liquid-solid phase coexistence and the estimation of crystal nucleation barriers.
Antonia StattPeter VirnauKurt Bindersubject
Materials scienceFinite volume methodCondensed matter physicsStatistical Mechanics (cond-mat.stat-mech)NucleationGeneral Physics and AstronomyFOS: Physical sciencesCrystalSurface tensionCondensed Matter::Soft Condensed MatterClassical mechanicsPhase (matter)Classical nucleation theoryAnisotropyEnergy (signal processing)Condensed Matter - Statistical Mechanicsdescription
A fluid in equilibrium in a finite volume $V$ with particle number $N$ at a density $\rho = N/V$ exceeding the onset density $\rho_f $ of freezing may exhibit phase coexistence between a crystalline nucleus and surrounding fluid. Using a method suitable for the estimation of the chemical potential of dense fluids we obtain the excess free energy due to the surface of the crystalline nucleus. There is neither a need to precisely locate the interface nor to compute the (anisotropic) interfacial tension. As a test case, a soft version of the Asakura-Oosawa model for colloid polymer-mixtures is treated. While our analysis is appropriate for crystal nuclei of arbitrary shape, we find the nucleation barrier to be compatible with a spherical shape, and consistent with classical nucleation theory.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2015-01-07 | Physical review letters |