Free-energy functional for freezing transitions: Hard sphere systems freezing into crystalline and amorphous structures

Autor: Singh, Swarn Lata, Bharadwaj, Atul S., Singh, Yashwant
Rok vydání: 2011
Předmět:
Zdroj: Physical Review E, 83, 051506 (2011)
Druh dokumentu: Working Paper
DOI: 10.1103/PhysRevE.83.051506
Popis: A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous structures. The freezing parameters for fluid-crystal transition have been found to be in very good agreement with the results found from simulations. We considered amorphous structures found from the molecular dynamics simulations at packing fractions $\eta$ lower than the glass close packing fraction $\eta_{J}$ and investigated their stability compared to that of a homogeneous fluid. The existence of free-energy minimum corresponding to a density distribution of overlapping Gaussians centered around an amorphous lattice depicts the deeply supercooled state with a heterogeneous density profile.
Databáze: arXiv