6533b821fe1ef96bd127ae3a

RESEARCH PRODUCT

Dynamic self-assembly of non-Brownian spheres studied by molecular dynamics simulations.

O. CarventeJ. C. Ruiz-suárezM. Salazar-cruzF. Peñuñuri

subject

Phase transitionMaterials scienceNucleation02 engineering and technology021001 nanoscience & nanotechnologyAtomic packing factor01 natural sciencesIsothermal processlaw.inventionMolecular dynamicslawChemical physics0103 physical sciencesSPHERESCrystallization010306 general physics0210 nano-technologyBrownian motion

description

Granular self-assembly of confined non-Brownian spheres under gravity is studied by molecular dynamics simulations. Starting from a disordered phase, dry or cohesive spheres organize, by vibrational annealing, into body-centered-tetragonal or face-centered-cubic structures, respectively. During the self-assembling process, isothermal and isodense points are observed. The existence of such points indicates that both granular temperature and packing fraction undergo an inversion process that may be in the core of crystal nucleation. Around the isothermal point, a sudden growth of granular clusters having the maximum coordination number takes place, indicating the outcome of a first-order phase transition. We propose a heuristic equation that successfully describes the dynamic evolution of the local packing fraction in terms of the local granular temperature, along the entire crystallization process.

10.1103/physreve.93.020902https://pubmed.ncbi.nlm.nih.gov/26986278