References of "Turci, Francesco 40080217"
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See detailCrystal growth from a supersaturated melt: Relaxation of the solid-liquid dynamic stiffness
Turci, Francesco UL; Schilling, Tanja UL

in Journal of Chemical Physics (2014), 141

We discuss the growth process of a crystalline phase out of a metastable over-compressed liquid that is brought into contact with a crystalline substrate. The process is modeled by means of molecular ... [more ▼]

We discuss the growth process of a crystalline phase out of a metastable over-compressed liquid that is brought into contact with a crystalline substrate. The process is modeled by means of molecular dynamics. The particles interact via the Lennard-Jones potential and their motion is locally thermalized by Langevin dynamics. We characterize the relaxation process of the solid-liquid interface, showing that the growth speed is maximal for liquid densities above the solid coexistence density, and that the structural properties of the interface rapidly converge to equilibrium-like properties. In particular, we show that the off-equilibrium dynamic stiffness can be extracted using capillary wave theory arguments, even if the growth front moves fast compared to the typical diffusion time of the compressed liquid, and that the dynamic stiffness converges to the equilibrium stiffness in times much shorter than the diffusion time. [less ▲]

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See detailSolid phase properties and crystallization in simple model systems
Turci, Francesco UL; Schilling, Tanja UL; Yamani, M.H et al

in European Physical Journal. Special Topics (2014), 223

We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous ... [more ▼]

We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous crystal nucleation for the simple model systems of hard spheres and Lennard–Jones particles. For the equilibrium properties of bulk and interfaces, density functional theories employing fundamental measure functionals prove to be a precise and versatile tool, as exemplified with a closer analysis of the hard sphere crystal–liquid interface. A detailed understanding of the dynamic process of nucleation in these model systems nevertheless still relies on simulational approaches. We review bulk nucleation and nucleation at structured walls and examine in closer detail the influence of walls with variable strength on nucleation in the Lennard–Jones fluid. We find that a planar crystalline substrate induces the growth of a crystalline film for a large range of lattice spacings and interaction potentials. Only a strongly incommensurate substrate and a very weakly attractive substrate [less ▲]

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See detailCrystallization mechanism in melts of short n-alkane chains
Anwar, Muhammad UL; Turci, Francesco UL; Schilling, Tanja UL

in Journal of Chemical Physics (2013), 139(21),

We study crystallization in a model system for eicosane (C20) by means of molecular dynamics simulation and identify the microscopic mechanisms of homogeneous crystal nucleation and growth. For the ... [more ▼]

We study crystallization in a model system for eicosane (C20) by means of molecular dynamics simulation and identify the microscopic mechanisms of homogeneous crystal nucleation and growth. For the nucleation process, we observe that chains first align and then straighten. Then the local density increases and finally the monomer units become ordered positionally. The subsequent crystal growth process is characterized by a sliding-in motion of the chains. Chains preferably attach to the crystalline cluster with one end and then move along the stems of already crystallized chains towards their final position. This process is cooperative, i.e., neighboring chains tend to get attached in clusters rather than independently. [less ▲]

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See detailGrowth kinetics of solid-liquid interface
Turci, Francesco UL; Schilling, Tanja UL; Oettel, Martin

Poster (2013)

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