Coarse-grained cellular automaton simulation of spherulite growth during polymer crystallization - Condensed Matter > Soft Condensed MatterReportar como inadecuado




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Abstract: The work introduces a 3D cellular automaton model for the spatial andcrystallographic prediction of spherulite growth phenomena in polymers at themesoscopic scale. The automaton is discrete in time, real space, andorientation space. The kinetics is formulated according to theHoffman-Lauritzen secondary surface nucleation and growth theory for spheruliteexpansion. It is used to calculate the switching probability of each grid pointas a function of its previous state and the state of the neighboring gridpoints. The actual switching decision is made by evaluating the local switchingprobability using a Monte Carlo step. The growth rule is scaled by the ratio ofthe local and the maximum interface energies, the local and maximum occurringGibbs free energy of transformation, the local and maximum occurringtemperature, and by the spacing of the grid points. The use of experimentalinput data provides a real time and space scale.



Autor: D. Raabe

Fuente: https://arxiv.org/







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