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UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS Guest
2025-08-20 23:00 |
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Conference: Bucharest University Faculty of Physics 2025 Meeting
Section: Polymer Physics
Title:
Interactive Python Framework for Modeling Polymer Crystal Growth
Authors:
Catalin BERLIC (1), Cristina MIRON (1), Valentin BARNA (1), Adrian BERLIC (1,2)
Affiliation:
1) University of Bucharest, Faculty of Physics, 405 Atomistilor Street, 077125, Magurele, Romania
2) National Meteorological Administration, 97 Soseaua Bucuresti - Ploiesti, Bucharest, Romania
E-mail
cataliniulian.berlic@g.unibuc.ro
Keywords:
polymer crystallization, Monte Carlo simulation, Avrami kinetics, 3D visualization, Python GUI, educational toolkit
Abstract:
We present a Python-based toolkit that simulates and visualizes the nucleation of polymer crystals within a user-defined domain. The framework combines a Monte Carlo–driven growth algorithm with an interface that allows users to set simulation parameters, monitor crystal volume evolution, and inspect three-dimensional structures in real time. Through a series of case studies, we investigate how variations in instantaneous nucleation probability, temperature–dependent growth rates, and box dimensions influence overall crystallization kinetics and morphology of crystalline domains. This tool not only streamlines the exploration of fundamental polymer crystallization phenomena but also provides a flexible platform for extending Monte Carlo methods to more complex macromolecular systems.
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