Atomistic modeling and simulation of the mechanical properties of sPMMA - graphene nanocomposites

• Main Author: Σκούντζος, Εμμανουήλ - Θεόδωρος
• Other Authors: Μαυραντζάς, Βλάσης
• Format: Thesis
• Language: English
• Published: 2014
• Subjects: Simulation; Molecular dynamics; Graphene; Polymer nanocomposites; Mechanical properties; PMMA; Προσομοίωση; Μοριακή δυναμική; Γραφένιο; Νανοσύνθετα πολυμερικά υλικά; Μηχανικές ιδιότητες; Πολυ (μεθακρυλικός μεθυλεστέρας); 620.192 042 92

Small concentrations of graphene can significantly alter the phase behavior and the mechanical and electrical characteristics of polymeric materials. In this Masters thesis, we present results from a hierarchical simulation methodology that leads to the prediction of the thermodynamic, conform...