Statistical and mechanical properties of graphene using Monte Carlo simulations

• Κύριος συγγραφέας: Καλλιβωκάς, Σπύρος
• Άλλοι συγγραφείς: Καλόσακας, Γιώργος
• Μορφή: Thesis
• Γλώσσα: English
• Έκδοση: 2016
• Θέματα: Graphene; Statistical properties; Young modulus; Mechanical properties; Monte Carlo; Γραφένιο; Στατιστικές ιδιότητες; Μέτρο του Young; Μηχανικές ιδιότητες; 547.61

Graphene, a 2 dimensional carbon allotrope's material, has been discoverd by Andrea Geim & Kostya Novoselov in 2004 [1], and for that reason they awarded with the Nobel prize in Physics in 2010. It's extraordinary physical properties make it the so-called wonder material. The majority of its physical properties (strength fracture, electrical and thermal conductivity, optical properties) [1], [2], [3], [4], are one order of magnitude above all the best advanced materials. So this make it a promising supermaterial to improve the quality of life. Monte Carlo , is a computational physics method, which was developed in the late of 40's in Los Alamos National Laboratory [5]. Nowadays it is a widely used method in various branches of natural sciences. In this work we studied the statistical and mechanical properties of a free standing monolayer graphene, in two dimensions, in a computational physics approach, using Monte Carlo simulations. The whole work is lab-homemade (from the graphene potentials , the codes and the algorithm). In order to evaluate these lab-made potentials we will study known properties of graphene. The first point of our work was to see the statistical properties in the in-plane free standing monolayer graphene. After we compared the results of our work with a previous one with Molecular Dynamics, with the same potentials, and they are quite satisfactory. At last we studied the mechanical properties, and especially the mechanical behavior, in finite temperatures, and we measured the dependence of Young modulus of temperature, and we saw a difference from other published works.