Development of methods for the multiscale simulation of materials

Author(s)

Giovani Manzeppi Faccin

• Document type: Master's Dissertation
• Press: Campinas, SP.
• Institution: Universidade Estadual de Campinas (UNICAMP). Instituto de Física Gleb Wataghin
• Defense date: 2007-08-31

Examining board members

Edison Zacarias da Silva; Silvio Antonio Sachetto Vitiello; Rogério Custodio

• Advisor: Edison Zacarias da Silva

Abstract

The present work's objetive is the development of a software system for the multiscale simulation of materials focused on nanoscience applications. To achieve this goal, a molecular dynamics system was built from scratch. Using this system, the structural and thermal properties of small metallic clusters and also the problem of dynamic fracture were studied. Once the system was validated with these problems, some components necessary to the coupling between the atomic scale, modelled through molecular dynamics, and the continuum scale, modelled through the finite element method, were developed. Using these components, simulations that illustrate the coupling between scales were then performed. (AU)

• FAPESP's process: 05/52769-0 - Development of methods for the multiscale simulation of materials
• Grantee: Giovani Manzeppi Faccin
• Support Opportunities: Scholarships in Brazil - Master