Aplicação de dinâmica molecular em sistemas com interação de potenciais competitivos

Abstract

In this work, we briefily present, the fundaments of the molecular dynamics computational simulation. The contents that serve as a theoretical basis for the development of this study are presented in a summary form. Next, a molecular dynamics technique is described in detail, highlighting the concepts and steps of its operational implementation. We implement an application via the study of the equilibrium configuration of the particle system, with pair interaction potentials with competitive features (terms of atraction and repulsion), as well as resources for a better understanding of the structures and interactions of particles of pair interaction potentials and the morphological analysis of competitive potentials