Roberto Gomes de Aguiar Veiga

• Abstract

  Atomistic simulations of materials (e.g., molecular dynamics and Monte Carlo) for systems with thousands or even millions of atoms need the interactions of the atoms be described by means of simple analystical functions. Those so-calledinteratomic potentials (or force fields) replace the computationally expensive solution of Schroedinger's equation for the description of atomic bonding. T…

  Development of empirical potentials for computer simulations of materials, AP.R

• Abstract

  The aim of the ongoing FAPESP project is to investigate in a fundamental levei aspects of plastic deformation in metallic materials at the nanoscale employing computational techníques.Cold spray (CS) is a high rate material deposition technique used to produce metallic coatings from micron-size feedstock powder particles. In CS, the powder particles are accelerated to achieve high impact …

  Molecular dynamics simulations of advanced materials consolidated by cold spray additive manufacturing, AP.R SPRINT

• Abstract

  Malleability and ductility are distinguishing features of many metals and metallic alloys, which implies that those materials can be plastically deformed upon mechanical load before a fracture occurs. This plays an important role in the fabrication processes, as well as in the several technological applications of thosematerials. Nevertheless, those properties depend on the chemical compo…

  Multiscale computational modeling of the microstructural evolution and plasticity in metallic alloys, AP.JP

• Abstract

  Solid oxide fuel cells arose as alternatives for clean power generation that are able to convert chemical fuels into electric power. One of the chemical fuel candidates to be used with this kind of power generation device is ethanol, the importance of which for the Brazilian energetic matrix is well-known. In this project, the student work will focus on the study of the process of breakin…

  Theoretical-computational study of the ethanol molecule breakdown on nickel surface , BP.IC

• Abstract

  This project aims at investigating, using classical molecular dynamics with an EAM-type potential for Fe-C, aspects of the martensitic transformation at the atomistic level. During the project, the student is expected to learn about the computational method and also on the underlying physics of this important kind of phase transformation.

  Martensitic transformation in Fe-C systems with molecular dynamics, BP.IC
• Multiscale computational modeling of the microstructural evolution and plasticity in metallic alloys, BP.JP

(Only some records are available in English at this moment)