Vitor Rafael Coluci

• Abstract

  Thermal conductivity is a crucial property for developing applications in energy harvesting, thermal dissipation, and quantum computing. One of the most used approach to predict the thermal conductivity is by the analysis of the dissipation of the heat flux fluctuations in equilibrium molecular dynamics simulations, by integrating the heat flux auto-correlation function. To achieve the co…

  Evaluation of thermal conductivity from Green's functions molecular dynamics, AP.R
• Research Connect Communication Skills for Researchers | Limeira - SP, AO.R

• Abstract

  Graphene oxide (GO) is an important nanomaterial that has been used in various environmental applications due to its versatile chemical composition. Despite the great interest in GO and its properties, there is currently no consensus on its structural form and several models have been proposed. It has recently been proposed a model where the structure would consist of GO sheets and fragme…

  Computational modeling of rupture mechanisms of graphene oxide, AP.R

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

• Abstract

  Nanomaterials have been used to remediate organic pollutants present in the water because they present high surface area and good solubility which allow to physical or chemically adsorb the pollutant molecules. The adsorption of the pollutant on the surface of the nanomaterial can reduce the concentration of the bioavailable pollutant in the environment and avoid potential damage to biolo…

  Adsorption of environmental pollutants on nanomaterials, BP.MS
• Investigation of the behavior of carbon nanotube oscillators using molecular dynamics simulations, BP.IC