PyroMaN

This project aims to describe quantitatively the spatial arrangement of carbon atoms in pyrocarbons, which are dense, anisotropic forms of carbon of high added value containing both order and disorder through several length scales, and to provide structure-property relationships through a fully computational approach of the properties as compared to experimental data. The work plan is divided in five tasks. First, samples will be prepared and experimental data will be acquired by several methods, especially by X-ray and neutron scattering experiments. Second, a thorough characterization by TEM and derived tools (HRTEM, EELS, EXELFS, SAED) will be made. The third step is to apply image analysis and synthesis tools, in order to produce from 2D lattice-fringe HRTEM images some 3D blocks with similar properties. The fourth step consists in (i) performing atomistic reconstructions, which are primarily guided by the 3D images from task 3, as well as by any other experimental data from tasks 1 & 2, and (ii) computing physical and chemical properties from these reconstructions. The last task will be to collect the results and to provide a comprehensive overview of the structure-properties relationships in this class of materials.