There are three main objectives.
The first objective is to obtain realistic atomistic representations of several laminar pyrocarbons (RL,SL,ReL), as processed and after more or less prolonged heat treatments. To do so we will need :
- To create an experimental database of materials and properties
Measured properties
- Density
- Hydrogen amount
- Crystallographic data: d002, La, Lc, etc …
- pair Distribution Functions (Neutrons or X-ray Scattering)
- HRTEM micrographs
- Spectroscopic data (Raman, EELS, etc… )
- Mechanical (stiffness, toughness, …) and thermal properties
- To improve the atomistic reconstruction method utilizing the newly acquired data as reconstruction constraints.
The second objective is to evaluate mechanical and thermal properties from the reconstructed atomistic models: it is a key point for the understanding of the structure/property relationships.
The third objective is to achieve a mesoscopic description of laminar pyrocarbons in terms of coherent or pseudo-coherent domains. To do so direct (HRTEM-DF) and indirect (reconstructions based on HRTEM-LF images) data will be used. The result will be a change of scale : the mesostructure will be understood starting from nanostructure and imaging.
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