advanced-materials-2017-scientifictracks-abstracts

14 / 55

Page 38
Notes:
conferenceseries.com
Volume 5, Issue 5 Res. Rev. J Mat. Sci. 2017
ISSN: 2321-6212 Advanced Materials 2017
September 07-08, 2017
September 07-08, 2017 | Edinburgh, Scotland
Advanced materials & Processing
11th International Conference on
Formation of carbon-based nanostructures from carbon suboxide decomposition at high pressure and
temperature – AReaxFF study
Xavier Bidault and Nicolas Pineau
CEA DAM/DIF, France
In high-pressure and -temperature conditions of detonation, carbon-rich explosives produce carbon-based nanostructures like
Nano diamonds. The formation process from these organic compounds is still not clear and the published Molecular Dynamics
studies are either limited to carbon condensation with no chemistry, which is quite basic, or by computer resources when modeling
systems with full “carbon-hydrogen-oxygen-nitrogen” chemistry, preventing long-time simulations. As the formed nanostructures are
mainly composed of carbon and oxygen (with low amounts of hydrogen and nitrogen), An intermediate system between non-reactive
and full-chemistry ones can be represented by carbon sub oxide (C3 O2), in mixture with Argon. When modeled with a reactive force
field (ReaxFF-lg, this system catches experimental results of low-pressure detonation (~10 bar) and allows extrapolations in the high-
pressure domain of solid-state high-explosive detonations (up to 60 GPa). In these extreme conditions, it appears that the formation
process of carbon-based nanostructures is deeply modified and the results obtained from this reactive carbon-oxygen system give
new insights on the formation of Nano diamonds.
Biography
Xavier Bidault has his expertise in modeling and analysis of nanostructured materials by Molecular Dynamics. In order to study nanostructured optical fibers,
the simple adaptive model that he developed during his Physics PhD allowed the simulations to reproduce for the first time the separation of phases of complex
compositions in silica-based glasses, as experimentally observed. He now enlarges his skills to organic materials to understand how the granularity (surface energy
and porosity) of a nanostructured energetic material impacts its reactivity under shock, with a focus on Nano diamond formation.
Xavier Bidault et al., Res. Rev. J Mat. Sci. 2017, 5:5
DOI: 10.4172/2321-6212-C1-005