Bulletin of the American Physical Society
22nd Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 67, Number 8
Monday–Friday, July 11–15, 2022; Anaheim, California
Session G00: Poster Session (5:30pm-7:30pm PDT)
5:30 PM,
Monday, July 11, 2022
Anaheim Marriott
Room: Platinum 7-10
Abstract: G00.00036 : Investigation of core/shell nanoparticles properties by classical molecular dynamic study*
Presenter:
Nicolas Pineau
(CEA de Bruyeres-le-Chatel)
Authors:
Faoulat Miradji
(CEA)
Denis Spitzer
(ISL)
Nicolas Pineau
(CEA de Bruyeres-le-Chatel)
Due to the thermal instability of hexolite core/shell structures, experimental characterization of these systems is challenging therefore a theoretical investigation appeared as a relevant approach to elucidate the properties of these heteregenous materials under ambiant and extreme conditions.
This task is undertaken by molecular dynamic simulation, performed using the STAMP code developed at CEA/DAM [2].
In this work, we present a molecular dynamics study of the thermophysical properties of model core-shell RDX/TNT nanoparticles. We focus on the nature of the core-shell interface with comparison to regular planar interfaces. The SFE process is also tentatively simulated in order to unravel the first mechanisms involved in the formation of this peculiar structures.
*ANR ASTRID NANOCOCOX
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