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: G00.00071 : Elastic anisotropy of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB) as a function of temperature and pressure: A Molecular Dynamics study
Presenter:
Paul Lafourcade
(CEA DAM DIF)
Authors:
Paul Lafourcade
(CEA DAM DIF)
Nicolas Bruzy
(CEA DAM DIF)
Jean-Bernard Maillet
(CEA DAM DIF)
Christophe Denoual
(CEA DAM DIF)
The isothermal elastic constants are computed using the generalized Hooke’s law by fitting Cauchy stress vs. linear strain curves. Along isobaric pathways, TATB single crystal stiffness is found to undergo linear softening, less pronounced at high pressure, while maintaining its elastic anisotropy. On the other hand, along isothermal pathways, a non-linear increase is observed in the elastic constants with a significant decrease in anisotropy.
Towards a precise mesoscopic modeling of TATB single crystal mechanical behavior, we provide “ready to plug-in” analytical formulations of the P,V,T equation of state and pressure-temperature dependent non-linear elasticity.
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