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MD simulation of HMX rupture under tensile stress

 
: Nardai, Michael M.; Bohn, Manfred A.

University of Pardubice:
21th Seminar on New Trends in Research of Energetic Materials, NTREM 2018. Proceedings. Pt.3 : April 18-20, 2018, Pardubice, Czech Republic
Pardubice: University of Pardubice, 2018
ISBN: 978-80-7560-136-0
pp.916-921
Seminar on New Trends in Research of Energetic Materials (NTREM) <21, 2018, Pardubice>
English
Conference Paper
Fraunhofer ICT ()

Abstract
In this contribution, preliminary results of tensile tests on beta-HMX performed in a molecular dynamics simulation are presented. From experimental structure data, an atomistic model is created and a stress versus strain curve is measured during the gradual deformation of a crystalline rod (in the nano-scale) along the crystallographic b-axis. In concordance with experimental findings, the linear elastic deformation of the crystallographic b axis of beta-HMX shows a slope in modulus of roughly 14.4 GPa, until a stress maximum of 0.3 GPa is reached at a strain of 2%. Further strain results in a stress plateau at 0.3 GPa, where molecular rearrangement occurs within a plane perpendicular to the b-axis, at the outer region of a rod-shaped specimen, which corresponds to plastic deformation. At a strain of 0.28, the peel-like rupture is completed.

: http://publica.fraunhofer.de/documents/N-494151.html