DYMAT 2009
Volume 2, 2009
DYMAT 2009 - 9th International Conference on the Mechanical and Physical Behaviour of Materials under Dynamic Loading
Page(s) 1277 - 1283
Section Constitutive Modeling
Published online 15 September 2009
DYMAT 2009 (2009) 1277-1283
DOI: 10.1051/dymat/2009180

Molecular dynamic simulation of thermodynamic and mechanical properties and behaviour of Be when high-rate straining

V. Dremov1, A. Karavaev1, F. Sapozhnikov1, M. Vorobyova1, I. Derbenev1 and L. Soulard2

1  Russian Federal Nuclear Centre – Institute of Technical Physics, Snezhinsk, Russia
2  CEA/DAM Ile-de-France, BP. 12, 91680 Bruyeres-le-Chatel, France

Published online: 15 September 2009

Classical MD approach has been applied to modeling Be properties and behavior under dynamic loading. Special attention has been paid to calculation of melting curve and physical properties during melting. Hugoniostat MD technique was applied to obtain Hugoniot of beryllium taking melting into account. The results of calculations were compared to experimental data and the results of ab initio and quantum MD calculations. The results of direct MD simulation of shock wave loading of nano-polycrystalline beryllium (hcp grains, average grain size ~ 10 nm) and the data on dynamic yield stress as depended on shock stress were obtained. So as the length of Be samples used was about 0.2 μm only ultra-fast stage (time-scale ~ 20 ps) of the relaxation process behind shock front has been investigated. Results of the simulation have been discussed and analyzed along with experimental data

© EDP Sciences 2009