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Molecular dynamics simulations of shock-induced plasticity in tantalum

Diego Tramontina ; Paul Erhart (Institutionen för teknisk fysik, Material- och ytteori) ; Timothy Germann ; James Hawreliak ; Andrew Higginbotham ; Nigel Park ; Raman Ravelo ; Alexander Stukowski ; Mathew Suggit ; Yizhe Tang ; Justin Wark ; Eduardo Bringa
High Energy Density Physics (1574-1818). Vol. 10 (2014), 3, p. 9-15.
[Artikel, refereegranskad vetenskaplig]

We present Non-Equilibrium Molecular Dynamics (NEMD) simulations of shock wave compression along the [001] direction in monocrystalline Tantalum, including pre-existing defects which act as dislocation sources. We use a new Embedded Atom Model (EAM) potential and study the nucleation and evolution of dislocations as a function of shock pressure and loading rise time. We find that the flow stress and dislocation density behind the shock front depend on strain rate. We find excellent agreement with recent experimental results on strength and recovered microstructure, which goes from dislocations to a mixture of dislocations and twins, to twinning dominated response, as the shock pressure increases.

Nyckelord: Tantalum; Molecular dynamics; Shocks



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Denna post skapades 2014-01-03. Senast ändrad 2016-04-04.
CPL Pubid: 191035

 

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Institutioner (Chalmers)

Institutionen för teknisk fysik, Material- och ytteori (1900-2015)

Ämnesområden

Materialvetenskap
Fysik
Defekter och diffusion
Beräkningsfysik

Chalmers infrastruktur

C3SE/SNIC (Chalmers Centre for Computational Science and Engineering)