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Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals

Ravelo, R. and An, Qi and Germann, Timothy C. and Holian, B. L. (2012) Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals. In: Shock Compression of Condensed Matter. AIP Conference Proceedings. No.1426. American Institute of Physics , Melville, NY, pp. 1263-1266. ISBN 978-0-7354-1006-0. https://resolver.caltech.edu/CaltechAUTHORS:20160420-142955634

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Abstract

We report on large-scale non-equilibrium molecular dynamics (NEMD) simulations of shock wave compression in Ta single crystals. The atomic interactions are modeled via a recently developed and optimized embedded-atom method (EAM) potential for Ta, which reproduces the equation of state up to 200 GPa. We examined the elastic-plastic transition and shock wave structure for wave propagation along the low index directions: (100), (110) and (111). Shock waves along (100) and (111) exhibit an elastic precursor followed by a plastic wave for particle velocities below 1.1 km/s for (100) and 1.4 km/s for (111). The nature of the plastic deformation along (110) is dominated by twinning for pressures above 41 GPa.


Item Type:Book Section
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.3686510DOIArticle
http://scitation.aip.org/content/aip/proceeding/aipcp/10.1063/1.3686510PublisherArticle
ORCID:
AuthorORCID
An, Qi0000-0003-4838-6232
Additional Information:© 2012 American Institute of Physics. Published online 29 March 2012. Part of this work was supported by the U.S. Department of Energy under contract DE-AC52-06NA25396. The authors thank James E. Hammerberg, Davis Tonks and Sheng-Nian Luo for useful discussions and valuable comments.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-AC52-06NA25396
Subject Keywords:Shock waves, molecular dynamics, metals, bcc, twinning, plasticity
Series Name:AIP Conference Proceedings
Issue or Number:1426
Classification Code:PACS: 62.50.Ef, 64.30.Ef, 61.72.Mm
Record Number:CaltechAUTHORS:20160420-142955634
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160420-142955634
Official Citation:Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals R. Ravelo, Qi An, Timothy C. Germann and B.L. Holian Source: AIP Conf. Proc. 1426, 1263 (2012); http://dx.doi.org/10.1063/1.3686510
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:66332
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:20 Apr 2016 21:50
Last Modified:03 Oct 2019 09:55

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