Atomistic Study of Deformation and Failure Behavior in Nanocrystalline Mg
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Atomistic Study of Deformation and Failure Behavior in Nanocrystalline Mg Garvit Agarwal, Gabriel Paun, Ramakrishna R. Valisetty, Raju Namburu, Arunachalam M. Rajendran and Avinash M. Dongare MRS Advances / FirstView Article / April 2016, pp 1 - 6 DOI: 10.1557/adv.2016.257, Published online: 11 April 2016
Link to this article: http://journals.cambridge.org/abstract_S2059852116002577 How to cite this article: Garvit Agarwal, Gabriel Paun, Ramakrishna R. Valisetty, Raju Namburu, Arunachalam M. Rajendran and Avinash M. Dongare Atomistic Study of Deformation and Failure Behavior in Nanocrystalline Mg. MRS Advances, Available on CJO 2016 doi:10.1557/adv.2016.257 Request Permissions : Click here
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MRS Advances © 2016 Materials Research Society DOI: 10.1557/adv.2016.257
Atomistic Study of Deformation and Failure Behavior in Nanocrystalline Mg Garvit Agarwal1, Gabriel Paun1, Ramakrishna R. Valisetty2, Raju Namburu2, Arunachalam M. Rajendran3 and Avinash M. Dongare1 1
Department of Materials Science and Engineering, and Institute of Materials Science, University of Connecticut, Storrs, CT, United States 2 Computational and Information Sciences Directorate, US Army Research Laboratory, Aberdeen Proving Ground, MD, United States 3 Department of Mechanical Engineering, University of Mississippi, University, MS, United States ABSTRACT Large scale molecular dynamics (MD) simulations are carried out to investigate the failure response of nanocrystalline Mg using the EAM potential under conditions of uniaxial tensile stress and uniaxial tensile strain loading. The MD simulations are carried out at a strain rate of 109s-1 for grain sizes in the range of 10 nm to 30 nm. The effect of grain size on the strength of the metal is investigated and the critical grain size for transition to inverse Hall-Petch regime is identified. I
INTRODUCTION
Owing to their high specific strength, hexagonal close packed (HCP) metals like Magnesium (Mg) and Mg alloys are being considered for use in structural applications under extreme environments [1,2]. This requires a fundamental understanding of deformation and failure response of material under extreme loading conditions. As a result, molecular dynamics (MD) simulations have been used to investigate the structure and deformation behavior of individual grain boundaries in HCP metals [3,4,5]. However, very few studies have focused on the failure response of polycrystalline microstructures under high strain rate loading [6,7]. The deformation response of polycrystalline metals is guided by the competition between the dislocation based plasticity and grain boundary (GB) dominated processes such as grain boundary sliding and grain rotation when the grain size is reduced to nanometer scale. The increase in strength of the metal with a decrease in the grain size (Hall-Petch effect) is attri
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