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Orientation, Size, and Temperature Dependent Ductile Brittle Transition in NiAl Nanowire under Tensile Loading - A Molecular Dynamics Study

Sutrakar, VK and Pillai, ACR and Mahapatra, Roy D (2014) Orientation, Size, and Temperature Dependent Ductile Brittle Transition in NiAl Nanowire under Tensile Loading - A Molecular Dynamics Study. In: DEFENCE SCIENCE JOURNAL, 64 (2). pp. 179-185.

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Abstract

In the present paper, thermo-mechanical response of B2-NiAl nanowire along the < 100 >, < 110 >, and < 111 > orientations has been studied using molecular dynamics simulations. Nanowire with cross-sectional dimensions of similar to 20x20 angstrom(2), similar to 25x25 angstrom(2), and similar to 30x30 angstrom(2) and temperature range of 10 K-900 K has been considered. A Combined effect of size, orientation, and temperature on the stress-strain behavior under uniaxial tensile loading has been presented. It has been observed that < 111 > oriented NiAl nanowire that is energetically most stable gives highest yield stress which further reduces with < 110 > and < 100 > orientations. A remarkable ductile brittle transition (DBT) with an increase in temperature has also been reported for all the orientations considered in the present study. The DBT observed for the nanowire has also been compared with the reported DBT of bulk B2-NiAl obtained from experiments. Alternate technique has also been proposed to increase the toughness of a given material especially at lower temperature regions, i.e. below DBT.

Item Type: Journal Article
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Additional Information: Copy right for this article belongs to the DEFENCE SCIENTIFIC INFORMATION DOCUMENTATION CENTRE, METCALFE HOUSE, DELHI 110054, INDIA
Keywords: Intermetallic compounds; nanostructurs; molecular dynamics; mechanical properties; phase transitions; ductile brittle transition temperature
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering (Formerly, Aeronautical Engineering)
Date Deposited: 03 Sep 2014 09:16
Last Modified: 03 Sep 2014 09:16
URI: http://eprints.iisc.ernet.in/id/eprint/49740

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