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An Ultra-Stable Cu Nanowire under Thermo-Mechanical Loading: A Molecular Dynamic Study

Sutrakar, Vijay Kumar and Mahapatra, Roy D (2008) An Ultra-Stable Cu Nanowire under Thermo-Mechanical Loading: A Molecular Dynamic Study. In: International Conference on Smart Materials Structures and Systems, July 24-26, 2008, Bangalore, India.

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We report on the formation of a stable Body-Centered Heptahedral (BCH) crystalline nanobridge structure of diameter ~ 1nm under high strain rate tensile loading to a <100> Cu nanowire. Extensive Molecular Dynamics (MD) simulations are performed. Six different cross-sectional dimensions of Cu nanowires are analyzed, i.e. 0.3615 x 0.3615 nm2, 0.723 x 0.723 nm2, 1.0845 x 1.0845 nm2, 1.446 x 1.446 nm2, 1.8075 x 1.8075 nm2, and 2.169 x 2.169 nm2. The strain rates used in the present simulations are 1 x 109 s-1, 1 x 108 s-1, and 1 x 107 s-1. We have shown that the length of the nanobridge can be characterized by larger plastic strain. A large plastic deformation is an indication that the structure is highly stable. The BCH nanobridge structure also shows enhanced mechanical properties such as higher fracture toughness and higher failure strain. The effect of temperature, strain rate and size of the nanowire on the formation of BCH structure is also explained in details. We also show that the initial orientation of the nanowires play an important role on the formation of BCH crystalline structure. Results indicate that proper tailoring of temperature and strain rate during processing or in the device can lead to very long BCH nanobridge structure of Cu with enhanced mechanical properties, which may find potential application for nano-scale electronic circuits.

Item Type: Conference Paper
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited: 18 Nov 2009 10:16
Last Modified: 19 Sep 2010 04:51
URI: http://eprints.iisc.ac.in/id/eprint/16375

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