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Coupled effect of size, strain rate, and temperature on the shape memory of a pentagonal Cu nanowire

Vijay Kumar Sutrakar1 and D Roy Mahapatra2,3

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A body-centered pentagonal nanobridge structure with lattice constants c = 2.35 and a = 2.53 Å has been observed under high strain rate tensile loading on an initially constrained \langle
100\rangle \mbox {/} \{100\} Cu nanowire at various temperatures. Extensive molecular dynamics (MD) simulations have been performed using the embedded atom method (EAM) for cross-sectional dimensions ranging from 0.723 × 0.723 to 2.169 × 2.169 nm2, temperature ranging from 10 to 600 K, and strain rates of 109–107 s−1. Formations of such pentagonal nanowire are observed for a temperature range 200–600 K for particular cross-sectional dimensions and strain rates. A large inelastic deformation of ~50% is obtained under both isothermal loading and adiabatic loading. With very high degree of repeatability of such pentagonal nanowire formation, the present findings indicate that the interesting stability property and high strength of elongated nanowires have various potential applications in nanomechanical and nanoelectronic devices. Further, we demonstrate a novel thermomechanical unloading mechanism by which it is possible to impart recovery from a pentagonal nanowire following a hysteresis loop: \langle 100\rangle \mbox {/}\{100\}\to \mathrm {pentagonal}\to
\langle 110\rangle \mbox {/}\{111\}\to \langle 100\rangle \mbox {/}
\{100\} .


PACS

68.65.-k Low-dimensional, mesoscopic, and nanoscale systems: structure and nonelectronic properties

61.46.-w Structure of nanoscale materials

81.40.Lm Deformation, plasticity, and creep

64.70.K- Solid–solid transitions

62.25.-g Mechanical properties of nanoscale systems

62.20.F- Deformation and plasticity

Subjects

Surfaces, interfaces and thin films

Condensed matter: structural, mechanical & thermal

Nanoscale science and low-D systems

Dates

Issue 4 (28 January 2009)

Received 4 October 2008, in final form 15 November 2008

Published 19 December 2008



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