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Journal of Nanoparticle Research

Erschienen in:

01.10.2011 | Research Paper

Size and temperature dependent stability and phase transformation in single-crystal zirconium nanowire

verfasst von: Vijay Kumar Sutrakar, D. Roy Mahapatra

Erschienen in: Journal of Nanoparticle Research | Ausgabe 10/2011

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Abstract

A novel size dependent FCC (face-centered-cubic) → HCP (hexagonally-closed-pack) phase transformation and stability of an initial FCC zirconium nanowire are studied. FCC zirconium nanowires with cross-sectional dimensions <20 Å are found unstable in nature, and they undergo a FCC → HCP phase transformation, which is driven by tensile surface stress induced high internal compressive stresses. FCC nanowire with cross-sectional dimensions >20 Å, in which surface stresses are not enough to drive the phase transformation, show meta-stability. In such a case, an external kinetic energy in the form of thermal heating is required to overcome the energy barrier and achieve FCC → HCP phase transformation. The FCC-HCP transition pathway is also studied using Nudged Elastic Band (NEB) method, to further confirm the size dependent stability/metastability of Zr nanowires. We also show size dependent critical temperature, which is required for complete phase transformation of a metastable-FCC nanowire.

Vorheriger Artikel Morphological, structural, and magnetic properties of Co nanoparticles in a silicon oxide matrix

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Titel: Size and temperature dependent stability and phase transformation in single-crystal zirconium nanowire
verfasst von: Vijay Kumar Sutrakar
D. Roy Mahapatra
Publikationsdatum: 01.10.2011
Verlag: Springer Netherlands
Erschienen in: Journal of Nanoparticle Research / Ausgabe 10/2011
Print ISSN: 1388-0764
Elektronische ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-011-0519-4

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