Surface-stress-induced phase transformation in metal nanowires.
Several researchers have demonstrated, through experiments and analysis, that the structure and properties of nanometre-scale materials can be quite different to those of bulk materials due to the effect of surfaces. Here we use atomistic simulations to study a surface-stress-induced phase transformation in gold nanowires. The emergence of the transformation is controlled by wire size, initial orientation, boundary conditions, temperature and initial cross-sectional shape. For a <100> initial crystal orientation and wire cross-sectional area below 4 nm(2), surface stresses alone cause gold nanowires to transform from a face-centred-cubic structure to a body-centred-tetragonal structure. The transformation occurs roughly when the compressive stress caused by tensile surface-stress components in the length direction exceeds the compressive stress required to transform bulk gold to its higher energy metastable crystal structure.
Duke Scholars
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Related Subject Headings
- Surface Properties
- Stress, Mechanical
- Nanotechnology
- Nanoscience & Nanotechnology
- Motion
- Molecular Conformation
- Models, Molecular
- Models, Chemical
- Materials Testing
- Macromolecular Substances
Citation
Published In
DOI
EISSN
ISSN
Publication Date
Volume
Issue
Start / End Page
Related Subject Headings
- Surface Properties
- Stress, Mechanical
- Nanotechnology
- Nanoscience & Nanotechnology
- Motion
- Molecular Conformation
- Models, Molecular
- Models, Chemical
- Materials Testing
- Macromolecular Substances