Edge energies : atomistic calculations of a continuum quantity.
Journal Article
·
· Proposed for publication in Physical Review Letters.
OSTI ID:970726
Controlling the properties of self-assembled nanostructures requires controlling their shape. Size-dependent shape transitions, frequently observed at nanolength scales, are commonly attributed to edge energy effects. To rigorously test such theories against experiment, quantitative atomistic calculations of edge energies are essential, yet none exist. I describe a fundamental ambiguity in the atomistic definition of edge energies, propose a definition based on equimolar dividing surfaces, and present an atomistic calculation of edge energies for Pd clusters.
- Research Organization:
- Sandia National Laboratories
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 970726
- Report Number(s):
- SAND2005-3837J
- Journal Information:
- Proposed for publication in Physical Review Letters., Journal Name: Proposed for publication in Physical Review Letters.
- Country of Publication:
- United States
- Language:
- English
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