Al20+ does melt, albeit above the bulk melting temperature of aluminium
Author:
Affiliation:
1. The MacDiarmid Institute for Advanced Materials and Nanotechnology
2. Victoria University of Wellington
3. Wellington 6012
4. New Zealand
5. Department of Chemistry
6. University of Kansas
7. Lawrence
8. USA
Abstract
Employing first principles parallel tempering molecular dynamics in the microcanonical ensemble, we report the presence of a clear solid–liquid-like melting transition in Al20+ clusters, not found in experiments.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05143B
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