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cond-mat.stat-mech2004
Surface Driven Bulk Reconstruction of Gold Nanorods
Yanting Wang, S. Teitel, Christoph Dellago
Molecular dynamic simulations are used to study the heating of a gold nanorod of 2624 atoms. We show that roughening of surface {110} facets leads to a shape transformation and str…
cond-mat.mtrl-sci2004★ 224 cited
Melting of icosahedral gold nanoclusters from molecular dynamics simulations
Yanting Wang, S. Teitel, Christoph Dellago
Molecular dynamics simulations show that gold clusters with about 600--3000 atoms crystallize into a Mackay icosahedron upon cooling from the liquid. A detailed surface analysis sh…