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cond-mat.mtrl-sci2015★ 1 cited
Characterizing the greater-than-bulk melting behaviour of Ga-Al nanoalloys
Udbhav Ojha, Nicola Gaston
Phase diagrams are the most reliable way of predicting phase changes in a system. In this work, we create the phase diagram of the Ga(20-x)Al(x)+ bimetallic cluster system, for whi…
cond-mat.mtrl-sci2014★ 11 cited
Al20+ does melt, albeit above the bulk melting temperature of aluminium
Udbhav Ojha, Krista G. Steenbergen, Nicola Gaston
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+ clu…