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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-sci2004
The convergence of the ab-initio many-body expansion for the cohesive energy of solid mercury
Beate Paulus, Krzysztof Rosciszewski, Nicola Gaston +2
A many-body expansion for mercury clusters of the form E = \sum_{i<j}Δε_{ij} + \sum_{i<j<k}Δε_{ijk} + ... \quad, does not converge smoothly with increasing cluster size towards the…