Yapay Zeka Hızlı Bakış & Çıkarımlar
AI InsightThe other tools we’ve used for analysing stability are excess energy and second difference energy calculations.
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Özet
A detailed theoretical study has been made of 40 atom Pd-Co nanoalloy clusters in gas phase, with the interatomic interactions modelled by Gupta many-body potential. For all compositions of PdnCom n+m=40 clusters, a genetic algortihm has been used to find the lowest energy structures. A number of different structure motifs have been identified based on polyicosahedron. We’ve calculated the energy difference between the Global Minimum and first isomer structures in order to analyse the stability. The other tools we’ve used for analysing stability are excess energy and second difference energy calculations.
Abstract
A detailed theoretical study has been made of 40 atom Pd-Co nanoalloy clusters in gas phase, with the interatomic interactions modelled by Gupta many-body potential. For all compositions of PdnCom n+m=40 clusters, a genetic algortihm has been used to find the lowest energy structures. A number of different structure motifs have been identified based on polyicosahedron. We’ve calculated the energy difference between the Global Minimum and first isomer structures in order to analyse the stability. The other tools we’ve used for analysing stability are excess energy and second difference energy calculations.