@Article{cmc.2012.030.195,
AUTHOR = {Guojian  Li, Qiang  Wang, Yongze  Cao, Kai  Wang, Jiaojiao Du, Jicheng  He},
TITLE = {Icosahedral-Decahedral Transformation in the (PdAg)<sub>309</sub> Cluster Induced by Ag Atomic Segregation},
JOURNAL = {Computers, Materials \& Continua},
VOLUME = {30},
YEAR = {2012},
NUMBER = {3},
PAGES = {195--206},
URL = {http://www.techscience.com/cmc/v30n3/27887},
ISSN = {1546-2226},
ABSTRACT = {This paper studies the influence of Ag atomic segregation on the structural evolutions of the mixed (PdAg)<sub>309</sub> clusters during the heating processes by using molecular dynamics with a general embedded atom method. The results show that the Ag atomic segregation makes the cluster exhibit a segregate-melting stage in which the energy does not monotonic increase with the increase of temperature. In this stage, the cluster first transforms to form a disorder structure from the initial icosahedron and then a decahedron. By comparing with the cases in the pure Pd<sub>309</sub>, Ag<sub>309</sub>, and core-shell (PdAg)<sub>309</sub>, it is found that the icosahedral-decahedral transformation is induced by the Ag atomic segregation.},
DOI = {10.3970/cmc.2012.030.195}
}