TY  - EJOU
AU  - Wang, Kai  
AU  - Li, Guojian  
AU  - Wang, Qiang  
AU  - Wang, Huimin  
AU  - Du, Jiaojiao  
AU  - He, Jicheng 

TI  - Structural Evolutions of the Clusters During the Melting and Coalescence Processes
T2  - Computers, Materials \& Continua

PY  - 2013
VL  - 38
IS  - 2
SN  - 1546-2226

AB  - Study on the behaviors of the melting and coalescence of clusters in atomic scale may create new structure at nanoscale, which is a very important research field. The structural evolutions of clusters Cu<sub>321</sub>, Co<sub>321</sub>, and Ni<sub>321</sub> during their melting and coalescence processes were studied using molecular dynamics simulation with a general embedded atom method in this paper. It was found that the geometries of Cu<sub>321</sub> and Co<sub>321</sub> transformed to icosahedron from fcc near their melting points, which leads to the increase of their melting points. Concerning the coalescence, it was found that Cu atoms easily formed a coating layer on the surface of Co<sub>321</sub> which inhibited the formation of icosahedron in the coalesced complex. The icosahedron was formed during the coalescence of Ni<sub>321</sub>Co<sub>321</sub>. These results indicated that the structures were tuned by changing the thermodynamic or coalescence processes.
KW  - Cluster
KW  -  coalescence
KW  -  melting
KW  -  molecular dynamics simulation

DO  - 10.3970/cmc.2013.038.079