Simulating Structural Transformation of a Cu1553 Nanoparticle on Heating at Atomic Scale
Keyword(s):
By means of molecular dynamics simulations within the framework of embedded atom method, we observe the structural transformation of a Cu nanoparticle containing 1553 atoms at atomic scale on a heating series from 350K to 1200K at an increment of 50K. With increasing the temperature, the structural changes result in apparent increases in internal energy. Pair distribution functions (PDFs) and pair analysis (PA) technique as well as the atom packing at different temperatures are used to identify the local structural patterns during the melting of this particle.
2018 ◽
Vol 32
(11)
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pp. 1850133
2007 ◽
Vol 539-543
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pp. 3528-3533
2013 ◽
Vol 275-277
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pp. 1802-1805
2020 ◽
Rapid solidification of Cu25at.% Ni alloy: molecular dynamics simulations using embedded atom method
1996 ◽
Vol 214
(1-2)
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pp. 139-145
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