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Molecular dynamics study of ionic aggregation in molten SmCl3NaCl system

✍ Scribed by Y. Iwadate; H. Yamoto; K. Fukushima; R. Takagi

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
440 KB
Volume
83
Category
Article
ISSN
0167-7322

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✦ Synopsis

The short range structure of molten SmC13-NaC1 system at different compositions and temperatures was studied by the conventional molecular dynamics simulation (MD). According to this work, the octahedral SmC1G '~ complex anions were found to exist indeed not only in the pure melt but also in the whole mixture melts, and the ionic arrangements were deduced from the analyses of pair correlation functions and running coordination numbers.

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