Proceedings of the Symposium on Chemoinformatics
38th Symposium on Chemoinformatics, Tokyo
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Oral Session
Melting by the molecular dynamics simulation on the unit cell of the face-centered cubic lattice
*Yosuke KataokaYuri Yamada
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Pages 26-27

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Abstract
To observe molecular motion in the liquid state, we performed molecular dynamics simulation on the unit cell of the face-centered cubic lattice by Lennard-Jones potential. The results show that the vibrational motion and diffusional one are observed in the small cell with the only 4 molecules in the basic cell as in the large cell with the 864 molecules.
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