Abstract:
:Molecular-dynamics simulations have been used to study the diffusion of a short single model carbonic chain on the graphite (001) surface. The calculated diffusion coefficient (D) first increases, then decreases with increasing chain length (N). This abnormal behavior is similar to polymer lateral diffusion at the solid-liquid interface. Furthermore, we have studied the relation between the mean-square gyration radius and N. [Figure: see text].
journal_name
J Mol Modeljournal_title
Journal of molecular modelingauthors
Yang H,Lu ZY,Li ZS,Sun CCdoi
10.1007/s00894-005-0064-0subject
Has Abstractpub_date
2006-03-01 00:00:00pages
432-5issue
4eissn
1610-2940issn
0948-5023journal_volume
12pub_type
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