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Molecular simulation of the carbon nanotube growth mode during catalytic synthesis
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10.1063/1.2945798
/content/aip/journal/apl/92/23/10.1063/1.2945798
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/23/10.1063/1.2945798

Figures

Image of FIG. 1.
FIG. 1.

A two-dimensional orthographic view of the MD simulation domain with the CNT (green), which is surrounded by ambient Ar (gray), growing on top of the metal catalyst particle (blue) that has dissolved carbon (red).

Image of FIG. 2.
FIG. 2.

The variation of the total system energy with time.

Image of FIG. 3.
FIG. 3.

The variation of the energy change with respect to temperature for Ni and Fe.

Tables

Generic image for table
Table I.

LJ interaction parameters for Fe, Ni, C, and Ar.

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/content/aip/journal/apl/92/23/10.1063/1.2945798
2008-06-13
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular simulation of the carbon nanotube growth mode during catalytic synthesis
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/23/10.1063/1.2945798
10.1063/1.2945798
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