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Thermal conductivity dependence on chain length in amorphous polymers
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10.1063/1.4804237
/content/aip/journal/jap/113/18/10.1063/1.4804237
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/18/10.1063/1.4804237

Figures

Image of FIG. 1.
FIG. 1.

The distribution of the bulk density with CL by comparison with present MD results, MC results, and experimental results (inset represents the radial distribution function () between beads by UA MD simulation, AUA MD simulation, and the experimental results ).

Image of FIG. 2.
FIG. 2.

The distribution of the thermal conductivity and MSD with different CL (CL = 4 ∼ 1260). (a) The total distribution of the thermal conductivity with CL = 4 ∼ 1260 (inset represents the typical temperature profile and linear fitting of NEMD simulation for thermal conduction). (b) The thermal conductivity from CL = 4 ∼ 30 (inset represents the distribution of MSD with different CL).

Image of FIG. 3.
FIG. 3.

The six typical structures for CL = 7 ∼ 12 with  = 300 K and  = 1 atm at the same time stage in the ensemble after annealing process. (a) CL = 7 ( plane); (b) CL = 8 ( plane); (c) CL = 9 ( plane); (d) CL = 10 ( plane); (e) three-dimensional figure of CL = 11; and (f) three-dimensional figure of CL = 12.

Image of FIG. 4.
FIG. 4.

The number density of the UA beads for the six typical structures of Fig. 3 within , in which all the normalized coordinates of and are divided by the box length. (a) CL = 7; (b) CL = 8; (c) CL = 9; (d) CL = 10; (e) CL = 11; and (f) CL = 12.

Image of FIG. 5.
FIG. 5.

The radial distribution function (r) between beads for six kinds of CL in the ensemble after annealing process at the same time stage (inset represents six peak values of (r)).

Tables

Generic image for table
Table I.

Potential functions and their parameters in our UA MD simulations.

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/content/aip/journal/jap/113/18/10.1063/1.4804237
2013-05-10
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thermal conductivity dependence on chain length in amorphous polymers
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/18/10.1063/1.4804237
10.1063/1.4804237
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