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Molecular dynamics simulation of thermal transport at a nanometer scale constriction in silicon
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10.1063/1.2715488
/content/aip/journal/jap/101/7/10.1063/1.2715488
http://aip.metastore.ingenta.com/content/aip/journal/jap/101/7/10.1063/1.2715488
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic diagram of the simulation box. The initial temperature is . and .

Image of FIG. 2.
FIG. 2.

(a) Time-averaged temperature of the grid space at the center of the constriction for a constriction radius of and doping concentration of . (b) Time-averaged total heat current across the boundaries of rectangular boxes at different vertical distances or depths measured from the constriction. The width of the box is twice the depth.

Image of FIG. 3.
FIG. 3.

Two-dimensional projection of atoms in a deep, high, and wide box centered at the constriction (a) at the beginning and (b) at the completion of the simulation.

Image of FIG. 4.
FIG. 4.

Temperature distribution on the vertical section passing through the center of the constriction with a constriction radius of and a boron doping concentration of .

Image of FIG. 5.
FIG. 5.

Temperature profile along the vertical axis passing the center of the constriction as a function of the distance from the constriction. The constriction radius is . The doping concentration is .

Image of FIG. 6.
FIG. 6.

as a function of for corresponding to .

Image of FIG. 7.
FIG. 7.

The MD thermal resistance (filled circles) as a function of constriction radius for . Also plotted are (solid black line) based on Eq. (4), (dashed black line) from Eq. (2) with the use of the bulk , and the total thermal resistance (dotted line) calculated using Eqs. (1), (2), and (4).

Image of FIG. 8.
FIG. 8.

(open circles) and (solid line) as a function of for .

Image of FIG. 9.
FIG. 9.

MD thermal resistance (filled circles) of the constriction as a function of for . Also shown are (line) from Eq. (4) and the total thermal resistance (open squares) calculated using Eqs. (1), (2), and (4) with the use of the bulk . The inset shows the obtained from Eq. (2) with the use of bulk .

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/content/aip/journal/jap/101/7/10.1063/1.2715488
2007-04-10
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular dynamics simulation of thermal transport at a nanometer scale constriction in silicon
http://aip.metastore.ingenta.com/content/aip/journal/jap/101/7/10.1063/1.2715488
10.1063/1.2715488
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