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Thermal conductivity and thermal boundary resistance of nanostructures.

Termentzidis K, Parasuraman J, Da Cruz CA, Merabia S, Angelescu D, Marty F, Bourouina T, Kleber X, Chantrenne P, Basset P - Nanoscale Res Lett (2011)

Bottom Line: The influence of the interfacial roughness on the thermal conductivity of semiconductor/semiconductor superlattices was studied by equilibrium and non-equilibrium molecular dynamics and on the Kapitza resistance of superlattice's interfaces by equilibrium molecular dynamics.Physical explanations are provided for rationalizing the simulation results.PACS: 68.65.Cd, 66.70.Df, 81.16.-c, 65.80.-g, 31.12.xv.

View Article: PubMed Central - HTML - PubMed

Affiliation: INSA Lyon, CETHIL UMR5008, F-69621 Villeurbanne, France. konstantinos.termentzidis@gmail.com.

ABSTRACT
: We present a fabrication process of low-cost superlattices and simulations related with the heat dissipation on them. The influence of the interfacial roughness on the thermal conductivity of semiconductor/semiconductor superlattices was studied by equilibrium and non-equilibrium molecular dynamics and on the Kapitza resistance of superlattice's interfaces by equilibrium molecular dynamics. The non-equilibrium method was the tool used for the prediction of the Kapitza resistance for a binary semiconductor/metal system. Physical explanations are provided for rationalizing the simulation results. PACS: 68.65.Cd, 66.70.Df, 81.16.-c, 65.80.-g, 31.12.xv.

No MeSH data available.


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Linear thermal expansion for Ag using 1NN MEAM and 2NN MEAM potentials.
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Figure 7: Linear thermal expansion for Ag using 1NN MEAM and 2NN MEAM potentials.

Mentions: To compare the anharmonic properties of Ag, the equilibrium lattice parameter is simulated for different temperatures using the 1NN MEAM, and 2NN MEAM potentials. This is modelled with an fcc slab consisting of 108 atoms of silver with periodic boundary conditions in all the directions. Initially, the temperature of the crystal was 0 K. For each temperature the simulations are performed with a 20 ps constant-pressure simulation (NPT) during which the volume of the box occupied by the atoms for each temperature is stored. The mean value of the volumes of the equilibrated energy is used to calculate the linear expansion coefficient. For each constant temperature, the volume of the simulation box is divided by the volume at 0 K. This ratio is directly proportional to the expansion coefficient. The expansion coefficients of Ag, obtained for the two potentials are compared to the experimental values [30] in Figure 7. The uncertainties on the linear expansion coefficient variation are less than 5% compared with the experimental values.


Thermal conductivity and thermal boundary resistance of nanostructures.

Termentzidis K, Parasuraman J, Da Cruz CA, Merabia S, Angelescu D, Marty F, Bourouina T, Kleber X, Chantrenne P, Basset P - Nanoscale Res Lett (2011)

Linear thermal expansion for Ag using 1NN MEAM and 2NN MEAM potentials.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211353&req=5

Figure 7: Linear thermal expansion for Ag using 1NN MEAM and 2NN MEAM potentials.
Mentions: To compare the anharmonic properties of Ag, the equilibrium lattice parameter is simulated for different temperatures using the 1NN MEAM, and 2NN MEAM potentials. This is modelled with an fcc slab consisting of 108 atoms of silver with periodic boundary conditions in all the directions. Initially, the temperature of the crystal was 0 K. For each temperature the simulations are performed with a 20 ps constant-pressure simulation (NPT) during which the volume of the box occupied by the atoms for each temperature is stored. The mean value of the volumes of the equilibrated energy is used to calculate the linear expansion coefficient. For each constant temperature, the volume of the simulation box is divided by the volume at 0 K. This ratio is directly proportional to the expansion coefficient. The expansion coefficients of Ag, obtained for the two potentials are compared to the experimental values [30] in Figure 7. The uncertainties on the linear expansion coefficient variation are less than 5% compared with the experimental values.

Bottom Line: The influence of the interfacial roughness on the thermal conductivity of semiconductor/semiconductor superlattices was studied by equilibrium and non-equilibrium molecular dynamics and on the Kapitza resistance of superlattice's interfaces by equilibrium molecular dynamics.Physical explanations are provided for rationalizing the simulation results.PACS: 68.65.Cd, 66.70.Df, 81.16.-c, 65.80.-g, 31.12.xv.

View Article: PubMed Central - HTML - PubMed

Affiliation: INSA Lyon, CETHIL UMR5008, F-69621 Villeurbanne, France. konstantinos.termentzidis@gmail.com.

ABSTRACT
: We present a fabrication process of low-cost superlattices and simulations related with the heat dissipation on them. The influence of the interfacial roughness on the thermal conductivity of semiconductor/semiconductor superlattices was studied by equilibrium and non-equilibrium molecular dynamics and on the Kapitza resistance of superlattice's interfaces by equilibrium molecular dynamics. The non-equilibrium method was the tool used for the prediction of the Kapitza resistance for a binary semiconductor/metal system. Physical explanations are provided for rationalizing the simulation results. PACS: 68.65.Cd, 66.70.Df, 81.16.-c, 65.80.-g, 31.12.xv.

No MeSH data available.


Related in: MedlinePlus