2024-03-28T10:08:44Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1350852021-10-29T07:20:25Zcom_10261_46com_10261_3com_10261_10252col_10261_299col_10261_10253
DIGITAL.CSIC
author
Rurali, Riccardo
author
Colombo, Luciano
author
Cartoixà, Xavier
author
Wilhelmsen, Øivind
author
Trinh, Thuat T.
author
Bedeaux, Dick
author
Kjelstrup, Signe
funder
Ministerio de Economía y Competitividad (España)
funder
Generalitat de Catalunya
funder
European Commission
funder
Research Council of Norway
funder
Norwegian University of Science and Technology
2016-07-27T11:34:20Z
2016-07-27T11:34:20Z
2016-05-28
Physical Chemistry Chemical Physics 18(20): 13741-13745 (2016)
1463-9076
http://hdl.handle.net/10261/135085
10.1039/C6CP01872F
http://dx.doi.org/10.13039/501100003329http://dx.doi.org/10.13039/501100002809http://dx.doi.org/10.13039/501100000780
We perform computational experiments using nonequilibrium molecular dynamics simulations, showing that the interface between two solid materials can be described as an autonomous thermodynamic system. We verify the local equilibrium and give support to the Gibbs description of the interface also away from the global equilibrium. In doing so, we reconcile the common formulation of the thermal boundary resistance as the ratio between the temperature discontinuity at the interface and the heat flux with a more rigorous derivation from nonequilibrium thermodynamics. We also show that thermal boundary resistance of a junction between two pure solid materials can be regarded as an interface property, depending solely on the interface temperature, as implicitly assumed in some widely used continuum models, such as the acoustic mismatch model. Thermal rectification can be understood on the basis of different interface temperatures for the two flow directions.
eng
openAccess
Molecular-dynamics
Local equilibrium
Rectification
Nanowires
Silicon
Heat transport through a solid–solid junction: the interface as an autonomous thermodynamic system
artículo
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URL
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File
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8c6addc10d32846753b435219e3cac0f
1997917
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Rurali_PCCP_editorial.pdf