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17 p, 2.0 MB Thermal boundary resistance in semiconductors by non-equilibrium thermodynamics / Dettori, Riccardo (University of Cagliari. Department of Physics) ; Melis, Claudio (University of Cagliari. Department of Physics) ; Cartoixà Soler, Xavier (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica) ; Rurali, Riccardo (Institut de Ciència de Materials de Barcelona) ; Colombo, Luciano (Institut Català de Nanociència i Nanotecnologia)
We critically address the problem of predicting the thermal boundary resistance at the interface between two semiconductors by atomistic simulations. After reviewing the available models, lattice dynamics calculations and molecular dynamics simulation protocols, we reformulate this problem in the language of non-equilibrium thermodynamics, providing an elegant, robust and valuable theoretical framework for the direct calculation of the thermal boundary resistance through molecular dynamics simulations. [...]
2016 - 10.1080/23746149.2016.1175317
Advances in Physics: X, Vol. 1, Issue 2 (May 2016) , p. 246-261  

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