Journal ArticleDOI
Two-temperature nonequilibrium molecular dynamics simulation of thermal transport across metal-nonmetal interfaces
Yan Wang,Xiulin Ruan,Ajit K. Roy +2 more
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TLDR
In this article, a two-temperature nonequilibrium molecular dynamics method for predicting interfacial thermal resistance across metal-nonmetal interfaces is proposed, which takes into account both the electron and lattice degrees of freedom in a single molecular dynamics simulation.Abstract:
We have used a two-temperature nonequilibrium molecular dynamics method for predicting interfacial thermal resistance across metal-nonmetal interfaces. This method is an extension of the conventional nonequilibrium molecular dynamics for the dielectric-dielectric interface, where a temperature bias is imposed and the heat current is derived. We have included the electron degree of freedom for the interfacial thermal transport problem by treating the electron-phonon coupling with the two-temperature model. The method is demonstrated on two model systems, that is, silicon-copper interface and carbon-nanotube--copper interface. Temperature nonequilibrium between electrons and phonons in the metal side is quantitatively predicted, and a temperature drop across the interface is observed. The results agree with experimental data better than those obtained from conventional nonequilibrium molecular dynamics simulations where only phonons are considered. Our approach is capable of taking into account both the electron and lattice degrees of freedom in a single molecular dynamics simulation and is a generally useful tool for modeling interfacial thermal transport across metal-nonmetal interfaces.read more
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A review of recent advances in thermophysical properties at the nanoscale: From solid state to colloids
Lin Qiu,Lin Qiu,Ning Zhu,Yanhui Feng,Efstathios E. Michaelides,Gaweł Żyła,Dengwei Jing,Xinxin Zhang,Pamela M. Norris,Christos N. Markides,Omid Mahian +10 more
TL;DR: In this paper, a review of recent advances in the measurement and modeling of thermophysical properties at the nanoscale (from the solid state to colloids) is presented, including thermal conductivity, dynamic viscosity, specific heat capacity, and density.
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A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces
Ashutosh Giri,Patrick E. Hopkins +1 more
TL;DR: The role of localized interfacial modes on the energy conversion processes occurring at interfaces is emphasized in this article, where the authors discuss the future directions and avenues of research that can further the knowledge of heat transfer across systems with broken symmetries.
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Thermal conductance of metal–diamond interfaces at high pressure
TL;DR: The results suggest that anharmonic conductance at metal-diamond interfaces is controlled by partial transmission processes, where a diamond phonon that inelastically scatters at the interface absorbs or emits a metal phonon.
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First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering
Yan Wang,Zexi Lu,Xiulin Ruan +2 more
TL;DR: In this article, the effect of phonon-electron (p-e) scattering on lattice thermal conductivity is investigated for Cu, Ag, Au, Al, Pt, and Ni.
Journal ArticleDOI
Interfacial thermal resistance: Past, present, and future
TL;DR: In this paper , the authors present a review of the progress in thermal management of solid-solid, solid-liquid, and solid-gas interfaces, and discuss how to tailor interfaces to minimize the resistance.
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