Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces

Daniel J. Rogers; Jianmin Qu; Matthew Yao

doi:10.1115/InterPACK2009-89096

Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces

Daniel J. Rogers, Jianmin Qu, Matthew Yao

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

3 Scopus citations

Abstract

The interfacial thermal resistance (ITR) between a carbon nanotube (CNT) and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation (NEMD). The theoretical phonon transmission also is calculated using a simplified form of the diffuse mismatch model (DMM) with direct simulation of the phonon density of states (DOS) under quasi-harmonic approximation. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. At 300K, the thermal conductance of CNT-substrate interfaces is ≃1500 W/mm²K for diamond carbon, ≃500 W/mm²K for silicon, and ≃250 W/mm²K for copper.

Original language	English
Title of host publication	Proceedings of the ASME InterPack Conference 2009, IPACK2009
Pages	55-61
Number of pages	7
DOIs	https://doi.org/10.1115/InterPACK2009-89096
State	Published - 2010
Event	2009 ASME InterPack Conference, IPACK2009 - San Francisco, CA, United States Duration: 19 Jul 2009 → 23 Jul 2009

Publication series

Name	Proceedings of the ASME InterPack Conference 2009, IPACK2009
Volume	2

Conference

Conference	2009 ASME InterPack Conference, IPACK2009
Country/Territory	United States
City	San Francisco, CA
Period	19/07/09 → 23/07/09

Keywords

Carbon nanotube
Diffuse mismatch model
Interfacial thermal resistance
Molecular dynamics
Phonon dispersion

Access to Document

10.1115/InterPACK2009-89096

Cite this

@inproceedings{758abb3ee77c47fd9c74b2da443b1278,

title = "Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces",

abstract = "The interfacial thermal resistance (ITR) between a carbon nanotube (CNT) and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation (NEMD). The theoretical phonon transmission also is calculated using a simplified form of the diffuse mismatch model (DMM) with direct simulation of the phonon density of states (DOS) under quasi-harmonic approximation. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. At 300K, the thermal conductance of CNT-substrate interfaces is ≃1500 W/mm2K for diamond carbon, ≃500 W/mm2K for silicon, and ≃250 W/mm2K for copper.",

keywords = "Carbon nanotube, Diffuse mismatch model, Interfacial thermal resistance, Molecular dynamics, Phonon dispersion",

author = "Rogers, {Daniel J.} and Jianmin Qu and Matthew Yao",

year = "2010",

doi = "10.1115/InterPACK2009-89096",

language = "English",

isbn = "9780791843604",

series = "Proceedings of the ASME InterPack Conference 2009, IPACK2009",

pages = "55--61",

booktitle = "Proceedings of the ASME InterPack Conference 2009, IPACK2009",

note = "2009 ASME InterPack Conference, IPACK2009 ; Conference date: 19-07-2009 Through 23-07-2009",

}

Rogers, DJ, Qu, J & Yao, M 2010, Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces. in Proceedings of the ASME InterPack Conference 2009, IPACK2009. Proceedings of the ASME InterPack Conference 2009, IPACK2009, vol. 2, pp. 55-61, 2009 ASME InterPack Conference, IPACK2009, San Francisco, CA, United States, 19/07/09. https://doi.org/10.1115/InterPACK2009-89096

Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces. / Rogers, Daniel J.; Qu, Jianmin; Yao, Matthew.
Proceedings of the ASME InterPack Conference 2009, IPACK2009. 2010. p. 55-61 (Proceedings of the ASME InterPack Conference 2009, IPACK2009; Vol. 2).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces

AU - Rogers, Daniel J.

AU - Qu, Jianmin

AU - Yao, Matthew

PY - 2010

Y1 - 2010

N2 - The interfacial thermal resistance (ITR) between a carbon nanotube (CNT) and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation (NEMD). The theoretical phonon transmission also is calculated using a simplified form of the diffuse mismatch model (DMM) with direct simulation of the phonon density of states (DOS) under quasi-harmonic approximation. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. At 300K, the thermal conductance of CNT-substrate interfaces is ≃1500 W/mm2K for diamond carbon, ≃500 W/mm2K for silicon, and ≃250 W/mm2K for copper.

AB - The interfacial thermal resistance (ITR) between a carbon nanotube (CNT) and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation (NEMD). The theoretical phonon transmission also is calculated using a simplified form of the diffuse mismatch model (DMM) with direct simulation of the phonon density of states (DOS) under quasi-harmonic approximation. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. At 300K, the thermal conductance of CNT-substrate interfaces is ≃1500 W/mm2K for diamond carbon, ≃500 W/mm2K for silicon, and ≃250 W/mm2K for copper.

KW - Carbon nanotube

KW - Diffuse mismatch model

KW - Interfacial thermal resistance

KW - Molecular dynamics

KW - Phonon dispersion

UR - http://www.scopus.com/inward/record.url?scp=77953926945&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77953926945&partnerID=8YFLogxK

U2 - 10.1115/InterPACK2009-89096

DO - 10.1115/InterPACK2009-89096

M3 - Conference contribution

AN - SCOPUS:77953926945

SN - 9780791843604

T3 - Proceedings of the ASME InterPack Conference 2009, IPACK2009

SP - 55

EP - 61

BT - Proceedings of the ASME InterPack Conference 2009, IPACK2009

T2 - 2009 ASME InterPack Conference, IPACK2009

Y2 - 19 July 2009 through 23 July 2009

ER -

Molecular dynamics simulation of the thermal resistance of carbon nanotube - Substrate interfaces

Abstract

Publication series

Conference

Keywords

Access to Document

Other files and links

Fingerprint

Cite this