Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures

X. J. Liu; Y. W. Yang; J. P. Yang

Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures

X. J. Liu^*, Y. W. Yang, J. P. Yang

^*Corresponding author for this work

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

Abstract

Nonequilibrium molecular dynamics (NEMD) simulation is performed to calculate the thermal conductivity of Si nanostructres. The effectiveness of the Tersoff potential for NEMD simulation of heat transfer is evaluated, and the results display its good performance on heat transfer simulation. Furthermore, the finite size effect related to the system length on the thermal conductivity is studied and the remarkable system size dependence of the thermal conductivity of Si nanostructures is confirmed. Finally, the values of thermal conductivity and mean-free path (MFP) of the infinite bulk Si system are extrapolated based on the simulation results.

Original language	English
Title of host publication	2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
Pages	473-476
Number of pages	4
Publication status	Published - 2007
Externally published	Yes
Event	2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007 - Santa Clara, CA, United States Duration: May 20 2007 → May 24 2007

Publication series

Name	2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
Volume	1

Conference

Conference	2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007
Country/Territory	United States
City	Santa Clara, CA
Period	5/20/07 → 5/24/07

ASJC Scopus Subject Areas

Mechanical Engineering

Keywords

Molecular dynamics simulation
Nanostructure
Thermal conductivity

Cite this

Liu, X. J., Yang, Y. W., & Yang, J. P. (2007). Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures. In 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings (pp. 473-476). (2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings; Vol. 1).

@inproceedings{277830bc50714c6992570da476366cf1,

title = "Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures",

abstract = "Nonequilibrium molecular dynamics (NEMD) simulation is performed to calculate the thermal conductivity of Si nanostructres. The effectiveness of the Tersoff potential for NEMD simulation of heat transfer is evaluated, and the results display its good performance on heat transfer simulation. Furthermore, the finite size effect related to the system length on the thermal conductivity is studied and the remarkable system size dependence of the thermal conductivity of Si nanostructures is confirmed. Finally, the values of thermal conductivity and mean-free path (MFP) of the infinite bulk Si system are extrapolated based on the simulation results.",

keywords = "Molecular dynamics simulation, Nanostructure, Thermal conductivity",

author = "Liu, {X. J.} and Yang, {Y. W.} and Yang, {J. P.}",

year = "2007",

language = "English",

isbn = "1420063421",

series = "2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings",

pages = "473--476",

booktitle = "2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings",

note = "2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007 ; Conference date: 20-05-2007 Through 24-05-2007",

}

Liu, XJ, Yang, YW & Yang, JP 2007, Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures. in 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings. 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings, vol. 1, pp. 473-476, 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Santa Clara, CA, United States, 5/20/07.

Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures. / Liu, X. J.; Yang, Y. W.; Yang, J. P.
2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings. 2007. p. 473-476 (2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings; Vol. 1).

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

TY - GEN

T1 - Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures

AU - Liu, X. J.

AU - Yang, Y. W.

AU - Yang, J. P.

PY - 2007

Y1 - 2007

N2 - Nonequilibrium molecular dynamics (NEMD) simulation is performed to calculate the thermal conductivity of Si nanostructres. The effectiveness of the Tersoff potential for NEMD simulation of heat transfer is evaluated, and the results display its good performance on heat transfer simulation. Furthermore, the finite size effect related to the system length on the thermal conductivity is studied and the remarkable system size dependence of the thermal conductivity of Si nanostructures is confirmed. Finally, the values of thermal conductivity and mean-free path (MFP) of the infinite bulk Si system are extrapolated based on the simulation results.

AB - Nonequilibrium molecular dynamics (NEMD) simulation is performed to calculate the thermal conductivity of Si nanostructres. The effectiveness of the Tersoff potential for NEMD simulation of heat transfer is evaluated, and the results display its good performance on heat transfer simulation. Furthermore, the finite size effect related to the system length on the thermal conductivity is studied and the remarkable system size dependence of the thermal conductivity of Si nanostructures is confirmed. Finally, the values of thermal conductivity and mean-free path (MFP) of the infinite bulk Si system are extrapolated based on the simulation results.

KW - Molecular dynamics simulation

KW - Nanostructure

KW - Thermal conductivity

UR - http://www.scopus.com/inward/record.url?scp=34548101375&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34548101375&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:34548101375

SN - 1420063421

SN - 9781420063424

SN - 1420061828

SN - 9781420061826

T3 - 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings

SP - 473

EP - 476

BT - 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings

T2 - 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007

Y2 - 20 May 2007 through 24 May 2007

ER -

Nonequilibrium molecular dynamics simulation for size effect on thermal conductivity of Si nanostructures

Abstract

Publication series

Conference

ASJC Scopus Subject Areas

Keywords

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