Investigation on CNT/alumina interface properties using molecular mechanics simulations

Sen Liu; Ning Hu; Go Yamamoto; Yindi Cai; Yajun Zhang; Yaolu Liu; Yuan Li; Toshiyuki Hashida; Hisao Fukunaga

doi:10.1016/j.carbon.2011.04.058

Investigation on CNT/alumina interface properties using molecular mechanics simulations

Sen Liu, Ning Hu, Go Yamamoto, Yindi Cai, Yajun Zhang, Yaolu Liu, Yuan Li, Toshiyuki Hashida, Hisao Fukunaga

Research output: Contribution to journal › Letter › peer-review

22 Citations (Scopus)

Abstract

The pull-out of a carbon nanotube (CNT) from an alumina (α-Al ₂O₃) matrix was investigated using molecular mechanics simulations to study the interfacial properties due to van der Waals and electrostatic Coulombic interactions. The pull-out force of the CNT was found to be proportional to its diameter, but independent of its length and alumina grain boundary type. A theory was proposed to predict the force for an arbitrary pull-out of a CNT from the alumina matrix using the outermost wall diameter of CNT.

Original language	English
Pages (from-to)	3701-3704
Number of pages	4
Journal	Carbon
Volume	49
Issue number	11
DOIs	https://doi.org/10.1016/j.carbon.2011.04.058
Publication status	Published - 2011 Sep

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)

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10.1016/j.carbon.2011.04.058

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title = "Investigation on CNT/alumina interface properties using molecular mechanics simulations",

abstract = "The pull-out of a carbon nanotube (CNT) from an alumina (α-Al 2O3) matrix was investigated using molecular mechanics simulations to study the interfacial properties due to van der Waals and electrostatic Coulombic interactions. The pull-out force of the CNT was found to be proportional to its diameter, but independent of its length and alumina grain boundary type. A theory was proposed to predict the force for an arbitrary pull-out of a CNT from the alumina matrix using the outermost wall diameter of CNT.",

author = "Sen Liu and Ning Hu and Go Yamamoto and Yindi Cai and Yajun Zhang and Yaolu Liu and Yuan Li and Toshiyuki Hashida and Hisao Fukunaga",

note = "Funding Information: This work is partly supported by two Grand-in-Aids for Scientific Research (Nos. 19360045 and 22360044 ) from the Japanese Ministry of Education, Culture, Sports, Science and Technology . The authors acknowledge Prof. C.B. Fan (Beijing Institute of Technology, China) for kindly providing the computational resources.",

year = "2011",

month = sep,

doi = "10.1016/j.carbon.2011.04.058",

language = "English",

volume = "49",

pages = "3701--3704",

journal = "Carbon",

issn = "0008-6223",

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TY - JOUR

T1 - Investigation on CNT/alumina interface properties using molecular mechanics simulations

AU - Liu, Sen

AU - Hu, Ning

AU - Yamamoto, Go

AU - Cai, Yindi

AU - Zhang, Yajun

AU - Liu, Yaolu

AU - Li, Yuan

AU - Hashida, Toshiyuki

AU - Fukunaga, Hisao

N1 - Funding Information: This work is partly supported by two Grand-in-Aids for Scientific Research (Nos. 19360045 and 22360044 ) from the Japanese Ministry of Education, Culture, Sports, Science and Technology . The authors acknowledge Prof. C.B. Fan (Beijing Institute of Technology, China) for kindly providing the computational resources.

PY - 2011/9

Y1 - 2011/9

N2 - The pull-out of a carbon nanotube (CNT) from an alumina (α-Al 2O3) matrix was investigated using molecular mechanics simulations to study the interfacial properties due to van der Waals and electrostatic Coulombic interactions. The pull-out force of the CNT was found to be proportional to its diameter, but independent of its length and alumina grain boundary type. A theory was proposed to predict the force for an arbitrary pull-out of a CNT from the alumina matrix using the outermost wall diameter of CNT.

AB - The pull-out of a carbon nanotube (CNT) from an alumina (α-Al 2O3) matrix was investigated using molecular mechanics simulations to study the interfacial properties due to van der Waals and electrostatic Coulombic interactions. The pull-out force of the CNT was found to be proportional to its diameter, but independent of its length and alumina grain boundary type. A theory was proposed to predict the force for an arbitrary pull-out of a CNT from the alumina matrix using the outermost wall diameter of CNT.

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DO - 10.1016/j.carbon.2011.04.058

M3 - Letter

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VL - 49

SP - 3701

EP - 3704

JO - Carbon

JF - Carbon

SN - 0008-6223

IS - 11

ER -

Investigation on CNT/alumina interface properties using molecular mechanics simulations

Abstract

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