Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites

S. Namilae; B. Radhakrishnan; G. B. Sarma

Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites

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

Abstract

Nano-composites with amorphous carbon matrix reinforced by hard crystalline nano-particles are fast developing as next generation super-tough and wear resistant coatings. The frictional wear and toughness properties of these composites are determined by the properties of the interface between crystalline-and amorphous phases. In this paper we use molecular dynamics and statics simulations to study the interfacial energetics, sliding and friction behavior of diamond - and amorphous carbon interfaces. It is found that the orientation of crystalline phase has minor effect on sliding behavior. Sliding behavior is affected by two mechanisms: (a) bond breaking and reattaching at the interface, and (b) deformation of amorphous carbon in the region surrounding the interface. It is found that the deformation away from the interface reduces the resistance to sliding. In structures with higher SP3 content, bond breaking at the interface dominates and there is much lesser deformation in the amorphous phase.

Original language	English
Title of host publication	2007 Nanomaterials
Subtitle of host publication	Fabrication, Properties and Applications - Proceedings of Symposium held during the 2007 TMS Annual Meeting
Pages	73-86
Number of pages	14
State	Published - 2007
Event	136th TMS Annual Meeting, 2007 - Orlando, FL, United States Duration: Feb 25 2007 → Mar 1 2007

Publication series

Name	TMS Annual Meeting

Conference

Conference	136th TMS Annual Meeting, 2007
Country/Territory	United States
City	Orlando, FL
Period	02/25/07 → 03/1/07

Funding

Authors acknowledge the financial support from Computational Materials Science Network sponsored by Basic Energy Sciences, Department of Energy. The authors would like to thank Drs. Don Nicholson and Phani Nukala for a critical review of the manuscript. Part of the work was performed using engineering research computing cluster at Florida State University.

Keywords

Amorphous carbon
Molecular dynamics
Sliding

Cite this

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title = "Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites",

abstract = "Nano-composites with amorphous carbon matrix reinforced by hard crystalline nano-particles are fast developing as next generation super-tough and wear resistant coatings. The frictional wear and toughness properties of these composites are determined by the properties of the interface between crystalline-and amorphous phases. In this paper we use molecular dynamics and statics simulations to study the interfacial energetics, sliding and friction behavior of diamond - and amorphous carbon interfaces. It is found that the orientation of crystalline phase has minor effect on sliding behavior. Sliding behavior is affected by two mechanisms: (a) bond breaking and reattaching at the interface, and (b) deformation of amorphous carbon in the region surrounding the interface. It is found that the deformation away from the interface reduces the resistance to sliding. In structures with higher SP3 content, bond breaking at the interface dominates and there is much lesser deformation in the amorphous phase.",

keywords = "Amorphous carbon, Molecular dynamics, Sliding",

author = "S. Namilae and B. Radhakrishnan and Sarma, \{G. B.\}",

year = "2007",

language = "English",

isbn = "9780873396912",

series = "TMS Annual Meeting",

pages = "73--86",

booktitle = "2007 Nanomaterials",

note = "136th TMS Annual Meeting, 2007 ; Conference date: 25-02-2007 Through 01-03-2007",

}

Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites. / Namilae, S.; Radhakrishnan, B.; Sarma, G. B.
2007 Nanomaterials: Fabrication, Properties and Applications - Proceedings of Symposium held during the 2007 TMS Annual Meeting. 2007. p. 73-86 (TMS Annual Meeting).

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

TY - GEN

T1 - Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites

AU - Namilae, S.

AU - Radhakrishnan, B.

AU - Sarma, G. B.

PY - 2007

Y1 - 2007

N2 - Nano-composites with amorphous carbon matrix reinforced by hard crystalline nano-particles are fast developing as next generation super-tough and wear resistant coatings. The frictional wear and toughness properties of these composites are determined by the properties of the interface between crystalline-and amorphous phases. In this paper we use molecular dynamics and statics simulations to study the interfacial energetics, sliding and friction behavior of diamond - and amorphous carbon interfaces. It is found that the orientation of crystalline phase has minor effect on sliding behavior. Sliding behavior is affected by two mechanisms: (a) bond breaking and reattaching at the interface, and (b) deformation of amorphous carbon in the region surrounding the interface. It is found that the deformation away from the interface reduces the resistance to sliding. In structures with higher SP3 content, bond breaking at the interface dominates and there is much lesser deformation in the amorphous phase.

AB - Nano-composites with amorphous carbon matrix reinforced by hard crystalline nano-particles are fast developing as next generation super-tough and wear resistant coatings. The frictional wear and toughness properties of these composites are determined by the properties of the interface between crystalline-and amorphous phases. In this paper we use molecular dynamics and statics simulations to study the interfacial energetics, sliding and friction behavior of diamond - and amorphous carbon interfaces. It is found that the orientation of crystalline phase has minor effect on sliding behavior. Sliding behavior is affected by two mechanisms: (a) bond breaking and reattaching at the interface, and (b) deformation of amorphous carbon in the region surrounding the interface. It is found that the deformation away from the interface reduces the resistance to sliding. In structures with higher SP3 content, bond breaking at the interface dominates and there is much lesser deformation in the amorphous phase.

KW - Amorphous carbon

KW - Molecular dynamics

KW - Sliding

UR - https://www.scopus.com/pages/publications/40749129191

M3 - Conference contribution

AN - SCOPUS:40749129191

SN - 9780873396912

T3 - TMS Annual Meeting

SP - 73

EP - 86

BT - 2007 Nanomaterials

T2 - 136th TMS Annual Meeting, 2007

Y2 - 25 February 2007 through 1 March 2007

ER -

Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites

Abstract

Publication series

Conference

Funding

Keywords

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