Atomistic simulations of interfacial sliding in amorphous carbon nanocomposites

S. Namilae, B. Radhakrishnan, G. B. Sarma

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-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 languageEnglish
Title of host publication2007 Nanomaterials
Subtitle of host publicationFabrication, Properties and Applications - Proceedings of Symposium held during the 2007 TMS Annual Meeting
Pages73-86
Number of pages14
StatePublished - 2007
Event136th TMS Annual Meeting, 2007 - Orlando, FL, United States
Duration: Feb 25 2007Mar 1 2007

Publication series

NameTMS Annual Meeting

Conference

Conference136th TMS Annual Meeting, 2007
Country/TerritoryUnited States
CityOrlando, FL
Period02/25/0703/1/07

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

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