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Mechanical characterization of nanoindented graphene via molecular dynamics simulations.

Fang TH, Wang TH, Yang JC, Hsiao YJ - Nanoscale Res Lett (2011)

Bottom Line: The results show that the load, elastic and plastic energies, and relaxation force increased with increasing indentation depth and velocity.Resistance to deformation decreased at higher temperature.Strong adhesion caused topological defects and vacancies during the unloading process.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien Kung Rd,, Kaohsiung 807, Taiwan. fang.tehua@msa.hinet.net.

ABSTRACT
The mechanical behavior of graphene under various indentation depths, velocities, and temperatures is studied using molecular dynamics analysis. The results show that the load, elastic and plastic energies, and relaxation force increased with increasing indentation depth and velocity. Nanoindentation induced pile ups and corrugations of the graphene. Resistance to deformation decreased at higher temperature. Strong adhesion caused topological defects and vacancies during the unloading process.

No MeSH data available.


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Physical model of graphene substrate and indenter tip.
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Figure 1: Physical model of graphene substrate and indenter tip.

Mentions: Figure 1 shows the MD model of a freestanding honeycomb graphene sheet and a diamond indenter tip. The graphene substrate consists of 10,032 carbon atoms over an area of 15.874 × 15.933 nm. In the model, three layers of carbon atoms are fixed using a bridge-type support and six carbon lateral layers of thermostat atoms are set as thermal layers. The other carbon atoms are Newtonian atoms. The hemispherical diamond tip has 344 carbon atoms and is treated as a rigid body. The diamond indenter is 1 nm above the graphene surface; it approaches the graphene surface at a constant velocity.


Mechanical characterization of nanoindented graphene via molecular dynamics simulations.

Fang TH, Wang TH, Yang JC, Hsiao YJ - Nanoscale Res Lett (2011)

Physical model of graphene substrate and indenter tip.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211995&req=5

Figure 1: Physical model of graphene substrate and indenter tip.
Mentions: Figure 1 shows the MD model of a freestanding honeycomb graphene sheet and a diamond indenter tip. The graphene substrate consists of 10,032 carbon atoms over an area of 15.874 × 15.933 nm. In the model, three layers of carbon atoms are fixed using a bridge-type support and six carbon lateral layers of thermostat atoms are set as thermal layers. The other carbon atoms are Newtonian atoms. The hemispherical diamond tip has 344 carbon atoms and is treated as a rigid body. The diamond indenter is 1 nm above the graphene surface; it approaches the graphene surface at a constant velocity.

Bottom Line: The results show that the load, elastic and plastic energies, and relaxation force increased with increasing indentation depth and velocity.Resistance to deformation decreased at higher temperature.Strong adhesion caused topological defects and vacancies during the unloading process.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien Kung Rd,, Kaohsiung 807, Taiwan. fang.tehua@msa.hinet.net.

ABSTRACT
The mechanical behavior of graphene under various indentation depths, velocities, and temperatures is studied using molecular dynamics analysis. The results show that the load, elastic and plastic energies, and relaxation force increased with increasing indentation depth and velocity. Nanoindentation induced pile ups and corrugations of the graphene. Resistance to deformation decreased at higher temperature. Strong adhesion caused topological defects and vacancies during the unloading process.

No MeSH data available.


Related in: MedlinePlus