Abstract
The torsional characteristics of single walled carbon nanotube (SWCNT) with water interactions are studied in this work using molecular dynamics simulation method. The torsional properties of carbon nanotubes (CNTs) in a hydrodynamic environment such as water are critical for its key role in determining the lifetime and stability of CNT based nano-fluidic devices. The effect of chirality, defects and the density of water encapsulation is studied by subjecting the SWCNT to torsion. The findings show that the torsional strength of SWCNT decreases due to interaction of water molecules and presence of defects in the SWCNT. Additionally, for the case of water molecules encapsulated inside SWCNT, the torsional response depends on the density of packing of water molecules. Our findings and conclusions obtained from this paper is expected to further compliment the potential applications of CNTs as promising candidates for applications in nano-biological and nano-fluidic devices.
Highlights
Research in carbon nanotubes (CNTs) has gained enormous interest in nanotechnology and materials science due to its remarkable physical and mechanical properties [1,2]
The elastic properties of a free form single walled carbon nanotube (SWCNT) under torsional loading is discussed
We note that the nature of the curve deviates markedly from its linear behavior. This change in curve is caused due to the elastic to plastic transition of the SWCNT under torsion, which is in good agreement with results reported in earlier research [12]
Summary
Research in carbon nanotubes (CNTs) has gained enormous interest in nanotechnology and materials science due to its remarkable physical and mechanical properties [1,2]. It can be noted from this figure that the maximum torque decreases while the torsional angle increases with the aspect ratio of the SWCNT, which is similar to results reported previously Ref.
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