Damage Mechanics of Carbon Nano Tubes Under Uniaxial Tension

ASME 2009 InterPACK Conference, Volume 1 ◽

10.1115/interpack2009-89005 ◽

2009 ◽

Author(s):

Cemal Basaran ◽

Tarek Ragab

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Uniaxial Tension ◽

Tensile Strain ◽

Damage Mechanics ◽

Strain Rates ◽

Single Walled Carbon Nanotube ◽

Virial Stress ◽

Carbon Nano Tubes ◽

Dynamics Simulations

A procedure is proposed for computing the stresses in an armchair Single-Walled Carbon NanoTube (SWCNT) under uniaxial tension. Computation is based on molecular dynamics simulations and the virial stress theorem. The proposed approach is compared with other methods used in the literature for calculating the stresses in CNTs. The loading is applied under two different boundary conditions and different strain rates and the results are compared. It is shown that the method commonly used in the literature for calculating the stresses in CNTs under estimates the ultimate strength by around 35%. It is shown that the value of the displacement increment used to apply the tensile strain is crucial.

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Pristine Study of Axial Tensile Strain Energy Curve for Single-Walled Carbon Nanotube using Molecular Dynamics Simulation

Indian Journal of Science and Technology ◽

10.17485/ijst/2016/v9i28/97775 ◽

2016 ◽

Vol 9 (28) ◽

Author(s):

Ai-Ping Tan ◽

Su-Hoe Yeak ◽

Riadh Sahnoun

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Strain Energy ◽

Tensile Strain ◽

Dynamics Simulation ◽

Energy Curve ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Axial Tensile

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Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles

Journal of Molecular Modeling ◽

10.1007/s00894-008-0275-2 ◽

2008 ◽

Vol 14 (5) ◽

pp. 343-351 ◽

Cited By ~ 12

Author(s):

M. Todd Knippenberg ◽

Steven J. Stuart ◽

Hansong Cheng

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Hydrogen Adsorption ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Nanotube Bundles ◽

Dynamics Simulations

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Rapid Growth of a Single-Walled Carbon Nanotube on an Iron Cluster: Density-Functional Tight-Binding Molecular Dynamics Simulations

ACS Nano ◽

10.1021/nn8001906 ◽

2008 ◽

Vol 2 (7) ◽

pp. 1437-1444 ◽

Cited By ~ 86

Author(s):

Yasuhito Ohta ◽

Yoshiko Okamoto ◽

Stephan Irle ◽

Keiji Morokuma

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Rapid Growth ◽

Density Functional ◽

Tight Binding ◽

Iron Cluster ◽

Single Walled Carbon Nanotube ◽

Cluster Density ◽

Dynamics Simulations

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Molecular dynamics simulations of orientation induced interfacial enhancement between single walled carbon nanotube and aromatic polymers chains

Composites Part A Applied Science and Manufacturing ◽

10.1016/j.compositesa.2015.02.027 ◽

2015 ◽

Vol 73 ◽

pp. 155-165 ◽

Cited By ~ 34

Author(s):

Bowen Yu ◽

Sirui Fu ◽

Zhiqiang Wu ◽

Hongwei Bai ◽

Nanying Ning ◽

...

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Aromatic Polymers ◽

Dynamics Simulations

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Single-walled carbon nanotube growth from a cap fragment on an iron nanoparticle: Density-functional tight-binding molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.79.195415 ◽

2009 ◽

Vol 79 (19) ◽

Cited By ~ 26

Author(s):

Yasuhito Ohta ◽

Yoshiko Okamoto ◽

Stephan Irle ◽

Keiji Morokuma

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Density Functional ◽

Tight Binding ◽

Single Walled Carbon Nanotube ◽

Iron Nanoparticle ◽

Dynamics Simulations ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Molecular Dynamics Simulations of Water‐Mediated Cholesterol Capture within an Open‐Ended Single‐Walled Carbon Nanotube

ChemPhysChem ◽

10.1002/cphc.201800880 ◽

2018 ◽

Author(s):

Hrushikesh M. Gade ◽

Piyush P. Wanjari

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Dynamics Simulations

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Molecular dynamics simulations of hydrogen adsorption/desorption by palladium decorated single-walled carbon nanotube bundle

Molecular Physics ◽

10.1080/00268976.2011.648960 ◽

2012 ◽

Vol 110 (6) ◽

pp. 361-368 ◽

Cited By ~ 5

Author(s):

Seifollah Jalili ◽

Arezou Jaberi ◽

Mohammad Ghasem Mahjani ◽

Majid Jafarian

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Hydrogen Adsorption ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Adsorption Desorption ◽

Nanotube Bundle

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Temperature Dependence of Iron-Catalyzed Continued Single-Walled Carbon Nanotube Growth Rates: Density Functional Tight-Binding Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp808493f ◽

2008 ◽

Vol 113 (1) ◽

pp. 159-169 ◽

Cited By ~ 37

Author(s):

Yasuhito Ohta ◽

Yoshiko Okamoto ◽

Stephan Irle ◽

Keiji Morokuma

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Temperature Dependence ◽

Growth Rates ◽

Density Functional ◽

Tight Binding ◽

Single Walled Carbon Nanotube ◽

Dynamics Simulations ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Molecular dynamics simulations of phase transitions in argon-filled single-walled carbon nanotube bundles under high pressure

Physical Review B ◽

10.1103/physrevb.79.155425 ◽

2009 ◽

Vol 79 (15) ◽

Cited By ~ 17

Author(s):

K. V. Shanavas ◽

Surinder M. Sharma

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Phase Transitions ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Nanotube Bundles ◽

Dynamics Simulations

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Multiscale damage analysis of carbon nanotube nanocomposite using a continuum damage mechanics approach

Journal of Composite Materials ◽

10.1177/0021998316654304 ◽

2016 ◽

Vol 51 (6) ◽

pp. 847-858 ◽

Cited By ~ 5

Author(s):

Ashwin Rai ◽

Nithya Subramanian ◽

Bonsung Koo ◽

Aditi Chattopadhyay

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Damage Mechanics ◽

Damage Model ◽

Continuum Damage Mechanics ◽

Unit Cell ◽

Continuum Damage ◽

Dynamics Simulations ◽

The Continuum

A multiscale-modeling framework is presented to understand damage and failure response in carbon nanotube reinforced nanocomposites. A damage model is developed using the framework of continuum damage mechanics with a physical damage evolution equation inspired by molecular dynamics simulations. This damage formulation is applied to randomly dispersed carbon nanotube reinforced nanocomposite unit cells with periodic boundary conditions to investigate preferred sites and the tendency towards damage. The continuum model is seen as successfully capturing much of the unique nonlinear trends observed in the molecular dynamics simulations in a volume 1000 times greater than the molecular dynamics unit cell. Additionally, application of the damage model to the continuum unit cell revealed insights into the failure of carbon nanotube reinforced nanocomposites at the sub-microscale.

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