Excluded Volume Approach for Ultrathin Carbon Nanotube Network Stabilization: A Mesoscopic Distinct Element Method Study

2017 ◽  
Vol 9 (15) ◽  
pp. 13611-13618 ◽  
Author(s):  
Yuezhou Wang ◽  
Grigorii Drozdov ◽  
Erik K. Hobbie ◽  
Traian Dumitrica
Keyword(s):  
Carbon Nanotube ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Excluded Volume ◽  
Carbon Nanotube Network ◽  
Element Method

scholarly journals Size-Independent Mechanical Response of Ultrathin Carbon Nanotube Films in Mesoscopic Distinct Element Method Simulations

2019 ◽  
Vol 86 (12) ◽  
Author(s):  
Igor Ostanin ◽  
Traian Dumitrică ◽  
Sebastian Eibl ◽  
Ulrich Rüde
Keyword(s):  
Carbon Nanotube ◽  
Load Transfer ◽  
Mechanical Response ◽  
Computational Study ◽  
Distinct Element ◽  
Small Strain ◽  
Distinct Element Method ◽  
Coarse Grained ◽  
Vector Model ◽  
Element Method

Abstract In this work, we present a computational study of the small strain mechanics of freestanding ultrathin carbon nanotube (CNT) films under in-plane loading. The numerical modeling of the mechanics of representatively large specimens with realistic micro- and nanostructure is presented. Our simulations utilize the scalable implementation of the mesoscopic distinct element method of the waLBerla multi-physics framework. Within our modeling approach, CNTs are represented as chains of interacting rigid segments. Neighboring segments in the chain are connected with elastic bonds, resolving tension, bending, shear, and torsional deformations. These bonds represent a covalent bonding within the CNT surface and utilize enhanced vector model (EVM) formalism. Segments of the neighboring CNTs interact with realistic coarse-grained anisotropic van der Waals potential, enabling a relative slip of CNTs in contact. The advanced simulation technique allowed us to gain useful insights on the behavior of CNT materials. It was established that the energy dissipation during CNT sliding leads to extended load transfer that conditions size-independent, material-like mechanical response of the weakly bonded assemblies of CNTs.

Rings and rackets from single-wall carbon nanotubes: manifestations of mesoscale mechanics

Soft Matter ◽  
2014 ◽  
Vol 10 (43) ◽  
pp. 8635-8640 ◽  
Author(s):  
Yuezhou Wang ◽  
Matthew R. Semler ◽  
Igor Ostanin ◽  
Erik K. Hobbie ◽  
Traian Dumitrică
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Single Wall Carbon Nanotubes ◽  
Single Walled Carbon Nanotube ◽  
Single Wall Carbon ◽  
Single Walled Carbon ◽  
Element Method

We combine distinct element method simulations with experiments to reveal size dependencies and hence elucidate the mesoscale mechanical origin of rings and rackets assembled from single-walled carbon nanotube ropes.

A distinct element method for large scale simulations of carbon nanotube assemblies

2013 ◽  
Vol 61 (3) ◽  
pp. 762-782 ◽  
Author(s):  
Igor Ostanin ◽  
Roberto Ballarini ◽  
David Potyondy ◽  
Traian Dumitrică
Keyword(s):  
Carbon Nanotube ◽  
Large Scale ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Large Scale Simulations ◽  
Element Method

scholarly journals Toward large scale modeling of carbon nanotube systems with the mesoscopic distinct element method

2018 ◽  
Vol 8 (3) ◽  
pp. 240-245 ◽  
Author(s):  
I. A. Ostanin ◽  
P. Zhilyaev ◽  
V. Petrov ◽  
T. Dumitrica ◽  
S. Eibl ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Large Scale ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Scale Modeling ◽  
Large Scale Modeling ◽  
Element Method

Distinct Element Method Modeling of Carbon Nanotube Bundles With Intertube Sliding and Dissipation

2014 ◽  
Vol 81 (6) ◽  
Author(s):  
Igor Ostanin ◽  
Roberto Ballarini ◽  
Traian Dumitrică
Keyword(s):  
Carbon Nanotube ◽  
Energy Dissipation ◽  
Mechanical Response ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Initial Stiffness ◽  
Nanotube Bundles ◽  
Simple Tension ◽  
Deformation Kinematics ◽  
Element Method

The recently developed distinct element method for mesoscale modeling of carbon nanotubes is extended to account for energy dissipation and then applied to characterize the constitutive behavior of crystalline carbon nanotube bundles subjected to simple tension and to simple shear loadings. It is shown that if these structures are sufficiently long and thick, then they become representative volume elements. The predicted initial stiffness and strength of the representative volumes are in agreement with reported experimental data. The simulations demonstrate that energy dissipation plays a central role in the mechanical response and deformation kinematics of carbon nanotube bundles.

Twisting Carbon Nanotube Ropes with the Mesoscopic Distinct Element Method: Geometry, Packing, and Nanomechanics

Langmuir ◽  
2015 ◽  
Vol 31 (45) ◽  
pp. 12323-12327 ◽  
Author(s):  
Yuezhou Wang ◽  
Igor Ostanin ◽  
Cristian Gaidău ◽  
Traian Dumitricǎ
Keyword(s):  
Carbon Nanotube ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Element Method

Toward Distinct Element Method Simulations of Carbon Nanotube Systems

2010 ◽  
Vol 1 (4) ◽  
Author(s):  
Tyler Anderson ◽  
Evgeniya Akatyeva ◽  
Ilia Nikiforov ◽  
David Potyondy ◽  
Roberto Ballarini ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Degrees Of Freedom ◽  
Distinct Element ◽  
Van Der Waals ◽  
Distinct Element Method ◽  
Coarse Grained ◽  
Unit Cells ◽  
Spherical Elements ◽  
A Chain ◽  
Element Method

We propose distinct element method modeling of carbon nanotube systems. The atomic-level description of an individual nanotube is coarse-grained into a chain of spherical elements that interact by parallel bonds located at their contacts. The spherical elements can lump multiple translational unit cells of the carbon nanotube and have both translational and rotational degrees of freedom. The discrete long ranged interaction between nanotubes is included in a van der Waals contact of nonmechanical nature that acts simultaneously with the parallel bonds. The created mesoscopic model is put into service by simulating a realistic carbon nanotube ring. The ring morphology arises from the energy balance stored in both parallel and van der Waals bonds.

scholarly journals Densification of single-walled carbon nanotube films: Mesoscopic distinct element method simulations and experimental validation

2020 ◽  
Vol 128 (18) ◽  
pp. 184701
Author(s):  
Grigorii Drozdov ◽  
Igor Ostanin ◽  
Hao Xu ◽  
Yuezhou Wang ◽  
Traian Dumitrică ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Experimental Validation ◽  
Distinct Element ◽  
Distinct Element Method ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Element Method ◽  
Nanotube Films
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