Advanced molecular structural mechanics model for carbon nanotubes incorporating the 2nd generation REBO potential

2019 ◽  
Vol 144 ◽  
pp. 103137 ◽  
Author(s):  
Oliver Eberhardt ◽  
Thomas Wallmersperger
Keyword(s):  
Carbon Nanotubes ◽  
Structural Mechanics ◽  
2Nd Generation ◽  
Mechanics Model ◽  
Rebo Potential

scholarly journals Influence of Boundary Conditions and Defects on the Buckling Behavior of SWCNTs via a Structural Mechanics Approach

2011 ◽  
Vol 2011 ◽  
pp. 1-6 ◽  
Author(s):  
Vali Parvaneh ◽  
Mahmoud Shariati ◽  
Hamid Torabi ◽  
Amir Masood Majd Sabeti
Keyword(s):  
Carbon Nanotubes ◽  
Boundary Conditions ◽  
Structural Mechanics ◽  
Vacancy Defect ◽  
Buckling Loads ◽  
Vacancy Defects ◽  
Various Boundary Conditions ◽  
Mechanics Model ◽  
Aspect Ratios ◽  
Buckling Behavior

The effects of boundary conditions and defects on the buckling behavior of SWCNTs are investigated using a structural mechanics model. Due to the application of carbon nanotubes in different fields such as NEMS, where they are subjected to different loading and boundary conditions, an investigation of buckling behavior of nanotubes with different boundary conditions is necessary. Critical buckling loads and the effects of vacancy and Stone-Wales defects were studied for zigzag and armchair nanotubes with various boundary conditions and aspect ratios (length/diameter). The comparison of our results with those of the buckling of shells with cutouts indicates that vacancy defects in carbon nanotubes can most likely be modeled as cutouts of the shells. Finally, a hybrid vacancy defect and Stone-Wales defect are also developed, and their effect on the critical buckling loads is studied.

scholarly journals A space structural mechanics model of silicene

2020 ◽  
Vol 234 (1-2) ◽  
pp. 3-10
Author(s):  
Mohsen Motamedi
Keyword(s):  
Natural Frequencies ◽  
Strain Curve ◽  
Structural Mechanics ◽  
Dynamics Simulation ◽  
Mode Shapes ◽  
Two Dimensional ◽  
Stress Strain Curve ◽  
Beam Elements ◽  
Mechanics Model ◽  
Good Agreement

The two-dimensional nanostructures such as graphene, silicene, germanene, and stanene have attracted a lot of attention in recent years. Many studies have been done on graphene, but other two-dimensional structures have not yet been studied extensively. In this work, a molecular dynamics simulation of silicene was done and stress–strain curve of silicene was obtained. Then, the mechanical properties of silicene were investigated using the proposed structural molecular mechanics method. First, using the relations governing the force field and the Lifson–Wershel potential function and structural mechanics relations, the coefficients for the BEAM elements was determined, and a structural mechanics model for silicene was proposed. Then, a silicene sheet with 65 Å × 65 Å was modeled, and Young’s modulus of silicene was obtained. In addition, the natural frequencies and mode shapes of silicene were calculated using finite element method. The results are in good agreement with reports by other papers.

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