Continuum modeling of van der Waals interactions between carbon nanotube walls

2009 ◽  
Vol 94 (10) ◽  
pp. 101917 ◽  
Author(s):  
W. B. Lu ◽  
B. Liu ◽  
J. Wu ◽  
J. Xiao ◽  
K. C. Hwang ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Continuum Modeling

scholarly journals Mechanical Response of Carbon Nanotube Bundle to Lateral Compression

Computation ◽  
2020 ◽  
Vol 8 (2) ◽  
pp. 27 ◽  
Author(s):  
Dina U. Abdullina ◽  
Elena A. Korznikova ◽  
Volodymyr I. Dubinko ◽  
Denis V. Laptev ◽  
Alexey A. Kudreyko ◽  
...  
Keyword(s):  
Phase Transition ◽  
Carbon Nanotube ◽  
Order Phase Transition ◽  
Mechanical Response ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Structure Evolution ◽  
Biaxial Compression ◽  
Chain Model ◽  
Bending Rigidity

Structure evolution and mechanical response of the carbon nanotube (CNT) bundle under lateral biaxial compression is investigated in plane strain conditions using the chain model. In this model, tensile and bending rigidity of CTN walls, and the van der Waals interactions between them are taken into account. Initially the bundle in cross section is a triangular lattice of circular zigzag CNTs. Under increasing strain control compression, several structure transformations are observed. Firstly, the second-order phase transition leads to the crystalline structure with doubled translational cell. Then the first-order phase transition takes place with the appearance of collapsed CNTs. Further compression results in increase of the fraction of collapsed CNTs at nearly constant compressive stress and eventually all CNTs collapse. It is found that the potential energy of the CNT bundle during deformation changes mainly due to bending of CNT walls, while the contribution from the walls tension-compression and from the van der Waals energies is considerably smaller.

Continuum modeling of van der Waals interactions between carbon onion layers

Carbon ◽  
2011 ◽  
Vol 49 (5) ◽  
pp. 1620-1627 ◽  
Author(s):  
M. Todt ◽  
F.G. Rammerstorfer ◽  
F.D. Fischer ◽  
P.H. Mayrhofer ◽  
D. Holec ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Continuum Modeling ◽  
Carbon Onion

BENDING STABILITY OF INNER AND OUTER TUBES OF DOUBLE-WALLED CARBON NANOTUBE

2009 ◽  
Vol 08 (01n02) ◽  
pp. 9-13 ◽  
Author(s):  
ALI REZA RANJBARTOREH ◽  
GUOXIU WANG
Keyword(s):  
Carbon Nanotube ◽  
Aspect Ratio ◽  
Van Der Waals ◽  
Bending Moment ◽  
Outer Tube ◽  
Van Der Waals Interaction ◽  
Continuum Modeling

This paper considers the effects of bending moment on the structure of double-walled carbon nanotube (DWCNT). Two types of DWCNTs with almost the same aspect ratio (length/radius) are selected; also continuum modeling is utilized to study the bending stability of inner and outer tubes. As a result of the van der Waals interaction between adjacent tubes the critical bending moment of inner tube is higher than this moment of outer tube which is indicated from the obtained results of this research; thus, achieving higher reliability in nanostructures, the critical bending moment of outer tube should be taken into account.

Crystal Structures of Two New Cyclosporin Clathrates

2000 ◽  
Vol 65 (12) ◽  
pp. 1950-1958 ◽  
Author(s):  
Michal Hušák ◽  
Bohumil Kratochvíl ◽  
Ivana Císařová ◽  
Alexandr Jegorov
Keyword(s):  
Crystal Structures ◽  
Methyl Ether ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Solvent Molecules ◽  
Butyl Methyl Ether

Two isomorphous clathrates formed by dihydrocyclosporin A or cyclosporin V with tert-butyl methyl ether are reported and compared with the structures of related P21-symmetry cyclosporin clathrates. The cyclosporin molecules in both structures are associated via van der Waals interactions forming cavities occupied by solvent molecules (cyclosporin : tert-butyl methyl ether is 1 : 2).

Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex

2021 ◽  
Vol 154 (12) ◽  
pp. 124306
Author(s):  
Tao Lu ◽  
Daniel A. Obenchain ◽  
Jiaqi Zhang ◽  
Jens-Uwe Grabow ◽  
Gang Feng
Keyword(s):  
Spectroscopic Study ◽  
Disulfide Bond ◽  
Van Der Waals ◽  
Van Der Waals Interactions
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