scholarly journals Modeling interactions of dsDNA inside single-walled nanotubes

AIP Advances ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 045102
Author(s):  
Mansoor H. Alshehri
Keyword(s):  
Single Walled Nanotubes ◽  
Modeling Interactions

DFT insight into Hashmi phenol synthesis catalyzed by Au single-walled nanotubes: mechanism and charge effect

2021 ◽  
Vol 140 (1) ◽  
Author(s):  
Xiao Yan ◽  
Yafei Luo ◽  
Hailian Yan ◽  
Qing Luo ◽  
Zhongzhu Chen ◽  
...  
Keyword(s):  
Charge Effect ◽  
Single Walled Nanotubes ◽  
Phenol Synthesis ◽  
Insight Into

scholarly journals Modeling Interactions between an Amino Acid and a Metal Dication: Cysteine-Calcium(II) Reactions in the Gas Phase

ChemPlusChem ◽  
2013 ◽  
Vol 78 (9) ◽  
pp. 1124-1133 ◽  
Author(s):  
Marcela Hurtado ◽  
Manuel Monte ◽  
Al Mokhtar Lamsabhi ◽  
Manuel Yáñez ◽  
Otilia Mó ◽  
...  
Keyword(s):  
Amino Acid ◽  
Gas Phase ◽  
Modeling Interactions

Analytical and Numerical Predictions of Thermoelastic Properties of Carbon Single-Walled Nanotubes

Aerospace ◽  
2005 ◽  
Author(s):  
Vinod P. Veedu ◽  
Davood Askari ◽  
Mehrdad N. Ghasemi-Nejhad
Keyword(s):  
Finite Element Analysis ◽  
Finite Element ◽  
Graphene Sheet ◽  
Effective Properties ◽  
Constitutive Models ◽  
Thermoelastic Properties ◽  
Asymptotic Homogenization ◽  
Element Analysis ◽  
Single Walled Nanotubes ◽  
Numerical Predictions

The objective of this paper is to develop constitutive models to predict thermoelastic properties of carbon single-walled nanotubes using analytical, asymptotic homogenization, and numerical, finite element analysis, methods. In our approach, the graphene sheet is considered as a non-homogeneous network shell layer which has zero material properties in the regions of perforation and whose effective properties are estimated from the solution of the appropriate local problems set on the unit cell of the layer. Our goal is to derive working formulas for the entire complex of the thermoelastic properties of the periodic network. The effective thermoelastic properties of carbon nanotubes were predicted using asymptotic homogenization method. Moreover, in order to verify the results of analytical predictions, a detailed finite element analysis is followed to investigate the thermoelastic response of the unit cells and the entire graphene sheet network.

scholarly journals Ab initiocalculations of the optical properties of 4-Å-diameter single-walled nanotubes

2002 ◽  
Vol 66 (15) ◽  
Author(s):  
M. Machón ◽  
S. Reich ◽  
C. Thomsen ◽  
D. Sánchez-Portal ◽  
P. Ordejón
Keyword(s):  
Optical Properties ◽  
Single Walled Nanotubes

scholarly journals Research and Modeling of Viscoelastic Behavior of Elastomeric Nanocomposites

2021 ◽  
pp. 76-87
Author(s):  
V. D Kislitsyn ◽  
K. A Mokhireva ◽  
V. V Shadrin ◽  
A. L Svistkov
Keyword(s):  
Constitutive Relations ◽  
Viscoelastic Behavior ◽  
Polymer Materials ◽  
Material Structure ◽  
Softening Effect ◽  
Single Walled Nanotubes ◽  
Wide Range ◽  
Significant Difference ◽  
The Matrix ◽  
Entire History

The paper presents results of studying mechanical properties of polymer composites depending on types of filler particles (granular - carbon black, nanodiamonds; layered - graphene plates; fibrous - single-walled nanotubes). These nanofillers differ greatly from each other in their structure and geometry. A significant difference in behavior of nanocomposites was revealed even with little introduction of particles into the elastomer. The highest level of reinforcement of the matrix was obtained when single-wall nanotubes and detonation nanodiamonds were used as fillers. The viscoelastic properties and the Mullins softening effect [1-4] were investigated in experiments performed with material samples subjected to complex uniaxial cyclic deformation. In these experiments, the amplitude of deformations was changed step by step; and at each step a time delay was specified to complete rearrangement processes of the material structure. It was found that a pronounced softening effect after the first cycle of deformation and significant hysteresis losses occur in the material filled with single-walled nanotubes. These characteristics are insignificant for the rest of nanocomposites until elongation increases twofold. In accordance with the obtained results, a new version of the mathematical model to describe properties of the viscoelastic polymer materials was proposed. The constants of the constitutive relations were calculated for each material; the theoretical and experimental load curves were compared. As a result, the introduced model is able to describe the behavior of elastomeric nanocomposites with a high accuracy. Moreover, this model is relatively easy to use, suitable for a wide range of strain rates and stretch ratios and does not require the entire history of deformation as needed for integral models of viscoelasticity.

Selective detection of chiral molecules by chiral single walled nanotubes

2007 ◽  
Vol 443 (1-3) ◽  
pp. 113-117 ◽  
Author(s):  
C. Girardet ◽  
D. Vardanega ◽  
F. Picaud
Keyword(s):  
Selective Detection ◽  
Chiral Molecules ◽  
Single Walled Nanotubes
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