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Relevant bibliographies by topics / Finite Graphene Sheets

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Journal articles

Academic literature on the topic 'Finite Graphene Sheets'

Author: Grafiati

Published: 6 September 2023

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Journal articles on the topic "Finite Graphene Sheets"

1

Ahmadi, M., R. Ansari, and S. Rouhi. "Investigating the thermal conductivity of concrete/graphene nanocomposite by a multi-scale modeling approach." International Journal of Modern Physics B 32, no. 14 (2018): 1850171. http://dx.doi.org/10.1142/s0217979218501710.

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In this paper, a multi-scale modeling approach is used to study the effect of adding graphene sheets to concrete matrix on the thermal conductivity of the concrete. By computing the thermal conductivity of the graphene along the armchair and zigzag directions using molecular dynamics (MO) simulations, it is shown that the graphene sheets have orthotropic thermal behavior. Therefore, at the upper scale, in which the finite element (FE) method is used to obtain the thermal conductivity of the concrete/graphene nanocomposites, the graphene sheets are considered as orthotropic continuous sheets. I

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2

Zhen, Cai Ru, Yu Li Chen, Chuan Qiao, and Qi Jun Liu. "Atomistic Simulation on Buckling Behavior of Monolayer Graphene." Advanced Materials Research 1095 (March 2015): 35–38. http://dx.doi.org/10.4028/www.scientific.net/amr.1095.35.

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The buckling behavior of monolayer graphene sheets with simple-supported, clamped-free and clamped-clamped boundary conditions is investigated by the atomic-scale finite method (AFEM). The initial static equilibrium state of monolayer graphene sheet is obtained in the simulation as a waved configuration which is close to the real graphene observed in experiments. With the increase of compressive displacement, the force displays three stages: linear increasing, nonlinear increasing and decreasing slowly after a sudden drop. Different from the prediction by classical theory, the critical bucklin

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3

Petrushenko, Igor K. "DFT Study on Adiabatic and Vertical Ionization Potentials of Graphene Sheets." Advances in Materials Science and Engineering 2015 (2015): 1–7. http://dx.doi.org/10.1155/2015/262513.

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Adiabatic and vertical ionization potentials (IPs) of finite-size graphene sheets as a function of size were determined by using density functional theory. In the case of graphene a very moderate gap between vertical and adiabatic IPs was observed, whereas for coronene molecule as a model compound these values differ considerably. The ionization process induces large changes in the structure of the studied sheets of graphene; “horizontal” and “vertical” bond lengths have different patterns of alternation. It was also established that the HOMO electron density distribution in the neutral graphe

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4

Kazemi, Seyedeh Alieh, Sadegh Imani Yengejeh, and Andreas Öchsner. "On the Modeling of Eigenmodes and Eigenfrequencies of Carbon Graphene Sheets under the Influence of Vacancy Defects." Journal of Nano Research 38 (January 2016): 101–6. http://dx.doi.org/10.4028/www.scientific.net/jnanor.38.101.

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The vibrational behavior of defected graphene sheets was investigated via finite element analysis. The simulations were carried out for perfect and imperfect nanosheets. This study was conducted to examine the influence of vacant sites on these nanostructures. In the current study, a graphene sheet is considered as a space frame. The natural frequency and corresponding mode shapes of the perfect and defective nanosheets were obtained and compared. Results are presented as diagrams stating the natural frequency of graphene sheets with respect to the amount of vacancy defects. The results indica

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5

Wang, Xiunan, Yi Liu, Jingcheng Xu, et al. "Molecular Dynamics Study of Stability and Diffusion of Graphene-Based Drug Delivery Systems." Journal of Nanomaterials 2015 (2015): 1–14. http://dx.doi.org/10.1155/2015/872079.

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Graphene, a two-dimensional nanomaterial with unique biomedical properties, has attracted great attention due to its potential applications in graphene-based drug delivery systems (DDS). In this work graphene sheets with various sizes and graphene oxide functionalized with polyethylene glycol (GO-PEG) are utilized as nanocarriers to load anticancer drug molecules including CE6, DOX, MTX, and SN38. We carried out molecular dynamics calculations to explore the energetic stabilities and diffusion behaviors of the complex systems with focuses on the effects of the sizes and functionalization of gr

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6

Dobrescu, Oana-Ancuta, and M. Apostol. "Tight-binding approximation for bulk and edge electronic states in graphene." Canadian Journal of Physics 93, no. 5 (2015): 580–84. http://dx.doi.org/10.1139/cjp-2014-0313.

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The tight-binding approximation is employed here to investigate electronic bulk and edge (“surface”) states in semi-infinite graphene sheets and graphene monolayer ribbons with various edge terminations (zigzag, horseshoe, and armchair edges). It is shown that edge states do not exist for a uniform hopping (transfer) matrix. The problem is generalized to include edge elements of the hopping matrix distinct from the infinite-sheet (“bulk”) ones. In this case, semi-infinite graphene sheets with zigzag or horseshoe edges exhibit edge states, while semi-infinite graphene sheets with armchair edges

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7

REDDY, C. D., S. RAJENDRAN, and K. M. LIEW. "EQUIVALENT CONTINUUM MODELING OF GRAPHENE SHEETS." International Journal of Nanoscience 04, no. 04 (2005): 631–36. http://dx.doi.org/10.1142/s0219581x05003528.

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Carbon nanotubes have drawn tremendous interest due to their excellent mechanical and electronic properties. Carbon nanotubes have a similar molecular structure as that of graphene sheets. Hence, characterization of mechanical properties of graphene sheet based on equivalent continuum modelling is of considerable importance. Our initial studies are carried out on a single carbon ring/cell. The ring is then modelled as a truss (finite) element assemblage and equivalent Young's modulus is computed for a few fundamental modes. Next, these studies have been extended to model graphene sheet as a pl

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8

Bocko, J., and P. Lengvarský. "Elastic modulus of defected graphene sheets." IOP Conference Series: Materials Science and Engineering 1199, no. 1 (2021): 012021. http://dx.doi.org/10.1088/1757-899x/1199/1/012021.

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Abstract In this paper, the elastic modulus of single-layered graphene sheets (SLGSs) with and without defects is investigated using the finite element method. The SLGSs with two chiralities (armchair and zigzag) are modeled by beam elements. At first, the SLGSs without defects are investigated then the carbon atoms and corresponding beam elements are removed and the elastic modulus of SLGSs is determined. The increasing number of defects apparently decreased the elastic modulus of graphene sheets.

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9

Bocko, Jozef, and Pavol Lengvarský. "Buckling analysis of graphene nanosheets by the finite element method." MATEC Web of Conferences 157 (2018): 06002. http://dx.doi.org/10.1051/matecconf/201815706002.

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The paper is devoted to the problems related to buckling analysis of graphene sheets without and with vacancies in the structure under different boundary conditions. The analysis was performed by the classical numerical treatment – the finite element method (FEM). The graphene sheets were modelled by beam elements. Interatomic relations between carbon atoms in the structure were represented by the beams connecting individual atoms. The behaviour of the beam as structural element was based on the properties that were established from relations of molecular mechanics. The vacancies in single lay

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10

Yengejeh, Sadegh Imani, Seyedeh Alieh Kazemi, Oleksandr Ivasenko, and Andreas Öchsner. "Simulations of Graphene Sheets Based on the Finite Element Method and Density Functional Theory: Comparison of the Geometry Modeling under the Influence of Defects." Journal of Nano Research 47 (May 2017): 128–35. http://dx.doi.org/10.4028/www.scientific.net/jnanor.47.128.

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In the present research, imperfect graphene sheets were generated and their vibrational property was studied via finite element analysis. The effect of vacant sites in the arrangement of these nano-structures was examined. The fundamental frequency of the defect free and imperfect nano-sheets was acquired based on two different approaches. The first approach was a pure finite element simulation. The second approach for comparison purpose was a recently reported refined finite element simulation at which the vicinity of a defect was first evaluated according to the density functional theory (DF

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