Analytical and molecular dynamics studies on the impact loading of single-layered graphene sheet by fullerene

Hosseini-Hashemi, Shahrokh; Sepahi-Boroujeni, Amin; Sepahi-Boroujeni, Saeid

doi:10.1016/j.apsusc.2017.12.141

Cited by 26 publications

(14 citation statements)

References 21 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In this section, the analytical impact model for graphene is discussed. In previously published research [15]- [20], graphene has never been analytically modelled at the macroscale. As theseanalyses were based on nano-indentation, scaling is not possible as the contact-force history is a function of the two-dimensional Young's modulus [ ] 2 , D E N m .…”

Section: Analytical Impact Model Of Graphenementioning

confidence: 99%

“…This was due to the inability of previous analytical models to consider the non-local vibrations for each vibrational mode. Hosseini-Hashemi et al [20] used non-local theory of elasticity to derive the equations of motions for impact on a single-layer graphene sheet; they also incorporated classical plate theory in to their studies, which meant assuming that the graphene sheet was a thin panel. They also derived a Open Journal of Composite Materials contact law to define the force acting between the panel and impactor, similar to previous approaches; namely approximating the mathematical function for van der Waals forces.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Transverse Impact Response Analysis of Graphene Panels: Impact Limits

Sonmez¹,

Ghasemnejad²,

Kamran³

et al. 2019

OJCM

View full text Add to dashboard Cite

Explicit numerical studies were conducted to determine the transverse impact response of graphene panels. Although the mechanical properties of graphene are well documented in both quasi-static and dynamic conditions via nanoand microscopic studies, the impact behaviour of the material at the macroscale has not yet been studied and would provide interesting and crucial insight in to the performance of the material on a more widely recognizable scale. Firstly, a numerical impact model was validated against an analytical impact model based on continuum mechanics which showed good correlation between contact-force histories. The performance of graphene panels subjected to impact was compared to the performance of panels composed of aerospace-grade aluminium and carbon fiber reinforced polymer (CFRP) composite. The graphene panel was found to exhibit lower specific energy than aluminium and CFRP at the low-energy range due to its inherently superior stiffness and intrinsic strength. On the other hand, the ballistic limit of 3 mm thick graphene panels was found to be 3375 m/s, resulting in an impact resistance 100 times greater than for aluminium or CFRP, making graphene the most suitable material for high-velocity impact protection.there has been huge interest in this new material, with a year on year increase in research investments and publications [3], leading to quantification of its unique properties.Graphene is the thinnest and strongest material ever measured [4], and its in-plane carbon bond is stronger than the tetrahedral one found in diamond.Additionally, it is extremely flexible and has the ability to stretch to 20% of its original state [5]. Furthermore, it has high thermal conductivity [6] and intrinsic mobility [7], higher than that of copper and silicon, respectively. Finally, it is transparent [8] and impermeable to even the smallest gaseous particles [9]. Due to its extraordinary properties, researchers have found applications for graphene in many fields such as biomedicine [10], solar energy [11], sensors [12], superconductors [13], and structural nanofillers [14], and it is predicted to affect many more fields in the near future. Unfortunately, there is an overbearing problem in applying graphene to these fields due to the lack of implementation and preparation at a high standard and volume, as concluded in a detailed review by Mohan et al. [3].So far, there have been only a handful of studies conducted on the impact response of graphene. In 2014, Lee et al. [15] were the first to demonstrate its en-

show abstract

Section: Analytical Impact Model Of Graphenementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Transverse Impact Response Analysis of Graphene Panels: Impact Limits

Sonmez¹,

Ghasemnejad²,

Kamran³

et al. 2019

OJCM

View full text Add to dashboard Cite

show abstract

“…The authors of the works given in Refs. [22][23][24][25][26][27] perform molecular dynamics calculations using the Tersoff potential or its modifications (Brenner, REBO, AIREBO). These potentials are excellent for modelling carbon structures and are most commonly applied in calculations of this kind which are usually carried out in software packages, such as LAMMPS [27].…”

Section: Introductionmentioning

confidence: 99%

Md-Simulation of Fullerene Rotations in Molecular Crystal Fullerite

et al. 2019

View full text Add to dashboard Cite

The present paper describes rotations of C60 fullerene molecules in the solid phase of a fullerite. The conducted studies show that these relatively large molecules rotate according to the same laws as macroscopic bodies, i.e., according to the laws of classical mechanics. The performed calculations confirm that fullerene rotations do not cause friction. We suggest a method for a strong increase in the internal energy of the material that does not lead to its destruction. It is theoretically shown that in standard fullerite, in the absence of electric and magnetic fields, fullerene rotations occur with an average angular frequency of 0.34·× 1012 rad·s−1, which is consistent with the experimental data obtained using nuclear magnetic resonance. By means of calculations, we found that alternating magnetic fields of a certain configuration wind fullerenes encapsulated by iron. In this case, two temperatures arise in the fullerite crystal: a high rotational temperature and a vibrational temperature close to normal. For the purpose of determining this velocity, as well as the nature of rotations, the present paper suggests a way of integrating the dynamic Euler equations for the projections of a molecule’s angular velocity vector onto the coordinate axes associated with the fullerene. The stages of computer simulation of fullerene movements, which was carried out without using previously developed packages of molecular-dynamic modelling, are consistently described.

show abstract

“…Molecular modeling including molecualr dynamics and/or electronic structure methods [1][2] is widely applied to investigate many systesm not limited to chemistry, physics, biology and envrioenmt. Emerging materials as well as biological molecules are considered among the most important molecular systems achived by molecualr modeling [3][4][5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations of the DNA Radiation Damage and Conformation Behavior on a Zirconium Dioxide Surface

et al. 2019

View full text Add to dashboard Cite

T HIS work is aimed on a complex study of the DNA immobilization and conformation processes on the zirconium dioxide (ZrO 2) surface. The DNA+ZrO 2 nanoparticles and nanosized films were investigated with the molecular dynamics (MD) modeling, experimental spectral and integral methods, including nuclear physics. Using the MD hybrid classical and quantum chemistry potentials, for the DNA solvated with water the DNA+ZrO 2 surface interactions were simulated We have generated series MD models, thereby simulating a different scenario of the DNA with possible charge modifications. The DNA charge modification were introduced in the DNA central region via its two phosphorus atoms, P a and P b , and for several set of MD models for the relaxed DNA structures we have estimated the positional changes of the distance D[DNA(P a ,P b)-ZrO 2 (O)] between the phosphorus atoms (P a ,P b) and selected oxygen atoms of the ZrO 2 surface. The work is aimed to the development of functional heterojunctions such as a biological molecule-wide-gap dielectric. These heterojunctions are intended for useing in the field of molecular electronics, in particular, for the creation of biochips, memory arrays and computer architectures of the future.

show abstract

Analytical and molecular dynamics studies on the impact loading of single-layered graphene sheet by fullerene

Cited by 26 publications

References 21 publications

Transverse Impact Response Analysis of Graphene Panels: Impact Limits

Transverse Impact Response Analysis of Graphene Panels: Impact Limits

Md-Simulation of Fullerene Rotations in Molecular Crystal Fullerite

Molecular Dynamics Simulations of the DNA Radiation Damage and Conformation Behavior on a Zirconium Dioxide Surface

Contact Info

Product

Resources

About