Computational assessment of Stone-Wales defects on the elastic modulus and vibration response of graphene sheets

Braun, Matías; Arca, F.; Ariza, Manuel R. Gómez

doi:10.1016/j.ijmecsci.2021.106702

Cited by 5 publications

(8 citation statements)

References 76 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Дефекты кристаллической структуры естественным образом появляются в графене в процессе его синтеза, что особенно характерно для его крупномасштабного производства. Дефекты также могут появляться в результате внешних воздействий в локальных зонах концентрации напряжений как во время синтеза графена, так и при высоких температурах [1][2][3][4]. Наличие дефектов кристаллической решетки может существенно влиять на механические [3][4][5][6][7], химические [8], электронные и транспортные [9][10][11] свойства графена.…”

Section: Introductionunclassified

“…Как правило, наличие ДД приводит к короблению графена [14,16,17]. Прочность бездефектного графена очень высока, однако реальный графен содержит структурные дефекты, которые ухудшают его механические свойства [3][4][5][6][7][18][19][20]. Например, прочность на разрушение дефектного графена зависит от температуры и скорости деформации [21].…”

Section: Introductionunclassified

See 1 more Smart Citation

Влияние Дислокационных Диполей С Разным Плечом На Деформационное Поведение Графена: Молекулярная Динамика

Ахунова¹,

Baimova²

2023

Журнал Технической Физики

View full text Add to dashboard Cite

The molecular dynamics simulation is used to analyze the features of the deformation behavior and the process of fracture of graphene with dislocation dipoles with different arm. Moreover, the wrinkling of graphene during deformation is taken into account, which greatly reduces the strength of graphene. It has been established that an increase in temperature slightly affects the mechanical properties of graphene with dislocation dipoles, in contrast to defect-free graphene and graphene with a Stone–Wales defect. It is shown that a change in the distance between dislocations in a dipole does not significantly affect the elastic modulus and graphene strength. However, the presence of dislocation dipoles can affect graphene wrinkling during stretching.

show abstract

Section: Introductionunclassified

Влияние Дислокационных Диполей С Разным Плечом На Деформационное Поведение Графена: Молекулярная Динамика

Ахунова¹,

Baimova²

2023

Журнал Технической Физики

View full text Add to dashboard Cite

show abstract

“…Defects in graphene are usually in the form of vacancies, dislocations, grain boundaries, etc., [ 19 , 20 ]. The static [ 21 , 22 , 23 , 24 ] and dynamic [ 25 , 26 , 27 , 28 ] mechanical properties of graphene sheets are sensitive to lattice imperfections. Fully understanding the tensile and vibration properties of defective graphene sheets is necessary for the reliability of graphene resonators.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamic Simulation of Defective Graphene Nanoribbons for Tension and Vibration

Mao

Liu

et al. 2022

Nanomaterials

View full text Add to dashboard Cite

As deformation and defects are inevitable during the manufacture and service of graphene resonators, comprehensive molecular dynamic (MD) simulations are performed to investigate the vibrational properties of the defective single-layer graphene sheets (SLGSs) during tension. Perfect SLGSs, SLGSs with single vacancy, SLGSs with low-concentration vacancies, and SLGSs with high-concentration vacancies are considered, respectively. The frequencies of the perfect and defective SLGSs at different stretching stages are investigated in detail. The effects of different external forces are also taken into account to study the vibration properties of the defective SLGSs. Results show that the perfect and defective SLGSs both successively perform four stages, i.e., the elastic stage, the yield stage, the hardening stage, and the fracture stage during stretching, and the elastic properties of the SLGSs are insensitive to the vacancy defects, while the ultimate strain is noticeably reduced by the vacancies. The single vacancy has no effect on the vibration properties of SLGS, while the frequency decreases with the increasing vacancy concentration for SLGS at the elastic stage. The frequency of yielded SLGS with a certain vacancy concentration is almost constant even with a varying external force.

show abstract

“…Defects of the crystal structure are naturally present in as-grown graphene, especially for large-scale growth methods. Defects can appear in response to external loads in order to relieve local stresses, during graphene syntheses, at high temperatures, and were extensively studied by different methods [1][2][3][4]. Defects in graphene can considerably affect different properties of graphene: mechanical [3][4][5][6][7], electronic and transport [8][9][10], chemical activity [11], to name a few.…”

Section: Introductionmentioning

confidence: 99%

“…The strength of graphene is usually high, but it considerably depends on the presence of such topological defects and out-of-plane deformation. Defects change the mechanical properties of graphene [3][4][5][6][7][17][18][19]. For example, the fracture strength of defective graphene depends on temperature and strain rate [20].…”

Section: Introductionmentioning

confidence: 99%

The Effects of Dislocation Dipoles on the Failure Strength of Wrinkled Graphene from Atomistic Simulation

2022

View full text Add to dashboard Cite

This research paper studies the fracture and mechanical properties of rippled graphene containing dislocation dipoles. The atomistic simulation is performed to study the deformation behavior of pristine and defective wrinkled graphene. Graphene wrinkling considerably decreases the ultimate tensile strength of graphene with and without defects but increases the fracture strain. For graphene with the dislocation dipoles, temperature increase slightly affects mechanical properties, in contrast to graphene and graphene with Stone–Wales defect. The extremely similar slopes of the stress-strain curves for graphene with the dislocation dipoles with different arms imply that the distance between dislocations in the dipole does not have noticeable effects on the elastic modulus and strength of graphene. Defects in graphene can also affect its wrinkling; for example, preventing wrinkle formation.

show abstract

Computational assessment of Stone-Wales defects on the elastic modulus and vibration response of graphene sheets

Cited by 5 publications

References 76 publications

Влияние Дислокационных Диполей С Разным Плечом На Деформационное Поведение Графена: Молекулярная Динамика

Влияние Дислокационных Диполей С Разным Плечом На Деформационное Поведение Графена: Молекулярная Динамика

Molecular Dynamic Simulation of Defective Graphene Nanoribbons for Tension and Vibration

The Effects of Dislocation Dipoles on the Failure Strength of Wrinkled Graphene from Atomistic Simulation

Contact Info

Product

Resources

About