Molecular dynamics study of the shear strength and fracture behavior of nanoporous graphene membranes

Fang, Te‐Hua; Lee, Zhe-Wei; Chang, Win-Jin

doi:10.1016/j.cap.2017.07.003

Cited by 13 publications

(7 citation statements)

References 30 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It is appropriate to comment that in both systems it is observed that fracture is generated around the pores (see structural evolutions in figure 3). Similar results on the mechanical properties of NPGs membranes were recently obtained and reported [31,34,35].…”

Section: Resultssupporting

confidence: 89%

“…It is worth mentioning, that the slope of the curve in the linear part gives us the Young's modulus of the NPG membranes. In figure 5 (a) it is observed, that the modulus decreases as the pore size increases, similar to previous studies [31]. Furthermore, this indicates that higher values of the modulus show an immediate response to deformation (NPG-hex).…”

Section: Size Effect On Npgs At 300 Ksupporting

confidence: 88%

“…These NPG membranes have a porosity of 0.97 % (NPG-hex), 0.64 % (NPG-rho), 0.81 % (NPG-rec) and 0.73 % (NPG-tri) in the armchair direction and 0.98 % (NPG-hex), 0.69 % (NPG-rho), 0.86 % (NPG-rec) and 0.78 % (NPG-tri) in the zigzag direction, respectively. Porosity is defined as the ratio between the atoms that are removed by generating the nanopore and the total number of atoms in the pristine graphene nanosheet [31].…”

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Efectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso

Cabanillas-Casas

Cuba-Supanta

Tapia

et al. 2021

Momento

View full text Add to dashboard Cite

En el presente trabajo se estudiaron los efectos de forma y tamaño de los poros sobre las propiedades mecánicas de membranas de grafeno nanoporosas (GNP). Las simulaciones de dinámica molecular fueron ejecutadas para estudiar las respuestas mecánicas y estructurales bajo una tracción uniaxial. Los resultados de las curvas tensión-deformación de las membranas de GNP muestran un comportamiento lineal elástico para razones de deformación pequeñas ($<$0.03) independiente de la dirección quiral. La anisotropía quiral (dirección armchair y zigzag) es notoria conforme se incrementa la deformación hasta el punto de fractura. Las membranas de GNP con poro hexagonal y rectangular presentan una mayor tensión de fractura (65 GPa y 81 GPa, respectivamente). Además, el módulo elástico de Young disminuye conforme se incrementa el tamaño del poro. Se espera que este estudio brinde aplicación práctica como filtros de membranas de alto rendimiento.

show abstract

Section: Resultssupporting

confidence: 89%

Section: Size Effect On Npgs At 300 Ksupporting

confidence: 88%

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Efectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso

Cabanillas-Casas

Cuba-Supanta

Tapia

et al. 2021

Momento

View full text Add to dashboard Cite

show abstract

“…It has been found that the fracture stress in graphene decreases with increasing porosity. In this study, the shear strain values at failure point were 0.397, 0.345, 0.3, 0.15, and 0.148 for porosity of 10.4%, 14.98%, 23.38%, 40%, and 50%, respectively [71].…”

Section: Improvement Of the Durabilitymentioning

confidence: 57%

Progress of water desalination applications based on wettability and surface characteristics of graphene and graphene oxide: A review

Eltigani

Boonyongmaneerat

2022

J Met Mater Miner

View full text Add to dashboard Cite

Seawater desalination techniques have been continuously developed to tackle the water scarcity problems. This review article provides comprehensive discussion on the progress of water desalination applications that utilize the unique wettability and surface characteristics of graphene and graphene oxides, which are being employed as ultrafiltration membranes in either a monolayer or multilayer nanosheet configuration. The interaction of water with graphene materials and their wetting characteristics as well as the controlling factors are examined. Particularly, the designs and roles of hydrophilic and hydrophobic nanopores and nanochannels are discussed. A focus is also made on recent developments of graphene membrane with respect to water flow, salt rejection and durability.

show abstract

“…However, molecular dynamics simulations are timeconsuming [12,13]. In addition, most of the aforementioned studies have focused on the electronic and mechanical properties of graphyne allotropes, and only a few are available on vibration behavior.…”

Section: Introductionmentioning

confidence: 99%

Atomic-Scale Finite Element Method for Analyzing the Sensitivity of Graphyne-Based Resonators

Lee

Yang

Chang

2018

Journal of Nanomaterials

Self Cite

View full text Add to dashboard Cite

An atomic-scale finite element method was applied to analyze the sensitivities of α-, β-, γ-, and 6,6,12-graphyne-based resonators in mass detection under different boundary conditions. These sensitivities are then compared with that of a graphene-based resonator obtained in a previous study. According to the analysis results, among the graphyne-based resonators, the α type shows the highest sensitivity, while the γ type shows the lowest. In addition, the sensitivity decreases as the resonator size increases. We also find that the location of the attached mass has a significant effect on the sensitivity of the γ-graphyne-based resonators with different attached masses. The α-graphyne-based resonator with a small attached mass is also sensitive to change in location. However, the situation is different for a large attached mass. This study is significant for the future design and application of a graphynebased resonator with high sensitivity.

show abstract

Molecular dynamics study of the shear strength and fracture behavior of nanoporous graphene membranes

Cited by 13 publications

References 30 publications

Efectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso

Efectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso

Progress of water desalination applications based on wettability and surface characteristics of graphene and graphene oxide: A review

Atomic-Scale Finite Element Method for Analyzing the Sensitivity of Graphyne-Based Resonators

Contact Info

Product

Resources

About