Thermal transport in graphene-polymer nanocomposites

Graphene-polymer nanocomposites have attracted considerable attention due to their unique properties, such as high thermal conductivity (~3000 W mK-1), mechanical stiffness (~ 1 TPa) and electronic transport properties. Relatively, the thermal performance of graphene-polymer composites has not been well investigated. The major technical challenge is to understand the interfacial thermal transport between graphene nanofiller and polymer matrix at small material length scale. To this end, we conducted molecular dynamics simulations to investigate the thermal transport in graphene-polyethylene nanocomposite. The influence of functionalization with hydrocarbon chains on the interfacial thermal conductivity was studied, taking into account of the effects of model size and thermal conductivity of graphene. The results are considered to contribute to development of new graphene-polymer nanocomposites with tailored thermal properties.

Molecular dynamics simulation of fracture strength and morphology of defective graphene

Different types of defects can be introduced into graphene during material synthesis, and significantly influence the properties of graphene. In this work, we investigated the effects of structural defects, edge functionalisation and reconstruction on the fracture strength and morphology of graphene by molecular dynamics simulations. The minimum energy path analysis was conducted to investigate the formation of Stone-Wales defects. We also employed out-of-plane perturbation and energy minimization principle to study the possible morphology of graphene nanoribbons with edge-termination. Our numerical results show that the fracture strength of graphene is dependent on defects and environmental temperature. However, pre-existing defects may be healed, resulting in strength recovery. Edge functionalization can induce compressive stress and ripples in the edge areas of graphene nanoribbons. On the other hand, edge reconstruction contributed to the tensile stress and curved shape in the graphene nanoribbons.

Hybrid place : blurring the edge between the digital and physical layers of urban environments

The purpose of this paper is to investigate the edge condition between the digital layers and the physical layers of the city and how tangible expressions of the interrelationships between them to create and define new experiences of place, creating hybrid place. To date there has been discussion and investigation into understanding the importance of place, similarly into defining hybrid space. This paper explores principles of place and space to question how they can be applied into defining and proposing the notion of hybrid place in urban environments. The integration of media spaces into architecture provide infrastructure for the development of hybrid place. The physical boundaries of urban spaces become blurred through the integration of media such as computer technologies connecting the physical environment with the digital. Literature and case studies that reflect the current trends of use of technology by people in space and place within urban environments are examined.

Fabrication and mechanical and thermal behaviour of graphene oxide/epoxy nanocomposites

Bulk amount of graphite oxide was prepared by oxidation of graphite using the modified Hummers method and its ultrasonication in organic solvents yielded graphene oxide (GO). X-ray diffraction (XRD) pattern, X-ray photoelectron (XPS), Raman and Fourier transform infrared (FTIR) spectroscopy indicated the successful preparation of GO. XPS survey spectrum of GO revealed the presence of 66.6 at% C and 30.4 at% O. Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM) images of the graphene oxide showed that they consist of a large amount of graphene oxide platelets with a curled morphology containing of a thin wrinkled sheet like structure. AFM image of the exfoliated GO signified that the average thickness of GO sheets is ~1.0 nm which is very similar to GO monolayer. GO/epoxy nanocomposites were prepared by typical solution mixing technique and influence of GO on mechanical and thermal properties of nanocomposites were investigated. As for the mechanical behaviour of GO/epoxy nanocomposites, 0.5 wt% GO in the nanocomposite achieved the maximum increase in the elastic modulus (~35%) and tensile strength (~7%). The TEM analysis provided clear image of microstructure with homogeneous dispersion of GO in the polymer matrix. The improved strength properties of GO/epoxy nanocomposites can be attributed to inherent strength of GO, the good dispersion and the strong interfacial interactions between the GO sheets and the polymer matrix. However, incorporation of GO showed significant negative effect on composite glass transition temperature (Tg). This may arise due to the interference of GO on curing reaction of epoxy.

Unsteady buoyancy driven flows and heat transfer through coupled thermal boundary layers in a partitioned triangular enclosure

A numerical investigation has been carried out for the coupled thermal boundary layers on both sides of a partition placed in an isosceles triangular enclosure along its middle symmetric line. The working fluid is considered as air which is initially quiescent. A sudden temperature difference between two zones of the enclosure has been imposed to trigger the natural convection. It is anticipated from the numerical simulations that the coupled thermal boundary layers development adjacent to the partition undergoes three distinct stages; namely an initial stage, a transitional stage and a steady state stage. Time dependent features of the coupled thermal boundary layers as well as the overall natural convection flow in the partitioned enclosure have been discussed and compared with the non-partitioned enclosure. Moreover, heat transfer as a form of local and overall average Nusselt number through the coupled thermal boundary layers and the inclined walls is also examined.

Graphene-based thin film supercapacitor with graphene oxide as dielectric spacer

Thin film supercapacitors are produced by using electrochemically exfoliated graphene (G) and wet-chemically produced graphene oxide (GO). Either G/GO/G stacked film or sole GO film are sandwiched by two Au films to make devices, where GO is the dielectric spacer. The addition of graphene film for charge storage can increase the capacitance about two times, compared to the simple Au electrode. It is found that the GO film has very high dielectric constant, accounting for the high capacitance of these devices. AC measurements reveal that the relative permittivity of GO is in the order of 104 within the frequency range of 0.1–70 Hz.

Porous graphene and nanomeshes

This chapter briefly introduces the concepts and modeling of gas/isotope separation by two dimensional carbon frameworks, i.e. porous graphene and carbon nanomeshes, on the basis of reviewing recent literatures. The small size of evenly distributed pores on these carbon frameworks make them ideal not only for the separation of small gas molecules but also for isotope separation by utilizing the different zero point energies induced by confinement of the pores. The related simulations were treated by transition state theory, an affordable yet precise method that could be adopted in combination with different levels of theory. Such method could be employed to evaluate the performance, as well as to aid the design, of other 2D carbon frameworks toward the goal of gas/isotope separation in the future.

Electrochemically exfoliated graphene for electrode films : effect of graphene flake thickness on the sheet resistance and capacitive properties

We present an electrochemical exfoliation method to produce controlled thickness graphene flakes by ultrasound assistance. Bilayer graphene flakes are dominant in the final product by using sonication during the electrochemical exfoliation process, while without sonication the product contains a larger percentage of four-layer graphene flakes. Graphene sheets prepared by using the two procedures are processed into films to measure their respective sheet resistance and optical transmittance. Solid-state electrolyte supercapacitors are made using the two types of graphene films. Our study reveals that films with a higher content of multilayer graphene flakes are more conductive, and their resistance is more easily reduced by thermal annealing, making them suitable as transparent conducting films. The film with higher content of bilayer graphene flakes shows instead higher capacitance when used as electrode in a supercapacitor.

Two-dimensional graphene heterojunctions: The tunable mechanical properties

We report the mechanical properties of different two-dimensional carbon heterojunctions (HJs) made from graphene and various stable graphene allotropes, including α-, β-, γ- and 6612-graphyne (GY), and graphdiyne (GDY). It is found that all HJs exhibit a brittle behaviour except the one with α-GY, which however shows a hardening process due to the formation of triple carbon rings. Such hardening process has greatly deferred the failure of the structure. The yielding of the HJs is usually initiated at the interface between graphene and graphene allotropes, and monoatomic carbon rings are normally formed after yielding. By varying the locations of graphene (either in the middle or at the two ends of the HJs), similar mechanical properties have been obtained, suggesting insignificant impacts from location of graphene allotropes. Whereas, changing the types and percentages of the graphene allotropes, the HJs exhibit vastly different mechanical properties. In general, with the increasing graphene percentage, the yield strain decreases and the effective Young’s modulus increases. Meanwhile, the yield stress appears irrelevant with the graphene percentage. This study provides a fundamental understanding of the tensile properties of the heterojunctions that are crucial for the design and engineering of their mechanical properties, in order to facilitate their emerging future applications in nanoscale devices, such as flexible/stretchable electronics.

Tensile properties of Si nanowires with faulted stacking layers

Semiconductor nanowires (NWs) show tremendous applications in micro/nano-electro-mechanical systems. In order to fulfill their promising applications, an understanding of the mechanical properties of NWs becomes increasingly important. Based on the large-scale molecular dynamics simulations, this work investigated the tensile properties of Si NWs with different faulted stacking layers. Different faulted stacking layers were introduced around the centre of the NW by the insertion or removal of certain stacking layers, inducing twins, intrinsic stacking fault, extrinsic stacking fault, and 9R crystal structure. Stress–strain curves obtained from the tensile deformation tests reveal that the presence of faulted stacking layers has induced a considerable decrease to the yield strength while only a minor decrease to Young's modulus. The brittle fracture phenomenon is observed for all tested NWs. In particular, the formation of a monatomic chain is observed for the perfect NW, which exists for a relatively wide strain range. For the defected NW, the monatomic chain appears and lasts shorter. Additionally, all defected NWs show a fracture area near the two ends, in contrast to the perfect NW whose fracture area is adjacent to the middle. This study provides a better understanding of the mechanical properties of Si NWs with the presence of different faulted stacking layers.

Graphene ripples generated by grain boundaries in highly ordered pyrolytic graphite

Atomic scale periodic ripples that extend for several nanometers on the surface of adjacent graphitic grains have been observed for the first time on highly ordered pyrolitic graphite by UHV-STM. The ripples emanate from a grain boundary, and are explained in terms of a mechanical deformation due to the elastic strain accumulated along the GB, which is relieved out-of-plane in the topmost graphene layer. We present a molecular dynamics model that accounts for the formation of similar ripples as result of the lattice mismatch induced by two different grain orientations.

Thermal conductivity of Si nanowires with faulted stacking layers

Faulted stacking layers are ubiquitously observed during the crystal growth of semiconducting nanowires (NWs). In this paper, we employ the reverse non-equilibrium molecular dynamics simulation to elucidate the effect of various faulted stacking layers on the thermal conductivity (TC) of silicon (Si) NWs. We find that the stacking faults can greatly reduce the TC of the Si NW. Among the different stacking faults that are parallel to the NW's axis, the 9R polytype structure, the intrinsic and extrinsic stacking faults (iSFs and eSFs) exert more pronounced effects in the reduction of TC than the twin boundary (TB). However, for the perpendicularly aligned faulted stacking layers, the eSFs and 9R polytype structures are observed to induce a larger reduction to the TC of the NW than the TB and iSFs. For all considered NWs, the TC does not show a strong relation with the increasing number of faulted stacking layers. Our studies suggest the possibility of tuning the thermal properties of Si NWs by altering the crystal structure via the different faulted stacking layers.

Tailoring the resonance of bilayer graphene sheets by interlayer sp3 bonds

Graphene-based resonators are envisioned to build the ultimate limit of two-dimensional nanoelectromechanical system due to their ultrasensitive detection of mass, force, pressure and charge. However, such application has been greatly impeded by their extremely low quality factor. In the present work, we explore, using the large-scale molecular dynamics simulation, the possibility of tailoring the resonance properties of a bilayer graphene sheet (GS) with interlayer sp3 bonds. For the bilayer GS resonator with interlayer sp3 bonds, we discovered that the sp3 bonds can either degrade or enhance the resonance properties of the resonator depending on their density and location. It is found that the distribution of sp3 bonds only along the edges of either pristine or hydrogenated bilayer GS, leads to a greatly enhanced quality factor. A quality factor of ~1.18×105 is observed for a 3.07×15.31 nm2 bilayer GS resonator with sp3 bonds, which is more than 30 times larger comparing with that of a pristine bilayer GS. The present study demonstrates that the resonance properties of a bilayer GS resonator can be tuned by introducing sp3 bonds. This finding provides a useful guideline for the synthesis of the bilayer GS for its application as a resonator component.

Effect of defects on fracture strength of graphene sheets

With a hexagonal monolayer network of carbon atoms, graphene has demonstrated exceptional electrical 22 and mechanical properties. In this work, the fracture of graphene sheets with Stone–Wales type defects and vacancies were investigated using molecular dynamics simulations at different temperatures. The initiation of defects via bond rotation was also investigated. The results indicate that the defects and vacancies can cause significant strength loss in graphene. The fracture strength of graphene is also affected by temperature and loading directions. The simulation results were compared with the prediction from the quantized fracture mechanics.

Structural layers of communication on Twitter

Twitter is used for a range of communicative purposes. These extend from personal tweets that address what used to be Twitter’s default question, “What’s happening?”, through one-on-one @reply conversations between close friends and attempts at getting the attention of celebrities and other public actors, to discussions in communities built around specific issues—and back again to broadcast-style statements from well-known individuals and brands to their potentially very large retinue of followers.