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Thermal and mechanical properties of two-dimensional nanomaterials are commonly studied by calculating force constants using the density functional theory (DFT) and classical molecular dynamics (MD) simulations. Although DFT simulations…
The deformation and fracture behaviour of one-atom-thick mechanically exfoliated graphene has been studied in detail. Monolayer graphene flakes with different lengths, widths and shapes were successfully prepared by mechanical exfoliation…
Concrete subjected to combined compressive stresses and temperature loading exhibits compressive strains, which are considerably greater than for concrete subjected to compressive stresses alone. This phenomenon is called transient thermal…
The slow motion of a crack line is studied via an experiment in which sheets of paper are split into two halves in a ``peel-in-nip'' (PIN) geometry under a constant load, in creep. The velocity-force relation is exponential. The dynamics of…
The mechanical properties of two-dimensional materials are important for a wide range of applications including composite and van der Waals-materials, flexible electronics and superconductivity. Several aspects are highly debated in the…
Numerical and closed-form analytic expressions for plasmon dispersion relations and rates of dissipation are first obtained at finite-temperatures for free-standing gapped graphene. These closed-system results are generalized to an open…
Friction is a ubiquitous phenomenon that greatly affects our everyday lives and is responsible for large amounts of energy loss in industrialised societies. Layered materials such as graphene have interesting frictional properties and are…
Convection-driven cooling in porous media influences thermo-poro-mechanical stresses, thereby causing deformation. These processes are strongly influenced by the presence of fractures, which dominate flow and heat transfer. At the same…
Graphene is one of the most researched two dimensional (2D) material due to its unique combination of mechanical, thermal and electrical properties. Special 2D structure of graphene enables it to exhibit a wide range of peculiar material…
A coarse-grained molecular dynamics model of linear polyethylene-like polymer chain system was built to investigate the responds of structure and mechanical properties during uniaxial deformation. The influence of chain length, temperature,…
We report on Hybrid-Monte-Carlo simulations of the tight-binding model with long-range Coulomb interactions for the electronic properties of graphene. We investigate the spontaneous breaking of sublattice symmetry corresponding to a…
In this paper, we extend the recently proposed extended scaled boundary finite element method (xSBFEM)~\cite{natarajansong2013} to study fracture parameters of interfacial cracks and cracks terminating at the interface. The approach is also…
In this letter we study thermal conduction in mass-graded graphene flakes by nonequilibrium molecular dynamics simulations. It is found that mass-graded graphene flakes reveal no thermal rectification effect in thermal conduction process.…
Graphene is considered an ideal filler for the production of multifunctional nanocomposites; as a result, considerable efforts have been focused on the evaluation and modeling of its reinforcement characteristics. In this work, we modelled…
All-carbon heterostructures have been produced recently via focused ion beam patterning of single layer graphene. Amorphized graphene is similar to a graphene sheet in which some hexagons are replaced by a combination of pentagonal,…
The self-retracting motion of a graphene flake on a stack of graphene flakes is studied using molecular dynamics simulations. It is shown that in the case when the extended flake is initially rotated to an incommensurate state, there is no…
Motivated by the recent experimental detection of superconductivity in Bernal bilayer (AB) and rhombohedral trilayer (ABC) graphene, we study the emergence of superconductivity in multilayer graphene based on a Kohn-Luttinger (KL)-like…
Flexoelectricity refers to a phenomenon which involves a coupling of the mechanical strain gradient and electric polarization. In this study, a meshless Fragile Points Method (FPM), is presented for analyzing flexoelectric effects in…
We have studied the thermal properties of bended graphene nanoribbons (GNRs) using nonequilibrium molecular dynamics simulations. The thermal conductivity of bended GNRs shows a non-monotonous relationship with the bending angle, due to the…
Nothing is known about the thermal conductivity in twisted bilayer graphene (TBG) at small twist angles, and how it approaches its aligned value as the twist angle approaches 0 degrees. To provide insight into these questions, we perform…