相关论文: Multi-scale approach for strain-engineering of pho…

Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been…

Multiscale techniques have been widely shown to potentially overcome the limitation of homogenization schemes in representing the microscopic failure mechanisms in heterogeneous media as well as their influence on their structural response…

Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…

Phosphorene, the single- or few-layer form of black phosphorus, was recently rediscovered as a twodimensional layered material holding great promise for applications in electronics and optoelectronics. Research into its fundamental…

We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting with suitable DFT calculations regarding the deformation…

This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…

Atomic-level structural changes in materials are important but challenging to study. Here, we demonstrate the dynamics and the possibility of manipulating a phosphorus dopant atom in graphene using scanning transmission electron microscopy…

Modeling arbitrarily large deformations of surfaces smoothly embedded in three-dimensional space is challenging. The difficulties come from two aspects: the existing geometry processing or forward simulation methods penalize the difference…

Intralayer deformation in van der Waals (vdW) heterostructures is generally assumed to be negligible due to the weak nature of the interactions between the layers, especially when the interfaces are found incoherent. In the present work,…

In this manuscript, we extend the variational multiscale enrichment (VME) method to model the dynamic response of hyperelastic materials undergoing large deformations. This approach enables the simulation of wave propagation under…

Strain can tune desirable electronic behavior in graphene, but there has been limited progress in controlling strain in graphene devices. In this paper, we study the mechanical response of graphene on substrates patterned with arrays of…

We provide a mathematical analysis for a metasurface constructed of plasmonic nanoparticles mounted periodically on the surface of a microcapsule. We derive an effective transmission condition, which exhibits resonances depending on the…

Force-aware grasping is an essential capability for most robots in practical applications. Especially for compliant grippers, such as Fin-Ray grippers, it still remains challenging to build a bidirectional mathematical model that mutually…

One of the enticing features common to most of the two-dimensional electronic systems that are currently at the forefront of materials science research is the ability to easily introduce a combination of planar deformations and bending in…

We investigate, based on the tight-binding model and in the linear deformation regime, the strain dependence of the electronic band structure of phosphorene, exposed to a uniaxial strain in one of its principle directions, the normal, the…

In this paper we develop a semi-analytical perturbation-theory approach to the calculation of the energy levels (binding energies) and wave functions of excitons in phosphorene. Our method gives both the exciton wave function in real and…

We present a molecular modeling study analyzing nanometer-scale strain variations in graphene as a function of externally applied tensile strain. We consider two different mechanisms that could underlie nanometer-scale strain variations:…

The application of strain to 2D materials allows manipulating the electronic, magnetic, and thermoelectric properties. These physical properties are sensitive to slight variations induced by tensile and compressive strain and to the…

The paper presents a theoretical description of the effects of strain induced by out-of-plane deformations on charge distributions and transport on graphene. A review of a continuum model for electrons using the Dirac formalism is…

We generalize the scalable tight-binding model for graphene, which allows for efficient quantum transport simulations in the Dirac regime, to account for elastic strain. We show that the original scalable model with scaling factor $s$ is…