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Decoupling of the graphene layer from the ferromagnetic substrate via intercalation of sp metal has recently been proposed as an effective way to realize single-layer graphene-based spin-filter. Here, the structural and electronic…
Decohesion undergoing large displacements takes place in a wide range of applications. In these problems, interface element formulations for large displacements should be used to accurately deal with coupled material and geometrical…
Understanding the interface between metals and two-dimensional materials is critical for their application in electronics and for the development of metal-mediated exfoliation of large area monolayers. Studying the intricate interactions at…
Two-dimensional materials on metallic surfaces or stacked one on top of the other can form a variety of moir\'e superstructures depending on the possible parameter and symmetry mismatch and misorientation angle. In most cases, such as…
The theoretical modelling of metal-organic interfaces represents a formidable challenge, especially in consideration of the delicate balance of various interaction mechanisms and the large size of involved molecular species. In the present…
A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of different materials. Aluminum (Al) and titanium nitride…
The effective transport properties of heterogeneous nanoscale materials and structures are affected by several geometrical and physical factors. Among them the presence of imperfect interfaces plays a central role being often at the origin…
Interface by definition is two-dimensional (2-D) as it separates 2 phases with an abrupt change in structure and chemistry across the interface. The interface between a metal and its nitride is expected to be atomically sharp, as chemical…
A continuum-space bead-spring model is used to study the phase behavior of binary blends of homopolymers and the structure of the interface between the two immiscible phases. The structure of the interface is investigated as a function of…
Lattice structures have great potential for several application fields ranging from medical and tissue engineering to aeronautical one. Their development is further speeded up by the continuing advances in additive manufacturing…
The optical properties of periodic arrays of plasmonic nanoantennas are strongly affected by coherent multiple scattering in the plane of the array, which leads to sharp spectral resonances in both transmission and reflection when the…
In analogous to the Su-Schrieffer-Heeger (SSH) model, one-dimensional (1D) electromagnetic (EM) crystals can exhibit nontrivial topological properties. In particular, when a nontrivial EM crystal is in contact with its trivial counterpart,…
We demonstrate optimization of thermal conductance across nanostructures by developing a method combining atomistic Green's function and Bayesian optimization. With an aim to minimize and maximize the interfacial thermal conductance (ITC)…
We study the thermal conductance across solid-solid interfaces as the composition of an intermediate matching layer is varied. In absence of phonon-phonon interactions, an added layer can make the interfacial conductance increase or…
Understanding the contact between solid surfaces is a long standing problem which has a strong impact on the physics of many processes such as adhesion, friction, lubrication and wear. Experimentally, the investigation of solid/solid…
Heterostructures combining diverse physico-chemical properties are increasingly in demand for a wide range of applications in modern science and technology. However, despite their importance in materials science, accurately determining…
The static and dynamic properties of a Cosserat-type lattice interface of finite thickness are studied, so that both displacements and rotational degrees of freedom are taken into account. The model allows considering interfaces with a…
We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of $\pi$-conjugated organic molecules. The model utilizes…
Recent years have seen growing application potential for Lattice-skin Plate Structures in advanced manufacturing fields such as aerospace and automotive engineering. For multiscale performance evaluation of such structures, conventional…
The current work employed absolutely smooth surface and lattice structure surface to distinguish the relationship between intrinsic wettability of different combinations of liquid and solid particles and the microscopic interparticle…