Related papers: Energy scaling law for nanostructured materials
We develop a scaling relationship between the exciton binding energy and the external dielectric function in carbon nanotubes. We show that the electron-electron and electron-hole interaction energies are strongly affected by screening yet…
Within the frame of macroscopic quantum electrodynamics in causal media, the van der Waals interaction between an atomic system and an arbitrary arrangement of dispersing and absorbing dielectric bodies including metals is studied. It is…
We consider a thin elastic sheet in the shape of a disk whose reference metric is that of a singular cone. I.e., the reference metric is flat away from the center and has a defect there. We define a geometrically fully nonlinear free…
We study the binding energy, intertube distance and electronic structure of bundles consisting of single walled carbon nanotubes of the same chirality. We model various nanotube structures (chiralities) and orientations with van der Waals…
Numerical calculations of the average dipole-coupling energy $\bar E_\mathrm{dip}$ in two-dimensional disordered magnetic nanostructures are performed as function of the particle coverage $C$. We observe that $\bar E_\mathrm{dip}$ scales as…
We study the role of electronegativity in sliding friction for five different two dimensional (2D) monolayer systems using density functional theory (DFT) with van der Waals (vdW) corrections. We show that the friction between the…
We consider a single disclination in a thin elastic sheet of thickness $h$. We prove ansatz-free lower bounds for the free elastic energy in three different settings: First, for a geometrically fully non-linear plate model, second, for…
The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…
Domain branching near the boundary appears in many singularly-perturbed models for microstructure in materials and was first demonstrated mathematically by Kohn and M\"uller for a scalar problem modeling the elastic behavior of shape-memory…
In the Nelson model particles interact through a scalar massless field. For hydrogen-like atoms there is a nucleus of infinite mass and charge $Ze$, $Z > 0$, fixed at the origin and an electron of mass $m$ and charge $e$. This system forms…
In this article, we study scaling laws for singularly perturbed two-well energies with prescribed Dirichlet boundary data in settings where the wells and/or the boundary data are incompatible. Our main focus is the geometrically linear…
The exfoliation energy - quantifying the energy required to extract a two-dimensional (2D) sheet from the surface of a bulk material - is a key parameter determining the synthesizability of 2D compounds. Here, using ab initio calculations,…
We measured the binding energy of N$_2$, CO, O$_2$, CH$_4$, and CO$_2$ on non-porous (compact) amorphous solid water (np-ASW), of N$_2$ and CO on porous amorphous solid water (p-ASW), and of NH$_3$ on crystalline water ice. We were able to…
Van der Waals heterogeneous interfaces are promising candidates for the scaling up of structural superlubricity to meet practical applications. Several factors, however, have been identified that may eliminate superlubricity. Elasticity is…
The effect of external static charging on borophenes - 2D boron crystals - is investigated by using first principles calculations. The influence of the excess negative charge on the stability of the 2D structures is examined using a very…
Translocation through a nanopore is a new experimental technique to probe physical properties of biomolecules. A bulk of theoretical and computational work exists on the dependence of the time to translocate a single unstructured molecule…
The physical principles are studied for the optimal design of a quantum multiwell heterostructure working as an electrostatic energy storage device. We performed the search for an optimal multiwell trapping potential for electrons that…
Two-dimensional materials can be combined by placing individual layers on top of each other, so that they are bound only by their van der Waals interaction. The sequence of layers can be chosen arbitrarily, enabling an essentially…
Layered and nanotubular systems that are metallic or graphitic are known to exhibit unusual dispersive van der Waals (vdW) power laws under some circumstances. In this letter we investigate the vdW power laws of bulk and finite layered…
Under many conditions, biomolecules and nanoparticles associate by means of attractive bonds, due to hydrophobic attraction. Extracting the microscopic association or dissociation rates from experimental data is complicated by the…