Related papers: Energy scaling law for nanostructured materials
The cohesive energies and structural properties of recently predicted, and never synthesized, B$_2$O$_3$ polymorphs are investigated from first principles using density functional theory and high-accuracy many-body methods, namely, the…
Point polarizable molecules at fixed spatial positions have solvable electrostatic properties in classical approximation, the most familiar being the Clausius-Mossotti (CM) formula. This paper generalizes the model and imagines various…
When sheets of layered material like C, WS$_2$ or BN are restricted to finite sizes, they generally form single- and multi-walled hollow nanoparticles in order to avoid dangling bonds. Using continuum approaches to model elastic deformation…
We use numerical simulations to show how noninteracting hard particles binding to a deformable elastic shell may self-assemble into a variety of linear patterns. This is a result of the nontrivial elastic response to deformations of shells.…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
The objective of this article is to compare different surface energies for multi-well singular perturbation problems associated with martensitic phase transformations involving higher order laminates. We deduce scaling laws in the singular…
Motivated by often contradictory literature reports on size dependence of surface energy of gold nanoparticles, we performed an atomistic study combining molecular dynamics and \textit{ab initio} calculations. We show that in the case of Au…
Van der Waals interactions are ubiquitous and they play an important role for the stability of materials. Current understanding of this type of coupling is based on linear response theory, while optical nonlinearities are rarely considered…
Interwall interaction energies, as well as barriers to relative sliding of the walls along the nanotube axis, are first calculated for pairs of both armchair or both zigzag adjacent walls of carbon nanotubes with a wide range of radiuses.…
We determine analytically the dependence of the approach to thermal equilibrium of strongly coupled plasmas on the breaking of scale invariance. The theories we consider are the holographic duals to Einstein gravity coupled to a scalar with…
We study the dielectric response of few layered crystals of various transition metal dichalcogenides (TMDs) and hexagonal Boron Nitride (hBN). We showed that the out-of-plane polarizability of a multilayer crystal (which characterizes…
We show that for nanoparticles with giant polarizability $\alpha$ (a prominent example being the recently studied Na$_{14}$F$_{13}$ molecular clusters) van der Waals forces are significantly enhanced at interparticle distances shorter than…
Within the framework of staircase infinitely deep (SIW) potential well model the effect of dielectric constant mismatch between the size-quantized semiconducting wire, coating and surrounding environment on impurity binding energy is…
We discuss the scaling of the interaction energy with particle numbers for a harmonically trapped two-species mixture at thermal equilibrium experiencing interactions of arbitrary strength and range. In the limit of long-range interactions…
In this article, we unravel the problem of interpreting the density scaling exponent for the polyatomic molecules representing the real van der Waals liquids. Our studies show that the density scaling exponent is a weighted average of the…
Analogous to a model that predicts the linear scaling of the binding energy of a nucleus from the number of nucleons, a simple model was developed to account for the observed linear variation of the quantum-chemically computed total…
Understanding the structural tendencies of nanoconfined water is of great interest for nanoscience and biology, where nano/micro-sized objects may be separated by very few layers of water. Here we investigate the properties of ice confined…
The kinetics and microstructure of solid-phase crystallization under continuous heating conditions and random distribution of nuclei are analyzed. An Arrhenius temperature dependence is assumed for both nucleation and growth rates. Under…
A detailed investigation of the scaling relations recently proposed by [J. d'Albuquerque e Castro, D. Altbir, J. C. Retamal, and P. Vargas, Phys. Rev. Lett. 88, 237202 (2002)] to study the magnetic properties of nanoparticles is presented.…
Quantum confinement significantly influences the excited states of sub-10 nm single-walled carbon nanotubes (SWCNTs), crucial for advancements in transistor technology and the development of novel opto-electronic materials such as…