Related papers: Electronic-structure-induced deformations of liqui…
The superfluid response of nanoscale size quasi-2D He-4 droplets adsorbed on a graphite substrate is investigated by computer simulations. It is found that clusters comprising as few as 7 atoms are stable at temperatures lower than < 0.15…
Sapphire and rubies (undoped and Cr-doped $\alpha$-Al$_2$O$_3$ single crystals) have been deformed in compression at temperatures lower than those previously used in studies of dislocations in the basal slip plane (see part I). Above…
We theoretically study physical properties of one-dimensionally and regularly placed solutes. The solute is rigid-body, has arrow-like shape, and changes its direction up or down. If the solutes are immersed in continuum solvent, nothing…
Engineering the electronic band structure of two-dimensional electron liquids (2DELs) confined at the surface or interface of transition metal oxides is key to unlocking their full potential. Here we describe a new approach to tailoring the…
Absorption of radiation from the sodium dimer molecular states correlating to Na(3s)-Na(3s) is investigated theoretically. Vibrational bound and continuum transitions from the singlet X Sigma-g+ state to the first excited singlet A Sigma-u+…
We address the study of the thermodynamics of a crystalline solid by applying q-deformed algebras. We based part of our study by considering both Einstein and Debye models. We have mainly explored the q-deformed thermal and electric…
According to microscopic calculations with antisymmetrized molecular dynamics, we studied cluster features in stable and unstable nuclei. A variety of structure was found in stable and unstable nuclei in the $p$-shell and $sd$-shell…
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…
We have carried out extensive isokinetic {\it ab initio} molecular dynamic simulations to investigate the finite temperature properties of the impurity doped cluster Li$_6$Sn along with the host cluster Li$_7$. The data obtained from about…
To mimic the motion of biological swimmers in bodily fluids, a novel experimental system of micellar solubilization driven active droplets in a visco-elastic polymeric solution is presented. The visco-elastic nature of the medium,…
The collective structure of atomic nuclei intermediate between spherical and quadrupole deformed structure presents challenges to theoretical understanding. However, models have recently been proposed in terms of potentials which are soft…
Solid-state dewetting phenomenon in silver thin films offers a straightforward method to obtain structures having controlled shape or size -this latter in principle spanning several orders of magnitudes -- with potentially strong interest…
Molecular dynamics simulations and density functional theory calculations have been used to demonstrate the possibility of preserving high spin states of the magnetic cores within Ni-based core-shell bimetallic nanoalloys over a wide range…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
The dielectric properties of molecules or nanostructures are usually modified in a complex manner, when assembled into a condensed phase. We propose a first-principles method to compute polarizabilities of sub-entities of solids and…
In the increasingly active field of optofluidics, a series of experiments involving near-critical two-fluid interfaces have shown a number of interesting non-linear effects. We here offer, for the first time to our knowledge, an explanation…
The pronounced light-matter interactions in photonic crystals make them interesting as opto-fludic "building blocks" for lab-on-a-chip applications. We show how conducting electrolytes cause dissipation and smearing of the…
We report frozen patterns for the water droplets impacting on a cold substrate through fast-speed images. These patterns can be manipulated by several physical parameters (the droplet size, falling height, and substrate temperature), and…
An inhomogeneous electric field is used to study the deflection of a supersonic beam of water molecules. The deflection profiles show strong broadening accompanied by a small net displacement towards higher electric fields. The profiles are…