Related papers: Effective potentials between gold nano crystals --…
The electron temperature dependent electron density of states, Fermi-Dirac distribution, and electron-phonon spectral function are computed as prerequisites before achieving effective electron-phonon coupling factor. The obtained coupling…
We investigate the dependency of electrostatic interaction forces on applied potentials in Electrostatic Force Microscopy (EFM) as well as in related local potentiometry techniques like Kelvin Probe Microscopy (KPM). The approximated…
We discuss the concept and design of effective atom-atom potentials that accurately describe any physical processes involving only states around the threshold. The existence of such potentials gives hope to a quantitative, and systematic,…
Atomistic simulations are performed to study the statistical mechanical property of gold nanoparticles. It is demonstrated that the yielding behavior of gold nanoparticles is governed by dislocation nucleation around surface steps. Since…
Molecular dynamics computer simulations which employ the embedded-atom potential show that nanowires of gold exist as multishelled structures. We simulate double-walled gold nanowires and calculate the capacitance of a finite nanometer-size…
The quantum size oscillations of the energetic properties and the elongation force of the gold slabs and wires, isolated and in a contact with electrodes, are calculated in a free-electron model. A simple relation between the Fermi energy…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
The liquid-gas phase transition for homogeneous symmetric nuclear matter is studied in the mean-field approximation. Critical properties are computed using a comprehensive group of Skyrme and Gogny forces in an effort to elucidate the…
The combination of nanodiamonds with plasmonic metal particles is being explored for synergic effects that can enhance biosensing and antibacterial treatments, energy harvesting, photocatalysis, and quantum centres. Here we systematically…
The electronic properties of chemically functionalized nanodiamonds are studied using density functional theory calculations. HOMO-LUMO gap and relative stabilities are calculated for different surface functionalization schemes and diamond…
Phase field crystal (PFC) theory, extensively used for modelling the structure of solids, can be derived from dynamical density functional theory (DDFT) via a sequence of approximations. Standard derivations neglect a term of form…
We utilize experimental tools such as conductive atomic force microscopy and electrostatic force microscopy on photo-excited arrays of gold nanoparticles on indium tin oxide substrate. The nanoparticles are partially covered by a thin…
We show that the Casimir-Polder potential of a particle in an energy eigenstate at nonretarded distance from a well-conducting body of arbitrary shape is independent of the environment temperature. This is true even when the thermal photon…
A nonlocal phase-field crystal (NPFC) model is presented as a nonlocal counterpart of the local phase-field crystal (LPFC) model and a special case of the structural PFC (XPFC) derived from classical field theory for crystal growth and…
We present a numerical model allowing to determine the electron and lattice temperature dynamics in a gold nanoparticle under subpicosecond pulsed excitation, as well as that of the surrounding medium. For this, we have used the…
Structured, periodic optical materials can be used to form photonic crystals capable of dispersing, routing, and trapping light. A similar phenomena in periodic elastic structures can be used to manipulate mechanical vibrations. Here we…
The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has received scant attention in the literature, particularly for…
Optical properties of polymer capped gold nanoparticles of various sizes (diameter 3-6 nm) have been studied. We present a new scheme to extract size dependent variation of total dielectric function of gold nanoparticles from measured…
We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…
Aiming at fabrication of hybrid plasmonic-photonic crystals, gel-immobilized colloidal crystals made of a polystyrene colloidal suspension and an N-(Hydroxy methyl)acrylamid-based gel were immersed into an aqueous dispersion of gold…