Related papers: Acoustic modes in metallic nanoparticles: atomisti…
The article explores optical properties of nanostructures containing spherical gold nanoparticles of various radii. We explore the particle radius as a criterion to select a permittivity model aimed at describing optical absorption spectra…
Nanowires play a pivotal role across a spectrum of disciplines such as nanoelectromechanical systems, nanoelectronics, and energy applications. As nanowires continue to diminish in dimensions, their mechanical characteristics are…
We study the molecular mode coupling theory for a liquid of diatomic molecules. The equations for the critical tensorial nonergodicity parameters ${\bf F}_{ll'}^m(q)$ and the critical amplitudes of the $\beta$ - relaxation ${\bf…
Atomic scale friction, an indispensable element of nanotechnology, requires a direct access to, under actual growing shear stress, its successive live phases: from static pinning, to depinning and transient evolution, eventually ushering in…
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The…
We studied the frequency and quality factor of mechanical plasmonic nanoresonators as a function of temperature, ranging from ambient to 4 K. Our investigation focused on individual gold nanorods and nanodisks of various sizes. We observed…
We applied an efficient methodology to separate vibrational and configurational entropies in bulk metallic glasses by means of molecular dynamics simulation based on a combination of non-equilibrium adiabatic switching and reversible…
This Letter is motivated by some recent experiments on pan-cake shaped nano-samples of metallic glass that indicate a decline in the measured shear modulus upon decreasing the sample radius. Similar measurements on crystalline samples of…
We propose a continuum model to predict long-wavelength vibrational modes of empty and liquid-filled tubules that are very hard to reproduce using the conventional force-constant matrix approach based on atomistic ab initio calculation. We…
Nematic liquid crystals exhibit both crystal-like and fluid-like features. In particular, the propagation of an acoustic wave shows an unexpected occurrence of some of the solid-like features at the hydrodynamic level, namely, the…
This paper presents a three-dimensional analytical study of the intrinsic free vibration of an elastic multilayered hollow sphere interacting with an exterior non-Newtonian fluid medium. The fluid is assumed to be characterized by a…
We report the effects of reducing surface asperity size at the nanometer scale on metallic surfaces by plasma-assisted surface modification processes using simulations and experiments. Molecular dynamics (MD) simulations were conducted by…
Size effects on vibrational modes in complex crystals remain largely unexplored, despite their importance in a variety of electronic and energy conversion technologies. Enabled by advances in a four-probe thermal transport measurement…
A theoretical description of the weakly nonlinear and mode-dependent dynamics of a nanoscale beam that is under intrinsic tension is developed. A full analysis of the dynamic range of the beam over a wide range of conditions is presented.…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
In order to clarify the relationship between the phonon spectra of nanoparticles and their melting temperature, we studied in detail the size-dependent low energy vibration modes. A minimum model with atoms on a lattice and harmonic…
We investigate how vibration affects molecular photoemission dynamics, through simulations on two-dimension asymmetric model molecules including the electronic and nuclear motions in a fully correlated way. We show that a slight anisotropy…
The accurate determination of the elastic properties is non-trivial for metallic foils. The measured elastic modulus is often described in literature as significantly smaller than the respective modulus of the bulk counterparts. This paper…
Recent advances in monochromatic aberration corrected electron microscopy make it possible to detect the lattice vibration with both high-energy resolution and high spatial resolution. Here, we use sub-10 meV electron energy loss…
In this article we present a novel semi-analytical approach to calculate first-order electron-vibration coupling constants within the framework of density functional theory. It combines analytical expressions for the first-order derivative…