Related papers: Characterization of Pd and Pd@Au core-shell nanopa…
We present results for the optical absorption spectra of small-diameter single-wall carbon and boron nitride nanotubes obtained by {\it ab initio} calculations in the framework of time-dependent density functional theory. We compare the…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
Being inspired by a recent study [V. Dimitriadis et al. Phys. Rev. B \textbf{92}, 064420 (2015)], we study the finite temperature magnetic properties of the spherical nanoparticles with core-shell structure including quenched (i) surface…
We present a method for recovery of narrow homogeneous spectral features out of broad inhomogeneous overlapped profile based on second-derivative processing of the absorption spectra of alkali metal atomic vapor nanocells. The method is…
A study of the $\lambda$- and $N$-atomic configurations under dipolar interaction with $2$ modes of electromagnetic radiation is presented. The corresponding quantum phase diagrams are obtained by means of a variational procedure. Both…
Defects and reconstructions in 2D moir\'e materials cause out-of-plane deformations which strongly modify their electronic properties but are difficult to experimentally access. Here, we solve the 3D atomic coordinates of twisted bilayer…
Microscopic signatures of nuclear ground-state shape phase transitions in odd-mass Eu isotopes are explored starting from excitation spectra and collective wave functions obtained by diagonalization of a core-quasiparticle coupling…
We present a detailed study of the interface morphology of an electro-deposited (ED) Ni/Cu bilayer film by using off-specular (diffuse) neutron reflectivity technique and Atomic Force Microscopy (AFM). The Ni/Cu bilayer has been…
Laser ablation of Al-Ni alloys and Al films on Ni substrates has been studied by molecular dynamics simulations (MD). The MD method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons…
In this work we perform atomistic model potential molecular dynamics simulations by means of state-of-the art force-fields to study the implantation of a single Au nanocluster on a Polydimethylsiloxane substrate. All the simulations have…
It is far well accepted that the morphology of nanoparticles and nanoalloys is of paramount importance to understand their properties. Furthemore, the morphology depends on the growth mechanism with coalescence generally accepted as one the…
Neutron-rich Nd and Sm isotopes are known to exhibit shape phase transition as a function of neutron number. Among them, $^{150}$Nd and $^{150}$Sm are important not only because they are transitional nuclei, but also the parent and daughter…
Au nanoparticles, prepared by thermal evaporation under high vacuum condition on Si substrate, are irradiated with Au ions at different ion energies. During ion irradiation, embedding of nanoparticles as well as ejection of nano-clusters is…
We study lead nanodroplets containing 147 to 1415 atoms at temperatures ranging from the bulk melting point up to the beginning of the evaporation regime. Molecular dynamics simulation and an embedded atom potential are used. The…
Pd nanoalloys show great potential as hysteresis-free, reliable hydrogen sensors. Here, a multi-scale modeling approach is employed to determine optimal conditions for optical hydrogen sensing using the Pd-Au-H system. Changes in hydrogen…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
Near-fields around nanophotonic structures and waveguides can be used to optically interface particles ranging from atoms and molecules to microscopic biological and synthetic particles. Due to the strong, non-linear dependence of the…
Liquid adsorption in nanoporous materials induces their deformation due to strong capillary forces. The linear relationship between the liquid pressure and the solid strain (pore-load modulus) provides an experimental technique to determine…
Bimetallic nanoparticles are widely studied, for example in catalysis. However, possible restructuring in the environment of use, such as segregation or alloying, may occur. Taken individually, state-of-the-art analytical tools fail to give…
Measurements of two-particle correlations on transverse momentum $p_t$ for Au-Au collisions at $\sqrt{s_{NN}} = 130$ GeV are presented. Significant large-momentum-scale correlations are observed for charged primary hadrons with $0.15 \leq…