相关论文: Electrodynamics - molecular dynamics simulations o…
The activity and stability of a platinum nanoparticle (NP) is not only affected by its size but additionally depends on its shape. To this end, simulations can identify structure-property relationships to make a priori decisions on the most…
The changes of magnetic properties upon heat treatment of a metastable supersaturated solid solution processed by severe plastic deformation are investigated by in-situ AC-hysteresis measurements. Data are analyzed in the framework of…
Neutralization probabilities are presented for hyperthermal energy Na+ ions scattered from a Cu(001) crystal as a function of surface temperature and scattered velocity. A large enhancement in neutralization is observed as the temperature…
Using nonequilibrium computer simulations, we study the response of ferromagnetic nanofilaments, consisting of stabilized onedimensional chains of ferromagnetic nanoparticles, under external rotating magnetic fields. In difference with…
In view of better characterizing possible quantum effects in the dynamics of nanometric particles, we measure the effect on the relaxation of a slight heating cycle. The effect of the field amplitude is studied; its magnitude is chosen in…
We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recently observed by Transmission Electron Microscopy (TEM). The…
By classical and path-integral molecular dynamics simulations, we study the pressure-temperature ($P$-$T$) phase diagram of LaH$_{10}$ to clarify the impact of temperature and atomic zero-point motions. We calculate the XRD pattern and…
In this work, we study the effect of dipole-dipole interparticle interactions on the static thermodynamic and magnetic properties of an ensemble of immobilized monodisperse superparamagnetic nanoparticles. We assume that magnetic…
In order to investigate the dependence of conditioning and field-holding on temperature, three pairs of copper electrodes underwent high voltage conditioning with direct current (DC) pulses while kept at a single temperature, unique for…
Understanding and controlling the flow of heat is a major challenge in nanoelectronics. When a junction is driven out of equilibrium by light or the flow of electric charge, the vibrational and electronic degrees of freedom are, in general,…
We analyze the dynamics of crystal surfaces in the presence of electromigration. From a phase field model with a migration force which depends on the local geometry, we derive a step model with additional contributions in the kinetic…
We have obtained effective medium theory (EMT) interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions. We…
This study investigates the molecular-level mechanism of Alternating Current Electrohydrodynamic (AC-EHD) flow in nanopores under high-frequency conditions, using molecular dynamics simulations. A gold-NaCl system with symmetric and…
Nanostructures have the immense potential to supplant the traditional metallic structure as they show enhanced mechanical properties through strain hardening. In this paper, the effect of grain size on the hardening mechanism of Al-Cu…
The work is dedicated to the development of the electron-lattice energy exchange theory in metal particles and it dependence of on particle size and electron temperature. We obtained the expressions for the constants of the electron-lattice…
The femtosecond evolution of the electronic temperature of laser-excited gold nanoparticles is measured, by means of ultrafast time-resolved photoemission spectroscopy induced by extreme-ultraviolet radiation pulses. The temperature of the…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
Much scientific and practical interest is currently focused on the atomic-scale mechanical behaviors of metallic nanocrystals with different crystal structures at room temperature, while the high-temperature plastic deformation in tungsten…
Understanding the stability mechanism of surface micro/nanobubbles adhered to gas-evolving electrodes is essential for improving the efficiency of water electrolysis, which is known to be hindered by the bubble coverage on electrodes. Using…
Understanding the role of confinement while crystallizing nanocrystals is very relevant for predicting their structure and physical properties. With this aim we perform Langevin dynamics simulations of nanocrystals of the model system of…