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A kinetic Monte Carlo approach is developed for studying growth and evaporation of nanoparticles on/off nanotubes. This study has been motivated by recent experimental advances in using nanoparticle evaporation (sublimation) off nanoparticle-decorated nanotubes for nanoscale thermometry. We demonstrate that the considered kinetic Monte Carlo approach can reproduce features of the process that are not included in phenomenological thermodynamic modeling, as well as provide snapshots of the growth and evaporation process morphology.
In this contribution, we will present a review of our works on the time dependence of magnetization in nanoparticle systems starting from non-interacting systems, presenting a general theoretical framework for the analysis of relaxation curves which
Magnetic nanoparticles are useful biological probes as well as therapeutic agents. There have been several approaches used to model nanoparticle magnetization dynamics for both Brownian as well as Neel rotation. The magnetizations are often of intere
We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which reported smoot
We aim to provide engineers with an introduction to the non-equilibrium Greens function (NEGF) approach, which provides a powerful conceptual tool and a practical analysis method to treat small electronic devices quantum mechanically and atomisticall
We have used molecular dynamics simulations for a comprehensive study of phase separation in a two-dimensional single component off-lattice model where particles interact through the Lennard-Jones potential. Via state-of-the-art methods we have analy