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The development of high-performance biomedical implants requires a deep understanding of the molecular interactions between water molecules and titanium (Ti) surfaces. In this study, fully atomistic molecular dynamics simulations were used…
Recent decades have witnessed the breakthroughs in utilizing electron beams as the smallest tools to tailor materials. Whereas, the manipulation of atoms in a controllable manner by the electron beams is a long-time challenge due to the…
Nanoparticles (NPs) are fundamental building blocks for engineering functional soft materials, where precise control over the solvent-mediated inter-particle effective interaction (Ueff) is essential for tailoring bulk structure and…
Ionization of matter by energetic radiation generally causes complex secondary reactions which are hard to decipher. Using large helium nanodroplets irradiated by XUV photons, we show that the full chain of processes ensuing primary…
We use hexagonal mesophases made of oil-swollen surfactant-stabilized tubes arranged on a triangular lattice in water and doped with metallic salts as templates for the radiolytic synthesis of nanostructures. The nanostructures formed in…
We report on a nanoscale patterning method on Si substrates using self-assembled metal islands and low-energy ion-beam irradiation. The Si nanostructures produced on the Si substrate have a one-to-one correspondence with the self-assembled…
Ionic Coulomb blockade in nanopores is a phenomenon that shares some similarities but also differences with its electronic counterpart. Here, we investigate extensively this phenomenon using all-atom molecular dynamics of ionic transport…
All electronic, optoelectronic or photovoltaic applications of silicon depend on controlling majority charge carriers via doping with impurity atoms. Nanoscale silicon is omnipresent in fundamental research (quantum dots, nanowires) but…
Nanopores made with low dimensional semiconducting materials, such as carbon nanotubes and graphene slit pores, are used in supercapacitors. In theories and simulations of their operation, it is often assumed that such pores screen ion-ion…
Severe plastic deformation of powder blends consisting of SmCo5-Cu results in magnetically hardened nanocomposite bulk materials. The microstructure is continuously refined with increasing torsional deformation, yet, coercivity saturates at…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
The effects of ion beam induced atomic mixing and subsequent thermal treatment in Si/C multilayer structures are investigated by use of the technique of grazing incidence X-ray diffraction (GIXRD) and Raman spectroscopy. The [Si (3.0 nm) /…
Gold-silica hybrids are appealing in different fields of applications like catalysis, sensors, drug delivery, and biotechnology. In most cases, the morphology and distribution of the hetero-units play significant roles in their functional…
We discuss recent theoretical developments in low-energy heavy-ion reactions. To this end, we put emphasis on a viewpoint of probing nuclear shapes with heavy-ion reactions. We first discuss a single-channel problem with an optical…
Core-shell nanoparticles, particularly those having a gold core, have emerged as a highly promising class of materials due to their unique optical and thermal properties, which underpin a wide range of applications in photothermal therapy,…
Reflection of near-infrared light is important for preventing heat transfer in energy saving applications. A large-area, mass-producible reflector that contains randomly distributed disk-shaped silver nanoparticles and that exhibits high…
Nanocrystalline materials have been proposed for use in future fusion reactors due to their high grain boundary density that may act as a sink for irradiation-induced defects. We use molecular dynamics to model collision cascades in…
Since the early work by Ashkin in 1970, optical trapping has become one of the most powerful tools for manipulating small particles, such as micron sized beads or single atoms. The optical trapping mechanism is based on the interaction…
An aqueous suspension of silica nanoparticles or nanofluid can alter the wettability of surfaces, specifically by making them hydrophilic and oil-repellent under water. Wettability alteration by nanofluids have important technological…
Electron beam induced deposition (EBID) currently provides the only direct writing technique for truly three-dimensional nanostructures with geometrical features below 50 nm. Unfortunately, the depositions from metal-organic precursors…