Related papers: Structural and dynamical characteristics of mesosc…
We introduce a new criterion--based on multipole dynamical correlations calculated within Reptation Quantum Monte Carlo--to discriminate between a melting vs. freezing behavior in quantum clusters. This criterion is applied to small…
Depending on the pH value and salt concentration of Al2O3 suspensions different microstructures can form. Especially the clustered one is of major interest for industrial purposes as found in the production of ceramics. In this paper we…
The dynamics of dense finite-size particles in vertical channel flows of Newtonian and viscoelastic carrier fluids are examined using particle resolved simulations. Comparison to neutrally buoyant particles in the same configuration…
Abundance spectra of (CO$_2$)$_N$ clusters (up to $N \approx$ 500) acquired under a wide range of adiabatic expansion conditions are analyzed within the evaporative ensemble framework. Analysis reveals that cluster stability functions…
We report on the construction of a granular network of particles to study the formation, evolution and statistical properties of clusters of particles developing at the vicinity of a liquid-solid-like phase transition within a vertically…
Relativistic, charged, superheated bubbles may play an important role in neutron star mergers if first-order phase transitions are present in the phase diagram of Quantum Chromodynamics. We describe the properties of these bubbles in the…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…
The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure…
It is shown by computer simulations that superfluid {\it para}-hydrogen clusters of more than 22 molecules can be turned insulating and "solidlike" by the replacement of as few as one or two molecules, with ones of the heavier {\it…
We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n=4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with…
The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate…
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in small clusters of Si, Sn and Pb. As the number of atoms in a cluster is decreased, there is a marked shortening and stiffening of…
Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of Fe90Si3O7 liquid close to the Earth's liquid core conditions. The simulation…
Recent observations show that small, young, stellar groupings of ~10 to 40 members tend of have a centrally-located most massive member, reminiscent of mass segregation seen in large clustered systems. Here, we analyze hydrodynamic…
Hydrated excess protons under hydrophobic confinement are a critical component of charge transport behavior and reactivity in nanoporous materials and biomolecular systems. Herein excess proton confinement effects are computationally…
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…
The addition of small impurities, such as a single proton charge carrier, in noble gas clusters has recently been shown to have considerable effects on their geometries and stabilities. Here we report on a mass spectrometric study of…
High resolution spectroscopy of doped molecules in 4He nano-droplets and clusters gives a signature of superfluidity in microscopic system, termed as microscopic superfluidity. Ro-vibrational spectrum of 4HeN-M clusters is studied with the…
The emission of nuclear clusters is investigated within the framework of isospin dependent lattice gas model and classical molecular dynamics model. It is found that the emission of individual cluster which is heavier than proton is almost…
Motivated by contradicting reports in the literature, we have investigated the structural stability of tungsten nanoparticles using density functional theory calculations. The comparison of BCC, FCC, A15, disordered, and icosahedral…