Related papers: Melting Point and Lattice Parameter Shifts in Supp…
The dynamic phase diagram of vortex lattices driven in disorder is calculated in two and three dimensions. A modified Lindemann criterion for the fluctuations of the distance of neighboring vortices is used, which unifies previous analytic…
We present a detailed molecular-dynamics study of the melting, freezing, and coalescence of gold nanoclusters within the framework of the embedded-atom method. Concerning melting, we find the process to first affect the surface…
The melting of elemental solids is modelled as a dislocation-mediated transition on a lattice. Statistical mechanics of linear defects is used to obtain a new relation between melting temperature, crystal structure, atomic volume, and shear…
The existence of shell structure and the accompanying high degeneracy of electronic levels leads to the possibility of strong superconducting pairing in metallic nanoclusters with N~100-1000 delocalized electrons. The most favorable cases…
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 vortex lattice (VL) in the high-kappa superconductor YBa2Cu3O7, at 2 K and with the magnetic field parallel to the crystal c-axis, undergoes a sequence of transitions between different structures as a function of applied magnetic field.…
A simple model based on the concept of resonant tunnelling clusters of lattice defects is used to explain the low temperature anomalies of hcp 4He crystals (mass decoupling from a torsional oscillator, shear modulus anomaly, dissipation…
Phase transitions in zero-temperature 3D Z(N) lattice gauge theories are studied. We use a cluster algorithm defined for the dual formulation of the models. We also attempt to explain the nature of the intermediate continuously symmetric…
We investigate experimentally the collective behavior of a wet granular monolayer under vertical vibrations. The spherical particles are partially wet such that there are short-ranged attractive interactions between adjacent particles. As…
The variational cluster approximation proposed by Potthoff is applied to the calculation of the single-particle spectral function of the transition metal oxides MnO, CoO and NiO. Trial self-energies and the numerical value of the…
We have investigated anomalous lattice behavior of metal organic framework compound AgC8N5on application of pressure and temperature using ab-initio density functional theory calculations. The van der Waals dispersion interactions are found…
The phonon thermal contribution to the melting temperature of nano-particles is inspected. The discrete summation of phonon states and its corresponding integration form as an approximation for a nano-particle or for a bulk system have been…
We investigate the localization and clustering features in $^{20}$Ne ($N=Z$) and neutron-rich $^{32}$Ne nuclei at zero and finite temperatures. The finite temperature Hartree-Bogoliubov theory is used with the relativistic density-dependent…
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…
Physical adsorption of atoms, molecules and clusters on surface is known. It is linked to many phenomena in physics, chemistry, and biology. Usually the studies of adsorption are limited to the particle sizes of up to ~10^2-10^3 atoms.…
The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…
We report the results of a large scale computer simulation of a binary supercooled Lennard-Jones liquid. We find that at low temperatures the curves for the mean squared displacement of a tagged particle for different temperatures fall onto…
Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as…
Ni-based superalloys have been the subject of enormous usage in scenarios where the loading is heavy and often occurs at elevated temperatures. The strengthening mechanisms that come into play within the metallic lattice have been studied…
We study the pairing instability of a two-dimensional metallic system induced by Ising-nematic quantum fluctuations in the presence of an unavoidable relevant coupling of the nematic order parameter to the elastic modes (acoustic phonons)…