Related papers: A potential inversion study of liquid CuBr
We performed extensive molecular dynamics (MD) simulations, supplemented by Mode Coupling Theory (MCT) calculations, for the Square Shoulder (SS) model, a purely repulsive potential where the hard-core is complemented by a finite shoulder.…
We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The numerical solution of MCT is calculated for the first time…
We invert experimental data for heavy-ion fusion reactions at energies well below the Coulomb barrier in order to directly determine the internucleus potential between the colliding nuclei. In contrast to the previous applications of the…
We extend the analysis of Gabor transforms on a Cosmic Microwave Background (CMB) temperature map (Hansen, Gorski and Hivon 2002) to polarisation. We study the temperature and polarisation power spectra on the cut sky, the so-called pseudo…
We carry out computer simulations of a simple, two-dimensional off-lattice model that exhibits inverse melting. The monodisperse system comprises core-softened disks interacting through a repulsive square shoulder located inside an…
Spin-singlet Cooper pairs consisting of two electrons with opposite spins cannot directly penetrate from a superconductor to a half-metal (fully spin polarized ferromagnets) which blocks the superconducting proximity effect between these…
We present a theoretical treatment of Bragg scattering of a degenerate Fermi gas in the weakly interacting BCS regime. Our numerical calculations predict correlated scattering of Cooper pairs into a spherical shell in momentum space. The…
Using molecular dynamics simulations with embedded atom model potential, we study structural evolution of ${\rm Cu_{64.5}Zr_{35.5}}$ alloy during the cooling in a wide range of cooling rates $\gamma\in(1.5\cdot 10^{9},10^{13})$ K/s.…
The atomic pair distribution functions (PDF) of four powder samples of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means of pulsed neutron diffraction. The PDF is modelled using a full-profile fitting approach to…
It is shown that neutrino and antineutrino deep inelastic scattering of unpolarized and polarized $\Lambda$ and $\bar{\Lambda}$ productions, can provide a clean separation of unpolarized and polarized fragmentation functions of a quark into…
Analyses using simplified coupled-channels models have been unable to describe the shape of the previously measured fusion barrier distribution for the doubly magic $^{16}$O+$^{208}$Pb system. This problem was investigated by re-measuring…
We estimate locations of the regions of the percolation and of the non-percolation in the plane $(\lambda,\beta)$: the Poisson rate -- the inverse temperature, for interacted particle systems in finite dimension Euclidean spaces. Our…
The short and intermediate-range order in GeO$_2$ glass are investigated by molecular dynamics using machine-learning interatomic potential trained on ab initio calculation data and compared with reverse Monte Carlo fitting of neutron…
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data is also presented. We focus on the analysis of thermal…
Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is…
Angular-resolved photoemission data on half-filled doped cuprate materials are compared with an exact-diagonalization analysis of the three-band Hubbard model, which is extended to the infinite lattice by means of a perturbation in the…
The method of relativistic molecular dynamics is applied for accurate computational modelling and numerical analysis of the channelling phenomena for 855 MeV electrons in bent oriented silicon (111) crystal. Special attention is devoted to…
In this article mixed CuInP$_2$(S$_x$Se$_{1-x}$)$_6$ crystals were investigated by broadband dielectric spectroscopy (20 Hz - 3 GHz). The complete phase diagram has been obtained from these results. The phase diagram of investigated…
First-principle based molecular-dynamics simulations have been performed for binary Cu$_x$Ti$_{1-x}$ (x = 0.31, 0.50, and 0.76) alloys to investigate the relationship between local structure and dynamical properties in the liquid and…
We have carried out molecular dynamics simulations to understand the dynamics of a tagged pair of atoms in a strongly non-ideal glass-forming binary Lennard-Jones mixture (commonly known as Kob-Andersen model). The generalized…