Curves clustering with approximation of the density of functional random variables

Funclust: A curves clustering method using functional random variables density approximation

A B INITIO CALCULATION OF THE KC1 PHONON FREQUENCIES

We have calculated the phonon frequencies of KC1 along symmetry directions using an approach which is a combination of the frozen phonon and force constants methods. We also calculated Griineisen parameters for all modes at X and L points in the Brillouin zone. Finally, the slope of acoustic dispersion curves around zone center were used to calculate the three independent elastic coefficien...

Ab-initio study of Electronic, Optical, Dynamic and Thermoelectric properties of CuSbX2 (X=S,Se) compounds

Abstract: In this work we investigate the electronic, optical, dynamic and thermoelectric properties of ternary copper-based Chalcogenides CuSbX2 (X= S, Se) compounds. Calculations are based on density functional theory and the semi-classical Boltzmann theory. Computations have been carried out by using Quantum-Espresso (PWSCF) package and ab-initio pseudo-potential technique. To estimate the e...

Propagation Models and Fitting Them for the Boolean Random Sets

In order to study the relationship between random Boolean sets and some explanatory variables, this paper introduces a Propagation model. This model can be applied when corresponding Poisson process of the Boolean model is related to explanatory variables and the random grains are not affected by these variables. An approximation for the likelihood is used to find pseudo-maximum likelihood esti...

Theoretical Study of Polyethylene Crystallization Using Modified Weighted Density Approximation (MWDA)

      In this article, the crystallization of polyethylene is investigated by the modified weighted density approximation. Also, a direct correlation function of polyethylene based on the RISM theory is used. The free energy of a polyethylene is calculated using the density functional theory. The crystallization and also the solid and liquid densities of polyethylene are calculated and compared...