Geopolymers are hydrated aluminosilicates with excellent binding properties. Geopolymers appeal to the construction sector as a more sustainable alternative to traditional cements, but their exploitation is limited by a ...

Ferroelectric nematic liquid crystals are currently being subject to a plethora of investigations since they are of great fundamental interest and could potentially foster promising applications. However, many basic aspects ...

Recent advances in the theoretical description of dynamic screening and electron dynamics in metallic media are reviewed. The time-dependent building-up of screening in different situations is addressed. Perturbative and ...

We present it ab initio calculations of the electronic energy loss of charged particles moving outside a magnesium surface, from a realistic description of the one-electron band structure and a full treatment of the dynamical ...

We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the Perdew-Burke-Ernzerhof ...

In this paper we analyze the spatial distribution of elements around points of interest. Based on a spatial exclusion principle we model the system by means of a Fermi–Dirac distribution defined by two easily interpretable ...

First-principles calculations' of the inelastic lifetime of low-energy electrons in Al, Mg, Be, and Cu are reported. Quasiparticle damping rates are evaluated from the: knowledge of the electron self-energy, which we compute ...

We present a new efficient numerical approach for representing anisotropic physical quantities and/or matrix elements defined on the Fermi surface (FS) of metallic materials. The method introduces a set of numerically ...

The total emissivity of the absorbing surfaces is a critical parameter in the calculation of the radiative thermal losses in solar thermal collectors. This is because the radiative heat losses have a significant economic ...

KIMERA is a scientific tool for the study of mineral dissolution. It implements a reversible Kinetic Monte Carlo (KMC) method to study the time evolution of a dissolving system, obtaining the dissolution rate and information ...