Sentence examples for free density from inspiring English sources

Porosity of hardened pervious concrete was determined using the void free density (T) and measured density (D) of the concrete mixes, using the Eq. (1) {text{Porosity}}, = 100 times ({text{T}}-{text{D}})/{text{T}}.

Orbital-free density functional theory (OFDFT) is a linear-scaling first-principles quantum mechanics method used to calculate the ground-state energy of a given system.

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT).

We present an Augmented Lagrangian formulation and its real-space implementation for non-periodic Orbital-Free Density Functional Theory (OF-DFT) calculations.

In this study, we employ first-principles orbital-free density functional theory (OFDFT) to study plastic properties of body-centered-cubic (bcc) Mg Li alloys as potential lightweight metals for use in, e.g., vehicle applications.

We next study the convergence properties of higher-order finite-element discretizations of orbital-free density functional theory by considering benchmark problems that include calculations involving both pseudopotential as well as Coulomb singular potential fields.

We consider the Tucker-type decomposition of the electron density of certain Aluminium clusters originating from finite element calculations in the framework of the orbital-free density functional theory.

Parameter-free density functional theory calculations are used to provide theoretical guidance in selecting and optimizing Ti-based alloys with respect to three constraints: (i) the use of non-toxic alloy elements; (ii) the stabilization of the body centered cubic β-phase at room temperature; (iii) the reduction of the elastic stiffness compared to existing Ti-based alloys.

Chemical specificity is preserved thanks to a systematic multiscale approach that commences at the parameter-free density functional level of quantum theory, transferring key data through all-atom classical MD to a coarse-grained dynamical representation that permits the study of the fundamental processes that determine the unusual materials properties of clay polymer nanocomposites.

In the present work, we study various numerical aspects of higher-order finite-element discretizations of the non-linear saddle-point formulation of orbital-free density-functional theory.

In addition it has potential value as a radiation-free density-estimation technique suitable for use from a young age in radiation-susceptible women.