Calcium silicate hydrate (CSH) is a crucial component in cementitious materials which
greatly contributes to the strength and properties of cement-based concrete. However …

The empirical Neumann–Kopp rule (NKR) for the estimation of temperature dependence of
heat capacity of mixed oxide is analyzed. NKR gives a reasonable estimate of Cpm for most …

The P‐V‐T equation of state (EOS) of gold is the most frequently used pressure calibration
standard in high‐P‐T in situ experiments. Empirically proposed EOS models, however …

A systematic ab initio study within the density functional theory is employed to investigate the
structural, mechanical, elasto-acoustic, and anisotropic properties of AePdH 3 (Ae= Ca, Sr …

Recent advances in concrete industry have highlighted the need for accurate knowledge
about its nano-structure and mechanical properties. Cement, as the main material of …

A theoretical study of structural and electronic properties of MgO, CaO and SrO is presented
using the full-potential linearized augmented plane wave method. In this approach, the local …

Over the past few years, the excellent photoelectric properties of perovskite materials have
stimulated the interests of researchers to search for new perovskites and derivatives …

The elastic properties of six silicate garnet end members, among the most important rock-
forming minerals, are investigated here for the first time via accurate ab initio theoretical …

The contemporary status of experimental as well as theoretical advances within the special
view of structural phase transitions is reviewed. A brief outline of phase transitions and its …

Seismic shear anisotropy in the lowermost mantle most likely results from elastic shear
anisotropy and lattice preferred orientation of its constituent minerals, including perovskite …