The present overview is intended to point the readers' attention to the important subject of
calcium orthophosphates (CaPO 4). This type of materials is of the special significance for …

Abstract Nanohydroxyapatite (n-HAP), recognized by its peculiar crystal architecture and
distinctive attributes showcased the underlying potential in adsorbing heavy metal ions …

During the current study, structural, electrical, elastic, and thermal properties of TM 5 Si 3 N
(TM= V, Nb, and Ta) Nowotny phase were researched using first-principles calculations. The …

We utilized the WIEN2K code within the DFT framework to comprehensively investigate Ba 2
WBˈO 6 (Bˈ= Mn, Fe, Co, Ni, Zn) double perovskite compounds. Structural stability …

The first-principles calculations are employed herein to predict the electronic, elastic, and
thermal properties, fracture toughness, and damage tolerance of TM 5 Si 3 B (TM= V and …

The first-principles calculations were used to predict the anisotropic elasticity and thermal
properties of hexagonal (hP4-WB 3, hP8-WB 3 and hP16-WB 3) and trigonal (hR24-WB 3) …

First-principles method is performed to systematically investigates structural, phase stability
and mechanical properties for the Laves phases MCo 2 (M= Sc, Ti, Y, Zr, Nb, Hf, Ta) with …

In the present work, we performed the first-principles calculations to investigate the phase
stabilities, elastic anisotropies and thermal conductivities of WB 2 in hexagonal, trigonal and …

The effects of temperature and pressure on the mechanical and thermodynamic properties
of TM (TM= V, Nb, Ta) 2 CrB 2 borides were studied by first-principles. The enthalpy of …

Apatite readily incorporates volatile and trace elements in its structure, and thus carries a
record of pre-eruptive melt-fluid chemical and physical processes that play critical roles in …