Micro-alloying design of wrought magnesium (Mg) alloys is an important strategy to achieve
high mechanical properties at a low cost. In the last two decades, significant progress has …

In this paper we discuss the various models that have been used to predict whether a
material will tend to be ductile or brittle. The most widely used is the Pugh ratio, G/K, but we …

The investigations on the physical properties of the Ba 2 NaIO 6 double perovskite, in this
work, are presented. These investigations are carried out using WIEN2k computational code …

Cross phenomena, representing responses of a system to external stimuli, are ubiquitous
from quantum to macro scales. The Onsager theorem is often used to describe them, stating …

Thermodynamics is the key component of materials science and engineering. The
manifestation of thermodynamics is typically represented by phase diagrams, traditionally for …

Using the projector-augmented wave method within the generalized gradient approximation,
a systematic first-principles calculation for energy vs. volume (E–V) equations of state …

We present a comprehensive first-principles study on the physical properties of the lead-free
double perovskites halides, Cs 2 LiYX 6 (X= Br, I). Our calculated results of lattice constants …

A first-principles approach to calculating the elastic stiffness coefficients at finite
temperatures was proposed. It is based on the assumption that the temperature dependence …

Outstanding mechanical properties of Ni-based superalloy benefit from its coherent
γ/γ'structure via precipitation strengthening of γ matrix (FCC structure) by L1 2 Ni 3 Al-type …

The metastable β′ phase is a key strengthening precipitate phase in a range of Mg–RE
(RE: rare-earth elements) based alloys. The morphology of the β′ precipitates changes …