Technological advancements have consistently been accompanied by significant progress
in materials science, with alloys serving as fundamental elements in engineering design …

A method combining molecular dynamics (MD) and Monte Carlo (MC) simulation is used to
analyze the short-range ordering and grain boundary (GB) segregation in the bi-crystals of …

In recent years, high-entropy alloys (HEAs) have attracted research attention because of
their promising properties of high strength at elevated temperatures and high resistance to …

The thermodynamic properties of natural carrollite with a formula Cu 0.92 Co 2.07 S 4 are
studied using low temperature heat capacity and high temperature oxidative solution …

Mixed polyanionic compounds have been studied extensively as viable cathode materials
for sodium-ion batteries. Mixed phosphates, Na4M3 (PO4) 2P2O7 (M= Mn2+, Fe2+, Co2+ …

The paper analyzes the relationships among acid–base interactions in various oxide
systems and their thermodynamics. Extensive data on enthalpies of solution of binary oxides …

The Aurivillius compounds in the Bi2O3–Fe2O3–TiO2 system, combining ferroelectric,
semiconducting, and ferromagnetic properties, have attracted particular interest. Formation …

Surface energetics of zinc sulfide nanoparticles determines their structure, properties, and
occurrence. Using a combination of experimental techniques, we investigated the …

Iron sulfide minerals are widespread on Earth and likely in planetary bodies in and beyond
our solar system. Using measured enthalpies of formation for three magnetic iron sulfide …

State-of-the-art high temperature oxide melt solution calorimetry and density functional
theory were employed to produce the first systematic study of thermodynamic stability in a …