CALPHAD approach is a very useful technique to reproduce the phase diagram of bulk
materials with thermodynamic database such as chemical potentials of pure substances and …

Up till now, there have been extremely contradictory opinions and inadequate results
concerning surface segregation in binary platinum–palladium (Pt–Pd) nanoparticles …

The effect of Ta on the microstructure stability of powder metallurgy (PM) Ni-base superalloy
was examined at standard heat treatment and after long-term thermal exposure. The results …

An approach combining thermodynamic and atomistic (molecular dynamics) simulations has
been applied to predict surface segregation in binary metal A–B nanoparticles (Cu–Ni and …

Earlier we put forward a hypothesis about relationship between the spontaneous surface
segregation of one of the components of binary AB nanoparticles and stability/instability of …

Using an analytical method that uses the paired potential of the Mie–Lennard-Jones
interatomic interaction, the properties of gold (fcc-Au) are calculated in the range of …

An approach combining atomistic molecular dynamics (MD) and thermodynamic simulations
has been applied to predict the distribution of components in binary Ni–Cu and Au–Ag …

Abstract The Cometary Secondary Ion Mass Analyzer (COSIMA) onboard ESA's Rosetta
orbiter has revealed that dust particles in the coma of comet 67P/Churyumov-Gerasimenko …

Nanoparticles often possess phase stabilities that differ from those of bulk materials, as a
result of their large surface-to-volume ratio. Park and Lee suggested that the phase diagram …

The thermodynamic properties of bcc and fcc iron phases are calculated at the temperature
of the polymorphic bcc–fcc phase transition using the method of calculating properties of a …