CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

High-throughput thermodynamic computation and experimental study of solid-state phase transitions in organic multicomponent orientationally disordered phase change materials for thermal energy storage

Electronic and structural properties of low-index L12–Al3Zr surfaces by first-principle calculations

Experimental determination and thermodynamic evaluation of low-temperature phase equilibria in the Fe–Ni binary system

A general model to calculate coherent solid/solid and immiscible liquid/liquid interfacial energies

Thermodynamic description of the Gd2O3-Y2O3-HfO2 and La2O3-Y2O3-HfO2 systems at high temperatures

Experimental investigation of phase transformations in the La-Fe and La-Fe-C systems

Thermodynamic description of the Nd-Fe-B ternary system

Atomic mobilities and diffusivities in fcc Co–X (X = Mn, Pt and Re) alloys

Critical review of phase equilibria in the Ni-Si-Zn ternary system and its thermodynamic description supported by first-principles calculations

Thermodynamic and experimental study of cobalt-based alloys designed to contain TiC carbides

Precipitation kinetic model and its applications to Mg alloys

High-throughput thermodynamic screening of carbide/refractory metal cermets for ultra-high temperature applications

Phase equilibria in LaBr3-TlBr pseudobinary system. Thermodynamic assessment of LaBr3-MBr (M = Li, Na, K, Rb, Cs, Tl) pseudobinary systems

Thermodynamic constitution of the Al–Cu–Ni system modeled by CALPHAD and ab initio methodology for designing high entropy alloys

Sublimation enthalpies of terbium and lutetium triiodides and formation enthalpies of their monomer and dimer molecules

Application of the modified BET model to concentrated salt solutions with relatively high water activities: Predicting solubility phase diagrams of NaCl + H2O, NaCl + LiCl + H2O, and NaCl + CaCl2 + H2O

Thermodynamic assessment and glass forming ability prediction of the Zr-Fe-Cu system

Assessments of molar volumes of Co-, Ni- and Ti- related bcc and fcc phases

A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases

Thermodynamic optimization of the Al2O3–FeO–Fe2O3–SiO2 oxide system

Thermodynamic optimization of the PbO–FeO–Fe2O3–SiO2 system

The theoretical and experimental study of the Sb-Sn nano-alloys

Measurement of phase equilibria in Zr-Ni-Sc ternary system

Thermodynamic modelling of Al-B-N system

Thermodynamic modeling of the Ni–Nb–V ternary system

Experimental investigation of phase equilibria in the Tb-Si-Cr system

Introduction to proceedings of the workshop on Knudsen Effusion Mass Spectrometry

Vaporization studies on sodium oxide

Emulation of short-range ordering within the compound energy formalism: application to the calcite-magnesite solid solution

CALPHAD-based alloy design of cast austenitic heat-resistant steels with enhanced strength at 1000 °C

Description of terminal substitutional solid solutions using the sublattice model

The influence of lattice vibrations and electronic free energy on phase stability of titanium silicides and Si solubility in hcp titanium: A DFT study

Composition dependent gradient energy coefficient: How the asymmetric miscibility gap affects spinodal decomposition in Ag-Cu?

Experimental investigation and thermodynamic modeling of the Fe−Si−Zr system

Thermodynamic description of the Co–Ni–Ta system

Thermodynamics of copper-rich liquid Cu-Fe-Bi alloys determined by vapour pressure measurements

Thermodynamic modeling of the water – Nitric acid – Rare earth nitrate systems

Isothermal sections of the Co-Re-Ta phase diagram at 1200 and 1375 K

An updated thermodynamic description of the W-Co and W-Co-Cr systems with focus on ground state intermetallic phases

The Bi2Se3–Bi2Te3–BiI3 system: Synthesis and characterization of the BiTe1-xSexI solid solutions

Study of NiAl3-Ni2Al3 nanostructure intermediate: Kinetic parameters and thermodynamic modeling

Liquid Bi–Pb and Bi–Li alloys: Mining thermodynamic properties from ab-initio molecular dynamics calculations using thermodynamic models

Thermodynamic assessment of the Fe–Ni–Te system

Experimental thermodynamic investigation of the liquid Cu-Li-Sn system by Knudsen Effusion Mass Spectrometry

Experimental study of the Be-C phase diagram

A versatile multicomponent database for the surface tension of liquid metals

Identification of volatile metal hydroxides with free jet expansion sampling mass spectrometry