OOIR: Observatory of International Research

Papers

(The TQCC of CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry is 6. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-06-01 to 2026-06-01.)

Article	Citations
Thermodynamic study of binary phase diagram iron-selenium	66
Interdiffusion behaviors and mechanical properties in Zr-Nb-Hf system	27
Re-investigation the phase equilibria and thermodynamic assessment of the Nd-Sn binary system	20
Study on the isothermal section at 1373K in the Fe–Mo–V system and atomic mobility of the V-rich bcc phase	20
Thermodynamic assessment of the Ga–Lu system by the combination of ab-initio calculations and the CALPHAD approach	18
Investigation of the thermal stability of U – 9 wt. % Nb – 3 wt. % Zr alloys using drop calorimetry	17
Modelling the kinetics of bainite transformation with pre-existing martensite in High-Si steels	17
Correlation governs the impurity (Ti, Zr, Hf) diffusion in face−centered cubic iridium through first−principles calculation	17
Rheological properties of Al2O3–CaO–SiO2 slags	17
XTDB, an XML based format for Calphad databases	17
Reassessment of mobility parameters for Cantor High Entropy Alloys through an automated procedure	16
Phase transition, microstructure and solidification of Ce–La–Fe and Ce–Nd–Fe alloys: Experimental investigation and thermodynamic calculation	16
Study on diffusion and Kirkendall effect in diffusion triples for fcc Ni–Al–Ta alloys	16
HitDIC software with graphical user interface for automatic development of diffusion databases in multicomponent alloys	15
Development of oxide melt solution calorimetry for transition metal diborides	15
Experimental determination of AlN in microalloyed steel and thermodynamic analysis	15
High-throughput measurements of interdiffusivities in fcc Co–Ni–Ta alloys at 1373K and 1473K	14
Experimental investigation of phase equilibria in the Al–Ag–Si system	14
Geometric acceleration of complex chemical equilibrium calculations — Algorithm and application to two- and three-component systems	14
Diffusion coefficients and atomic mobilities in the BCC phase of the Al–Nb–V system	13
Thermodynamic assessment of La–Fe–Si systems	13
Machine learning assisted CALPHAD framework for thermodynamic analysis of CVD SiO N thin films	12
Interdiffusion in BCC_B2 Ni–Ti–V alloys at 1223K–1323K	12
The composition dependences of thermodynamic, dynamic and structural properties of Al–Ni melts	12
Thermodynamic modeling of multicomponent MX phases (M= Nb,Ti,V; X=C,N) in steel	12

Experimental diffusion research and assessment of diffusional mobility in HCP Mg–Al-Ga ternary alloys	12
Diffusivities and atomic mobilities in the fcc phase Ni-Fe-X (X=Mo, W) system	12
Reassessment of low-temperature Gibbs energies of BCC and FCC in steel for T0-temperature evaluation	12
Experimental phase equilibria of the Mg–Sn–Ce ternary system at 800 K	11
Viscosity database for ternary Cu–Cr–X (X=Ni, Si, Zr) alloys based on CALPHAD-type modeling	11
Experimental phase equilibria and thermodynamic modeling of the Al–Co–Ti ternary system	11
Study of slag formation behavior in iron ore pellets based on thermodynamic calculations and experiments	11
Thermodynamic assessment of RuO4 oxide	11
Application and evaluation of thermodynamic modeling on phase equilibria of the CaO–MgO–SiO2–Al2O3–TiO2 system	11
Phase relationship in Gd2O3-Nd2O3-ZrO2 system at 1673 K and 1873 K	11
Thermodynamic properties of calcium antimonates from experiments and first principles	11
Thermodynamic modeling of the Co–Lu and Fe–Lu systems	11
Editorial Board	10
Thermodynamic evaluation and optimization of (LiF + ReF3) (Re = La, Nd, Gd, Yb, Y, Lu) binary systems	10
Phase equilibria of the Mg–Sn-Nd ternary system at 400 °C	10
Phase equilibria relationship in the FetO-TiO2-CaO-SiO2 system with CaO/SiO2 weight ratio of 1.2 at 1673K	10
Alloy composition and process design based on thermodynamic and kinetic simulation: The case of medium Mn steel	9
Thermodynamic assessment of the Ga–Gd, Ga–Nb and Gd–Nb binary phase diagrams towards the Ga–Gd–Nb system	9
Influence of boron grain boundary segregation on the results of thermodynamic calculations in the Fe-C-B-N system	9
Thermodynamic evaluation and optimization of the As–Co, As–Fe and As–Fe–S systems	9
CALPHAD modeling of κ- carbide dual ordering in Fe-	9
Corrigendum to “Experimental study and thermochemical assessment of the reciprocal system Li+, K+//Cl-, CO32-” [Calphad 83 (2023) 102603]	9
Thermodynamic modeling of phase diagrams in Sm2O3-SiO2, Yb2O3-SiO2 and Lu2O3-SiO2 systems	9
Editorial Board	9
Experiment investigation and thermodynamic assessment of the ternary Ti-Al-Hf system	8
Phase equilibria at 500 °C of the Mg-Nd-Zn system in the region of 0–50 at%Nd	8
New approach to the compound energy formalism (NACEF) Part II. Thermodynamic modelling of the Al–Nb system supported by first-principles calculations	8
Thermodynamic modeling of the KCl-LiCl-NaCl-UCl3 system for molten salt electrolysis and reprocessing of spent nuclear fuel	8
Challenges in determining individual chemical potentials of system elements by Gibbs energy minimization	8
Experimental determination and thermodynamic assessment of the Dy-Fe-B system	8
First principles calculation of composition dependence tracer and interdiffusion with phase change in γ/γ′ superalloy: A case study of Ir/Ir3Nb	8
Atomic mobilities and kinetic characteristics in the fcc phase of the Ni-Fe-Si system	8
Thermodynamic database for multi-principal element alloys within the system Al–Co–Cr–Fe–Mn–Ni–C	8
Metallurgical performance of Ca3TiFe2O8	8
Corrigendum to “Reply to comment on the paper ‘Thermodynamic, diffusion and precipitation behaviors in Cu-Ni-Si-Co alloys: Modeling and experimental validation’” [Calphad 92 (2026) 102905]	8
Phase equilibria and thermodynamic assessment of the Co–Cr binary system	8
Phase equilibria of FeOx-SiO2-Al2O3 slag system at 1200 °C and pO2 of 10−8.6 atm	8
Thermodynamic modeling of the Al–Co–W, Al–Ni–Ta and Co–Ni–W ternary systems	8
The origins, growth and current industrial impact of Calphad	8
Experimental investigation and thermodynamic assessment of the Al-Zr-Mn system	8
Phase diagram evaluation and experimental characterization of the Al-Bi-Ge ternary system	7
Thermodynamic description and electrical conductivity of the Ge-In-Zn system: Experiments and modeling	7
Experimental determination and thermodynamic assessment of the Fe-Dy-Y system	7
Diffusivities and atomic mobilities in bcc Ti–V–Mo alloys	7
Phase equilibria in the FeO–Fe2O3–SiO2 system: Experimental measurement and thermodynamic modeling	7
Computational-thermodynamics-based martensite-start temperature models	7
Predicting kinetic interface condition for austenite to ferrite transformation by multi-component continuous growth model	7
Critical reassessment of the H–Nb system and experimental investigation and thermodynamic modeling of the H–Nb–Zr system	7
Phase diagrams of Bi–Sb–Se–Te system	7
Experimental investigation and thermodynamic calculation of the Si-Zr-Ag ternary system	7

Thermodynamic coupling in the computation of dendrite growth kinetics for multicomponent alloys	7
Comment on the paper "Experimental investigation of the Ni–V–W ternary phase diagram", Calphad: Comput. Coupling Phase Diagrams Thermochem. 76 (2022) 102384	7
Genomic materials design: CALculation of PHAse Dynamics	7
Diffusion assessments for the Al–Cu–Ni system by diffusion triple experiment and two-dimensional diffusion simulation	7
Experimental investigation and thermodynamic optimization of the Ni–Ta–Ti system	7
User-friendly and robust Calphad optimizations using Calphad Optimizer in FactSage	7
First-principles-based statistical thermodynamic study of atomic interactions and phase stability in Ni-rich Ni-W alloys	7
Experimental investigation and thermodynamic calculation of the Al-Cr-Pd ternary system	6
Efficient acquisition of interdiffusion coefficients matrices and atomic mobilities of fcc Co–Mn–Cr alloys by combining diffusion couple experiments and HitDIC software	6
Experimental investigation and thermodynamic evaluation of the C–Fe–Zr ternary system	6
Thermodynamic assessment of the Ba–La–S and Ga–La–S systems	6
Experimental investigation and thermodynamic assessment of the ternary Ti–Zr–Si system	6
Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation	6
Charge-dependent CALPHAD analysis of defect chemistry and carrier concentration for space charge layers	6
Assessment of the precipitation kinetics of Al3Sc and Al3Li in binary alloys using an improved cluster dynamics model	6
CALPHAD-based modeling of pressure-dependent Al, Cu and Li unary systems	6
Thermodynamic modeling of the Nb-Ni system with uncertainty quantification using PyCalphad and ESPEI	6
Modified polyhedron model for predicting standard enthalpy of formation and entropy of mixed oxides	6
Thermodynamic modeling of the Nd2O3-FeOx-CaO ternary system	6
A novel photoluminescence theory and design rule based on solution entropy for rare earth ion doped alkaline metal silicates	6
Phase equilibria and microstructure development in Mg-rich Mg-Gd-Sr alloys: Experiments and CALPHAD assessment	6
Thermodynamic reassessment of Sn–Zr system assisted by DFT phonon calculations	6
Application of polyhedron model to predict heat capacity of mixed oxides	6
Assessment of thermal conductivity for FCC Al-X (X=Zn, Mg) and Al-Zn-Mg alloys: Experiments and modeling	6
High-throughput determination of interdiffusivity in fcc Cu-Al-Sn and Cu-Ni-Al-Sn alloys	6
Diffusion coefficients and atomic mobilities in fcc Ag–Ge and Cu–Ge alloys: Experiment and modeling	6
Calphad-Type Description of Sugar alcohols potential candidate as phase change material	6
A promising fuel for fast neutron spectrum Molten Salt Reactor: NaCl-ThCl	6
Atomic mobilities, diffusion coefficients, and kinetic coefficients in Ti-rich Ti–Mo–Nb system	6
Study on the evolution of phase relations in the Ti–Al–Nb/Cr systems at 0–50 at.% Al region	6
Interest of the regular 2-state model for the description of unary liquids: Presentation of the formalism	6
Experimental investigation and thermodynamic optimization of the Sc-Sb binary system	6
Thermodynamic description of Mg–Zn–Sb system supported by experimental work and extrapolation to the Mg–Zn–Al–Sb quaternary system	6
Experimental investigation and thermodynamic description of Mg–Sc–Zn ternary system	6