OOIR: Observatory of International Research

Papers

(The TQCC of CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry is 5. 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 2021-04-01 to 2025-04-01.)

Article	Citations
Thermodynamic assessment of the Fe–O–Zr, Cr–O–Zr and O–Sn–Zr ternary systems	32
Computational-thermodynamics-based martensite-start temperature models	25
Thermodynamic study of binary phase diagram iron-selenium	24
User-friendly and robust Calphad optimizations using Calphad Optimizer in FactSage	22
Thermal conductivity calculation of Fe-Al-Ni alloys by CALPHAD method	17
Experimental investigation and thermodynamic optimization of the Ni–Ta–Ti system	16
Experimental study of isothermal sections of the ZrO2–HfO2–Eu2O3 ternary diagram at 1500 °С and 1700 °С	15
Revisiting the SGTE lattice stability of bcc aluminum	15
Phase equilibria study in the system “Fe2O3”-ZnO-Al2O3-(PbO+CaO+SiO2) in air	14
Towards more realistic simulations of microstructural evolution in oxidic systems	14
Modification of Lu's (2005) high pressure model for improved high pressure/high temperature extrapolations. Part I: Modeling of platinum at high pressure/high temperature	14
Experimental study and thermodynamic modeling of the Cu–Sn–Si–O system and sub-systems	13
Experimental study and thermodynamic assessment of thermodynamic properties of pure Li2CO3 and K2CO3	12
Genesis of plasticity-induced serrated metal flow in medium-Mn steel	12
Rapid screening of high-throughput ground state predictions	11
Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys	11
Thermodynamic reassessment of Fe–Nb–V system	11
Experimental investigation and thermodynamic modeling of the Mg–Cu–Ca ternary system	11
Correlation governs the impurity (Ti, Zr, Hf) diffusion in face−centered cubic iridium through first−principles calculation	11
A third generation CalPhaD assessment of the Fe–Mn–Ti system part I: The binary subsystems Fe–Mn, Fe–Ti and Mn–Ti	11
Binary Ti–Fe system. Part I: Experimental investigation at high pressure	11
Phase diagrams of Bi–Sb–Se–Te system	10
Comment on the paper "Experimental investigation of the Ni–V–W ternary phase diagram", Calphad: Comput. Coupling Phase Diagrams Thermochem. 76 (2022) 102384	10
Investigation of the thermal stability of U – 9 wt. % Nb – 3 wt. % Zr alloys using drop calorimetry	10
Experimental investigation of the phases transitions on O-rich side of the Zr–O system	10

Editorial Board	10
Vaporization studies on Mn-doped lead titanate	10
Summary report of CALPHAD XLIX – Stockholm, Sweden, 2022	10
Thermodynamic modeling of CaO-SiO2-VOx system by the generalized central atom model	10
Contribution to the Ti–Co–Sn system	9
Experimental investigation of diffusion behaviors in γ and γ’ Ni–Al–Co alloys	9
Magnetically altered phase stability in Fe-based alloys: Modeling and database development	9
Experimental study and thermodynamic calculation of the Y–Co–Fe system	9
Thermodynamic modeling with uncertainty quantification using the modified quasichemical model in quadruplet approximation: Implementation into PyCalphad and ESPEI	9
Interdiffusivity matrices and atomic mobilities in fcc Co–Ni–Si and Cu–Co–Ni–Si alloys: Experiment and modeling	9
Editorial Board	8
Use of third generation data for the pure elements to model the thermodynamics of binary alloy systems: Part 3 – The theoretical prediction of the Al–Si–Zn system	8
Implementation of an extensible property modeling framework in ESPEI with applications to molar volume and elastic stiffness models	8
Sm–Ti binary thermodynamic database and phase diagram	8
Thermodynamic assessment of the Ga–Lu system by the combination of ab-initio calculations and the CALPHAD approach	8
Thermodynamic properties of neodymium silicates at high temperature (298.15–1273K) and thermodynamic reassessment of the Nd2O3-SiO2 system	8
Re-investigation the phase equilibria and thermodynamic assessment of the Nd-Sn binary system	8
Experiment investigation and thermodynamic assessment of the ternary Ti–Mo-Hf system	8
Phase transition, microstructure and solidification of Ce–La–Fe and Ce–Nd–Fe alloys: Experimental investigation and thermodynamic calculation	8
On the use of Boltzmann's transformation to solve diffusion problems	8
Phase equilibria in the FeO–Fe2O3–SiO2 system: Experimental measurement and thermodynamic modeling	7
Thermodynamic properties of magnesium orthovanadate Mg3(VO4)2 at high temperatures (298.15–1473 K)	7
Diffusion assessments for the Al–Cu–Ni system by diffusion triple experiment and two-dimensional diffusion simulation	7
Thermodynamic description of Mg–Zn–Sb system supported by experimental work and extrapolation to the Mg–Zn–Al–Sb quaternary system	7
ICME guided design of heat-treatable Zn-modified Al–Mg alloys	7
Reassessment of mobility parameters for Cantor High Entropy Alloys through an automated procedure	7
Interdiffusion behaviors and mechanical properties in BCC Zr-rich Zr–Nb–Ta system	7
Rheological properties of Al2O3–CaO–SiO2 slags	7
Study on diffusion and Kirkendall effect in diffusion triples for fcc Ni–Al–Ta alloys	7
Phase equilibria in the EuBr2-AgBr pseudobinary system	7
Associated solution model rebuilt	7
The specific heat of Al-based compounds, evaluation of the Neumann-Kopp rule and proposal for a modified Neumann-Kopp rule	6
First-principles-based statistical thermodynamic study of atomic interactions and phase stability in Ni-rich Ni-W alloys	6
Phase relationship in V2O3-rich region of the V2O3–CaO system between 1573–1773 K at PO2 = 10−10 and 10−11 atm	6
Corrigendum to “Thermodynamic assessment of the Ni-Co-Re system and diffusion study of its fcc phase” [Calphad 85 (2024) 102688]	6
Experimental investigation and CALPHAD modeling of phase equilibria of the Cu–Ag–Zr system	6
Phase diagram of ternary Co–Fe–Ge system (I): Experimental	6
Generic energy formalism for reciprocal quadruplets within the two-sublattice quasichemical model	6
Diffusivities and atomic mobilities in bcc Ti–V–Mo alloys	6
HitDIC software with graphical user interface for automatic development of diffusion databases in multicomponent alloys	6
Thermodynamic coupling in the computation of dendrite growth kinetics for multicomponent alloys	6
Thermodynamic modeling of the Mg–Mn–Zn system based on the refinement of the Mg–Zn and Mn–Zn systems	6
Experimental investigation and thermodynamic assessment of the Al–Er system	6
Bridging the gap between atomic scale and thermodynamics for structurally complex multiphase multi-element systems: Metallic borides in Al-based metal–matrix composites as a case study	6
Study on the isothermal section at 1373K in the Fe–Mo–V system and atomic mobility of the V-rich bcc phase	6
Liquidus projection of the Al–V–Zr system	6
Thermodynamic study on the phase diagram of the Hg-Ca and Hg-Sr binary systems for dental amalgam restoration application	6
Critical evaluation and thermodynamic reassessment of the Na2O-SiO2 system	6
Assessment of thermal conductivity for FCC Al-X (X=Zn, Mg) and Al-Zn-Mg alloys: Experiments and modeling	6
The power of computational thermochemistry in high-temperature process design and optimization: Part 2 – Pyrometallurgical process modeling using FactFlow	6

Thermodynamic descriptions of the binary Ni–Sn and ternary Cu–Ni–Sn systems over entire composition range: A revisit	6
Corrigendum to “Thermodynamic assessment of the Ce-Rh system by the combination of ab-initio calculations and the CALPHAD approach” [Calphad 87 (2024) 102747]	6
Experimental investigation and thermodynamic assessment of the Ag–Cr–Y and Ag–Cu–Y ternary systems	6
Interdiffusion behaviors and mechanical properties in Zr-Nb-Hf system	6
Data-driven study of the enthalpy of mixing in the liquid phase	6
Diffusion coefficient measurement and atomic mobility assessment for bcc Ti–V–Fe ternary alloys	6
Experimental investigation and thermodynamic optimization of the Sc-Sb binary system	6
Thermodynamic assessment of La–Fe–Si systems	5
Interest of the regular 2-state model for the description of unary liquids: Presentation of the formalism	5
Summary report of CALPHAD L – Boston, USA, 2023	5
Diffusivities and atomic mobilities in bcc Ti–Mo–Ta alloys	5
Experimental determination of AlN in microalloyed steel and thermodynamic analysis	5
Thermodynamic properties of Na2MgSiO4: DFT calculation and experimental validation	5
Size- and shape-dependent phase diagram of Ga-Sb nanoparticles	5
Effect of alloying elements on the dissolution behavior of iron in magnesium melt	5
Thermodynamic properties of sodium hexatitanate (Na2Ti6O13) at high temperature (298.15–1573 K)	5
Assessment of atomic mobilities in the Al-Li fcc_A1 phase	5
Modification of Lu's (2005) high pressure model for improved high pressure/high temperature extrapolations. Part II: Modeling of osmium–platinum system at high pressure/high temperature	5
Thermodynamics of the Ti–Al–O system	5
Computational design of V-CoCrFeMnNi high-entropy alloys: An atomistic simulation study	5
Thermodynamic analysis for solidification path of simulated ex-vessel corium	5
Experimental investigation and thermodynamic modeling of the Co-Ni-B system	5
Experimental investigation and thermodynamic modeling of the Cr–Zr–Si system	5
New approach to the compound energy formalism (NACEF) part I. Thermodynamic modeling based on the sublattice model	5
Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations	5
Thermodynamic assessment of the CaO-Gd2O3–SiO2 system	5
CALPHAD and the materials genome A 10 year anniversary	5
Atomic mobilities and diffusivities in the bcc phase of Ti–Nb–Sn system	5
Assessment of the precipitation kinetics of Al3Sc and Al3Li in binary alloys using an improved cluster dynamics model	5
Geometric acceleration of complex chemical equilibrium calculations — Algorithm and application to two- and three-component systems	5
Thermodynamic modeling of multicomponent MX phases (M= Nb,Ti,V; X=C,N) in steel	5
Critical evaluation and thermodynamic modeling of the Al–Li binary system	5
Thermodynamic re-modelling of the Cu–Nb–Sn system: Integrating the nausite phase	5
Thermodynamics of liquid Pb–In–Sn alloys determined by vapour pressure measurements	5