OOIR: Observatory of International Research

Papers

(The TQCC of CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry is 4. 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 2021-02-01 to 2025-02-01.)

Article	Citations
Phase equilibria in the FeO–Fe2O3–SiO2 system: Experimental measurement and thermodynamic modeling	67
Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys	21
Implementation of an extensible property modeling framework in ESPEI with applications to molar volume and elastic stiffness models	20
Experimental study of isothermal sections of the ZrO2–HfO2–Eu2O3 ternary diagram at 1500 °С and 1700 °С	20
Experiment investigation and thermodynamic assessment of the ternary Ti–Mo-Hf system	19
Experimental study and thermodynamic calculation of the Y–Co–Fe system	17
Revisiting the SGTE lattice stability of bcc aluminum	16
Phase equilibria study in the system “Fe2O3”-ZnO-Al2O3-(PbO+CaO+SiO2) in air	15
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	14
Towards more realistic simulations of microstructural evolution in oxidic systems	14
Associated solution model rebuilt	13
Diffusivities and atomic mobilities in bcc Ti–V–Mo alloys	13
Experimental study and thermodynamic assessment of thermodynamic properties of pure Li2CO3 and K2CO3	13
Genesis of plasticity-induced serrated metal flow in medium-Mn steel	12
Interdiffusivity matrices and atomic mobilities in fcc Co–Ni–Si and Cu–Co–Ni–Si alloys: Experiment and modeling	12
Binary Ti–Fe system. Part I: Experimental investigation at high pressure	11
ICME guided design of heat-treatable Zn-modified Al–Mg alloys	11
Correlation governs the impurity (Ti, Zr, Hf) diffusion in face−centered cubic iridium through first−principles calculation	11
Experimental investigation and thermodynamic modeling of the Mg–Cu–Ca ternary system	11
First-principles-based statistical thermodynamic study of atomic interactions and phase stability in Ni-rich Ni-W alloys	11
The interdiffusivity matrices in fcc_A1 Ni–Cr–V alloys: A high-throughput evaluation by CALTPP program	10
Rapid screening of high-throughput ground state predictions	10
Phase-equilibria investigation of the Dy-Mo-Si ternary system at 1173 K (900 °C)	10
Phase relationship in V2O3-rich region of the V2O3–CaO system between 1573–1773 K at PO2 = 10−10 and 10−11 atm	10

Thermodynamic optimization of the Mn–P and Fe–Mn–P systems	10
On the use of Boltzmann's transformation to solve diffusion problems	9
Phase equilibria in the EuBr2-AgBr pseudobinary system	9
Phase diagrams of Bi–Sb–Se–Te system	9
Diffusion coefficient measurement and atomic mobility assessment for bcc Ti–V–Fe ternary alloys	9
A third generation CalPhaD assessment of the Fe–Mn–Ti system part I: The binary subsystems Fe–Mn, Fe–Ti and Mn–Ti	9
Thermodynamic reassessment of Fe–Nb–V system	9
Phase diagram of ternary Co–Fe–Ge system (I): Experimental	9
Modeling the viscosity of silicate melts containing Fe oxide: FeO/Fe2O3 containing system	9
Effect of alloying on stability of grain boundary in γ phase of the U–Mo and U–Nb systems	9
Summary report of CALPHAD XLIX – Stockholm, Sweden, 2022	9
Thermodynamic description of Mg–Zn–Sb system supported by experimental work and extrapolation to the Mg–Zn–Al–Sb quaternary system	9
Experimental investigation of the phases transitions on O-rich side of the Zr–O system	8
Investigation of the thermal stability of U – 9 wt. % Nb – 3 wt. % Zr alloys using drop calorimetry	8
Thermodynamic modeling of CaO-SiO2-VOx system by the generalized central atom model	8
Diffusion assessments for the Al–Cu–Ni system by diffusion triple experiment and two-dimensional diffusion simulation	8
Vaporization studies on Mn-doped lead titanate	8
Thermodynamic coupling in the computation of dendrite growth kinetics for multicomponent alloys	8
Study on the isothermal section at 1373K in the Fe–Mo–V system and atomic mobility of the V-rich bcc phase	8
Thermodynamic modeling of the Mg–Mn–Zn system based on the refinement of the Mg–Zn and Mn–Zn systems	8
Comment on the paper "Experimental investigation of the Ni–V–W ternary phase diagram", Calphad: Comput. Coupling Phase Diagrams Thermochem. 76 (2022) 102384	8
Editorial Board	8
Sm–Ti binary thermodynamic database and phase diagram	8
Contribution to the Ti–Co–Sn system	7
Interdiffusion behaviors and mechanical properties in Zr-Nb-Hf system	7
Editorial Board	7
Thermodynamic properties of magnesium orthovanadate Mg3(VO4)2 at high temperatures (298.15–1473 K)	7
Liquidus projection of the Al–V–Zr system	7
Experimental investigation of diffusion behaviors in γ and γ’ Ni–Al–Co alloys	7
Modelling the thermodynamic data for hcp Zn and Cu–Zn alloys– an ab initio and calphad approach	7
Thermodynamic modeling with uncertainty quantification using the modified quasichemical model in quadruplet approximation: Implementation into PyCalphad and ESPEI	7
Magnetically altered phase stability in Fe-based alloys: Modeling and database development	7
The specific heat of Al-based compounds, evaluation of the Neumann-Kopp rule and proposal for a modified Neumann-Kopp rule	7
Generic energy formalism for reciprocal quadruplets within the two-sublattice quasichemical model	6
Phase transition, microstructure and solidification of Ce–La–Fe and Ce–Nd–Fe alloys: Experimental investigation and thermodynamic calculation	6
Study on diffusion and Kirkendall effect in diffusion triples for fcc Ni–Al–Ta alloys	6
Thermodynamic properties of neodymium silicates at high temperature (298.15–1273K) and thermodynamic reassessment of the Nd2O3-SiO2 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
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	6
Thermodynamic descriptions of the binary Ni–Sn and ternary Cu–Ni–Sn systems over entire composition range: A revisit	6
Rheological properties of Al2O3–CaO–SiO2 slags	6
Interdiffusion behaviors and mechanical properties in BCC Zr-rich Zr–Nb–Ta system	6
Experimental investigation and thermodynamic assessment of the Al–Er system	6
Re-investigation the phase equilibria and thermodynamic assessment of the Nd-Sn binary system	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
Thermodynamic assessment of the Ga–Lu system by the combination of ab-initio calculations and the CALPHAD approach	6
Reassessment of mobility parameters for Cantor High Entropy Alloys through an automated procedure	6
Thermodynamics of monoclinic and tetragonal hafnium dioxide (HfO2) at ambient pressure	6
Experimental investigation and thermodynamic assessment of the Ag–Cr–Y and Ag–Cu–Y ternary systems	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
Experimental investigation and kinetic analysis of Al–Zn–Mg alloy coating	5
CALPHAD-based modeling of pressure-dependent Al, Cu and Li unary systems	5
CALPHAD modeling of the glass transition for a pure substance, coupling thermodynamics and relaxation kinetics	5
Data-driven study of the enthalpy of mixing in the liquid phase	5
Thermodynamic assessment of the CaO-Gd2O3–SiO2 system	5
CALPHAD and the materials genome A 10 year anniversary	5
A third generation CalPhaD assessment of the Fe–Mn–Ti system Part II: The ternary system Fe–Mn–Ti	5
Measurement of the sub-solidus phase relation of CaO-Nb2O5-TiO2 system at 1300 °C and thermodynamic assessment of G(Ca4Ti3O10) and G(CaTi2O4)	5
The composition dependences of thermodynamic, dynamic and structural properties of Al–Ni melts	5
The power of computational thermochemistry in high-temperature process design and optimization: Part 1 — Unit operations	5
Phase equilibria study and thermodynamic assessment of CaO–MgO–P2O5 system	5
Thermodynamic assessment of La–Fe–Si systems	5
Interdiffusion and atomic mobility of the Mg–Sn–Zn system	5
Assessment of thermal conductivity for FCC Al-X (X=Zn, Mg) and Al-Zn-Mg alloys: Experiments and modeling	5
The study of the Pb–Se–Te phase diagram: Part 2 – The thermodynamic assessment of the Se–Te and Pb–Se–Te systems	5
New approach to the compound energy formalism (NACEF) part I. Thermodynamic modeling based on the sublattice model	5
Critical evaluation and thermodynamic modeling of the Al–Li binary system	5
Summary report of CALPHAD GLOBAL, 2021	5
Thermodynamic modeling of the Te-X (X = Zr, Ce, Eu) systems	5
Phase-field simulation of core-rim structure at the early sintering stage in TiC-WC-Ni cermet	5
Diffusion coefficients and atomic mobilities in the BCC phase of the Al–Nb–V system	5
Thermodynamic assessment of the Ta–Ge system supported by ab initio calculations	5
Thermodynamic assessment of the Cr–Si binary system	5
Thermodynamic study on the phase diagram of the Hg-Ca and Hg-Sr binary systems for dental amalgam restoration application	5
Summary report of CALPHAD L – Boston, USA, 2023	5
Thermodynamic modeling of the Ti–Al–V system over the entire composition and a wide temperature range	5
Assessment of atomic mobilities in the Al-Li fcc_A1 phase	5
Thermodynamic reassessment of Sn–Zr system assisted by DFT phonon calculations	5
Thermodynamic modeling of the Ni-Ti-Cr system and the B2/B19′ martensitic transformation	5
Experimental investigation and thermodynamic modeling of the Cr–Zr–Si system	5
Assessment of the precipitation kinetics of Al3Sc and Al3Li in binary alloys using an improved cluster dynamics model	5
Effect of alloying elements on the dissolution behavior of iron in magnesium melt	4
Size- and shape-dependent phase diagram of Ga-Sb nanoparticles	4
Thermodynamic properties of Na2MgSiO4: DFT calculation and experimental validation	4
Phase equilibria analysis of hematite pellets during induration	4
Comparative study on the viscosity modeling of the Ag–Au–Cu liquid alloys	4
Geometric acceleration of complex chemical equilibrium calculations — Algorithm and application to two- and three-component systems	4
Diffusivities and atomic mobilities in bcc Ti–Mo–Ta alloys	4
Thermodynamic properties of sodium hexatitanate (Na2Ti6O13) at high temperature (298.15–1573 K)	4
Third-generation CALPHAD description of pure GeO2 at 1 atm	4
“2 1/2th<	4
Atomic mobilities and diffusivities in the bcc phase of Ti–Nb–Sn system	4
Thermodynamic analysis for solidification path of simulated ex-vessel corium	4
Thermodynamic re-modelling of the Cu–Nb–Sn system: Integrating the nausite phase	4
Thermodynamics of liquid Pb–In–Sn alloys determined by vapour pressure measurements	4
Steels classification by machine learning and Calphad methods	4