CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry

Papers
(The H4-Index of CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry is 13. 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 2020-11-01 to 2024-11-01.)
ArticleCitations
TAF-ID: An international thermodynamic database for nuclear fuels applications60
Impact of gas formation on the transfer of Ti and O from TiO2-bearing basic-fluoride fluxes to submerged arc welded metals: A thermodynamic approach26
Thermodynamic assessment of the Ni–Co–Cr system and Diffusion Study of its fcc phase22
Thermodynamics and its prediction and CALPHAD modeling: Review, state of the art, and perspectives21
Thermodynamic assessment of the Co–Cr–Ni, Co–Cr–W and Co–Ni–W20
DFTTK: Density Functional Theory ToolKit for high-throughput lattice dynamics calculations20
Computational design of V-CoCrFeMnNi high-entropy alloys: An atomistic simulation study19
Thermodynamics of monoclinic and tetragonal hafnium dioxide (HfO2) at ambient pressure17
Phase diagrams and thermochemical modeling of salt lake brine systems. IV. Thermodynamic framework and program implementation for multicomponent systems16
CALPHAD modeling of the glass transition for a pure substance, coupling thermodynamics and relaxation kinetics16
A self-consistent model to describe the temperature dependence of the bulk modulus, thermal expansion and molar volume compatible with 3rd generation CALPHAD databases15
Ab initio simulations on the pure Cr lattice stability at 0K: Verification with the Fe-Cr and Ni-Cr binary systems14
Addition of V2O5 and V2O3 to the CaO–FeO–Fe2O3–MgO–SiO2 database for vanadium distribution and viscosity calculations14
A computational experiment on deducing phase diagrams from spatial thermodynamic data using machine learning techniques13
ICME guided design of heat-treatable Zn-modified Al–Mg alloys13
Phase equilibria of the Al2O3–CaO–SiO2-(0%, 5%, 10%) MgO slag system for non-metallic inclusions control13
First-principles-only CALPHAD phase diagram of the solid aluminium-nickel (Al-Ni) system13
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