Accelerating thermochemistry in MOX fuel modelling via neural-network surrogates of CALPHAD calculations: Integration into SCIANTIX

Giovanni Nicodemo (ORCID 0009-0009-3916-4639), Christine Guéneau, Paul C.M. Fossati (ORCID 0000-0001-8230-6422), Giovanni Zullo, Davide Pizzocri (ORCID 0000-0003-2256-8409), Lelio Luzzi (ORCID 0000-0002-9754-4535)

Computational Materials Science 269 114607 (2026) · Elsevier BV

DOI: 10.1016/j.commatsci.2026.114607

Data: JSON record · id doi:10.1016/j.commatsci.2026.114607 · metadata: crossref

Roles in ORCHID

• discovery lead (found by Crossref assessment discovery, not read): rank 1395, score 80; systems named in title: none

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Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 0 (retrieved 2026-10-23).

Relations

References (Crossref, publisher-deposited) (5)

• The Thermo-Calc databank system (1985) [crossref_reference_list]
• Investigation of the solid/liquid phase transitions in the U–Pu–O system (2023) [crossref_reference_list]
• Thermodynamic modeling of the Al-Co-Cr-Fe-Ni high entropy alloys supported by key experiments (2022) [crossref_reference_list]
• Calphad thermodynamic description of some binary systems involving U (2011) [crossref_reference_list]
• Thermodynamic modelling of advanced oxide and carbide nuclear fuels: Description of the U–Pu–O–C systems (2011) [crossref_reference_list]