Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations

Paul Lafaye, Caroline Toffolon-Masclet (ORCID 0000-0002-7144-7374), Jean-Claude Crivello, Jean-Marc Joubert (ORCID 0000-0001-7266-1850)

Journal of Alloys and Compounds 821 153200 (2020) · Elsevier BV

DOI: 10.1016/j.jallcom.2019.153200

Data: JSON record · id doi:10.1016/j.jallcom.2019.153200 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 43 released values
• assessment behind a TDB file: FeSn-20Laf.tdb (Fe–Sn), FeZr-20Laf.tdb (Fe–Zr)
• discovery lead (found by Crossref assessment discovery, not read): rank 480, score 109; systems named in title: Fe–Sn–Zr

Systems

Fe–Sn, Fe–Zr, Fe–Sn–Zr

Evidence in ORCHID

43 values read from this paper (43 accepted), from 4 tables and 0 text passages.

Phase-registry phases citing it: phase:fe-sn:a4-diamond, phase:fe-sn:a5-bct, phase:fe-sn:bcc-a2, phase:fe-sn:fcc-a1, phase:fe-sn:fe3sn2, phase:fe-sn:fe5sn3-b82, phase:fe-sn:fesn-b35, phase:fe-sn:fesn2-c16, phase:fe-sn:hcp-a3, phase:fe-sn:liquid, phase:fe-zr:bcc-a2, phase:fe-zr:c15-laves, phase:fe-zr:c36-laves, phase:fe-zr:fcc-a1, phase:fe-zr:fezr2-c16, phase:fe-zr:fezr3-e1a, phase:fe-zr:hcp-a3, phase:fe-zr:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 18 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (9)

• Thermodynamic Modeling of Sn–C and Fe–Sn–C Systems for the Tramp Elements Control in Steel Production (2025) [crossref_reference_list]
• Phase equilibria in the Fe–Sn–Ti system. Part 3: thermodynamic description (2025) [crossref_reference_list]
• Experimental investigation of phase equilibria in the Fe-Hf-Zr system at 1173 K and 1373 K (2021) [crossref_reference_list]
• Experimental and thermodynamic study of high-temperature phase stability of Fe–Zr binary alloy (2022) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors. (2021) [crossref_reference_list]
• Development of Thermokinetic Tools for Phase Transformation Studies of Zr Alloys for Both In-Service and LOCA Conditions (2021) [crossref_reference_list]
• Contribution to the thermodynamics of key zirconium-based binary systems for severe nuclear accident assessment (2026) [crossref_reference_list]
• Al-Fe-Sn Ternary Phase Diagram Evaluation (2023) [crossref_reference_list]

References (Crossref, publisher-deposited) (16)

• Thermodynamic analysis of phase equilibria in the iron—zirconium system (1993) [crossref_reference_list]
• The Zr-Fe phase diagram in the range 20–40 at.% Fe and the crystalline structure of the intermetallic compound Zr3Fe (1981) [crossref_reference_list]
• Experimental and thermodynamic assessment of the FeZr system (1995) [crossref_reference_list]
• Modification of zirconium-iron phase diagram (1993) [crossref_reference_list]
• Thermodynamic description of the Cu–Fe–Sn system at the Cu–Fe side (2008) [crossref_reference_list]
• Thermodynamic description of the Al–Fe–Zr system (2008) [crossref_reference_list]
• Thermodynamic assessment of the Fe–Al–Zr phase diagram (2009) [crossref_reference_list]
• Sn–Bi–Fe thermodynamic modeling and Sn–Bi/Fe interfacial reactions (2010) [crossref_reference_list]
• Thermodynamic modeling and experimental study of the Fe–Cr–Zr system (2013) [crossref_reference_list]
• Thermodynamic evaluation of Fe-Sn phase diagram (1996) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• <i>Ab initio</i>theoretical study of magnetization and phase stability of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mtext>Fe</mml:mtext><mml:mo>,</mml:mo><mml:mtext>Co</mml:mtext><mml:mo>,</mml:mo><mml:mtext>Ni</mml:mtext></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow><mml:mrow><mml:mn>23</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mtext>B</mml:mtext><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mtext>Fe</mml:mtext><mml:mo>,</mml:mo><mml:mtext>Co</mml:mtext><mml:mo>,</mml:mo><mml:mtext>Ni</mml:mtext></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow><mml:mrow><mml:mn>23</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mtext>Zr</mml:mtext></mml:mrow><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>structures of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cr</mml:mtext></mml:mrow><mml:mrow><mml:mn>23</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mtext>C</mml:mtext><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Mn</mml:mtext></mml:mrow><mml:mrow><mml:mn>23</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mtext>Th</mml:mtext></mml:mrow><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>prototypes (2008) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems (2001) [crossref_reference_list]
• Experimental determination of intermetallic phases, phase equilibria, and invariant reaction temperatures in the Fe-Zr system (2002) [crossref_reference_list]

TDB files modelling its system (2)

• tdb:FeSn-20Laf.tdb [sgte_tdb_header]
• tdb:FeZr-20Laf.tdb [sgte_tdb_header]

Reassessed by (1)

• Experimental and thermodynamic study of high-temperature phase stability of Fe–Zr binary alloy (2022) [citation+same-system]

Reassesses (cites an earlier assessment of the same system) (7)

• Experimental and thermodynamic assessment of the FeZr system (1995) [citation+same-system]
• Thermodynamic description of the Al–Fe–Zr system (2008) [citation+same-system]
• Thermodynamic assessment of the Fe–Al–Zr phase diagram (2009) [citation+same-system]
• Sn–Bi–Fe thermodynamic modeling and Sn–Bi/Fe interfacial reactions (2010) [citation+same-system]
• Thermodynamic modeling and experimental study of the Fe–Cr–Zr system (2013) [citation+same-system]
• Thermodynamic evaluation of Fe-Sn phase diagram (1996) [citation+same-system]
• Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems (2001) [citation+same-system]