Ab initio calculations and thermodynamic modeling for the Fe–Mn–Nb system
Shuhong Liu, Bengt Hallstedt, Denis Music, Yong Du
Calphad 38 43-58 (2012) · Elsevier BV
DOI: 10.1016/j.calphad.2012.03.004
Data: JSON record · id doi:10.1016/j.calphad.2012.03.004 · metadata: crossref
Roles in ORCHID
- read by ORCHID (values extracted): 277 released values
- cited as the original source of values
- assessment behind a TDB file: FeNb-12Liu.tdb (Fe–Nb), MnNb-12Liu-alt.tdb (Mn–Nb), MnNb-12Liu.tdb (Mn–Nb)
- discovery lead (found by Crossref assessment discovery, not read): rank 1578, score 71; systems named in title: Fe–Mn–Nb
Systems
Mn, Nb, Fe–Nb, Mn–Nb, Fe–Mn–Nb, Fe–Nb–Zr
Evidence in ORCHID
277 values read from this paper (277 accepted), from 3 tables and 0 text passages.
| dft | 208 |
| model | 38 |
| experimental | 31 |
| crystal structure | 222 |
| invariant reaction | 55 |
18 values in 2 other papers cite this work as their source.
| model | 14 |
| dft | 4 |
Phase-registry phases citing it: phase:fe-nb:bcc-a2, phase:fe-nb:c14-laves, phase:fe-nb:d85-mu, phase:fe-nb:fcc-a1, phase:fe-nb:hcp-a3, phase:fe-nb:liquid, phase:mn-nb:bcc-a2, phase:mn-nb:c14-laves, phase:mn-nb:cbcc-a12, phase:mn-nb:cub-a13, phase:mn-nb:d85-mu, phase:mn-nb:fcc-a1, phase:mn-nb:hcp-a3, phase:mn-nb:liquid
Availability
Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 58 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (36)
- Experimental Liquidus Surface Projection and Thermodynamic Modeling of the Fe-Mo-Nb System (2019) [crossref_reference_list]
- Experimental Investigation and Thermodynamic Optimization of the Co–Fe–Nb System (2025) [crossref_reference_list]
- Fe-Mn-Nb (Iron-Manganese-Niobium) (2012) [crossref_reference_list]
- Thermodynamic Description of Ternary Fe-X-P systems. Part 5: Fe-Nb-P (2014) [crossref_reference_list]
- Thermodynamic Assessment of Zn-Fe-Nb Ternary System (2016) [crossref_reference_list]
- Thermodynamic Assessment of the Fe-Al-Nb System with Updated Fe-Nb Description (2017) [crossref_reference_list]
- Experimental Investigations of the Fe-Mn-Ti System in the Concentration Range of up to 30 at.% Ti (2020) [crossref_reference_list]
- Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements (2024) [crossref_reference_list]
- Thermodynamic description of the Fe–Mn–Nb–C system (2012) [crossref_reference_list]
- Thermodynamic assessment of Cr–Nb–C and Mn–Nb–C systems (2012) [crossref_reference_list]
- Thermodynamic assessment of Fe3Mn3Nb3N and Nb3C3Nsystems (2013) [crossref_reference_list]
- Thermodynamic assessment of the Fe–Nb–V system (2013) [crossref_reference_list]
- Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations (2015) [crossref_reference_list]
- Modeling of Fe–W phase diagram using first principles and phonons calculations (2015) [crossref_reference_list]
- Thermodynamic modelling of the Nb–Ni–Si phase diagram based on the 1073 K isothermal section using ab initio calculations (2015) [crossref_reference_list]
- Liquidus projection and thermodynamic modeling of the Cr-Fe-Nb ternary system (2016) [crossref_reference_list]
- The Cr-Nb-Si system: Improved thermodynamic modelling and its use in simulation of Laves phase in steel (2017) [crossref_reference_list]
- Thermodynamic description of the Al−Fe−Nb system (2017) [crossref_reference_list]
- Heat capacity measurement of C14–ZrMn2 and thermodynamic re-assessment of the Mn–Zr system (2020) [crossref_reference_list]
- Isothermal sections of the Co–Mn–Nb and Co–Mn–Ta phase diagrams at 1200 K (2022) [crossref_reference_list]
- Thermodynamic reassessment of Fe–Nb–V system (2023) [crossref_reference_list]
- Thermodynamic modeling of multicomponent MX phases (M= Nb,Ti,V; X=C,N) in steel (2025) [crossref_reference_list]
- Experimental determination and thermodynamic description of the Fe–Nb–Zr system (2025) [crossref_reference_list]
- The SGTE collection of binary datasets (2025) [crossref_reference_list]
- Thermodynamic investigation of the Zr-Fe-Nb system and its applications (2017) [crossref_reference_list]
- Phase equilibria and thermodynamics assessment of the Co–Fe–Nb ternary system (2024) [crossref_reference_list]
- Thermodynamic modeling of the Fe–Mo system coupled with experiments and ab initio calculations (2014) [crossref_reference_list]
- On the constitution and thermodynamic modeling of the phase diagrams Nb-Mn and Ta-Mn (2021) [crossref_reference_list]
- Experimental investigation and thermodynamic analysis of the Sc–Ni system supplemented with first-principles calculations (2014) [crossref_reference_list]
- Experimental determination of the thermodynamic properties of the Laves phases in the Cr–Fe–Nb system (2016) [crossref_reference_list]
- Calculations of the influence of alloying elements (Al, Cr, Mn, Ni, Si) on the Solubility of carbonitrides in low-carbon low-alloy steels (2016) [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]
- Experimental investigation of the phase equilibria in the Co–Fe–Ti ternary system (2015) [crossref_reference_list]
- Phase Equilibria of the Ti-Nb-Mn Ternary System at 1173K, 1273K and 1373K (2023) [crossref_reference_list]
- Thermodynamic modeling and critical experiments on the Al-Fe-Nb system (2026) [crossref_reference_list]
- Al-Fe-Nb Ternary Phase Diagram Evaluation (2017) [crossref_reference_list]
References (Crossref, publisher-deposited) (20)
- Untersuchung der α/γ‐Umwandlung in hochreinen Zweistofflegierungen des Eisens mit Molybdän, Vanadin, Wolfram, Niob, Tantal, Zirkon und Kobalt (1970) [crossref_reference_list]
- The Fe−Nb (Iron-Niobium) system (1986) [crossref_reference_list]
- Thermodynamic assessment of the Fe-Nb-Ti-C-N system (2001) [crossref_reference_list]
- Phase Equilibria in the Fe-Nb System (2011) [crossref_reference_list]
- The constitution of manganese base alloys with metals of the second transition series (1959) [crossref_reference_list]
- An assessment of the Fe-Mn system (1987) [crossref_reference_list]
- An assessment of the Fe-Mn system (1989) [crossref_reference_list]
- SGTE data for pure elements (1991) [crossref_reference_list]
- Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
- Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
- Calphad-type assessment of the Fe–Nb–Ni ternary system (2009) [crossref_reference_list]
- Experimental study and thermodynamic re-assessment of the binary Fe–Ta system (2011) [crossref_reference_list]
- The standard enthalpies of formation of some intermetallic compounds of transition metals by high temperature direct synthesis calorimetry (2006) [crossref_reference_list]
- Thermodynamic assessment of the Fe-Nb system (2000) [crossref_reference_list]
- Thermodynamic optimisation of the Co–Nb system (1998) [crossref_reference_list]
- Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
- Special points for Brillouin-zone integrations (1976) [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]
- Thermodynamic study of Fe-Ta and Fe-Nb alloys by means of the Knudsen cell mass spectrometry. (1989) [crossref_reference_list]
Cited for values by (2)
- Thermodynamic investigation of the Zr-Fe-Nb system and its applications (2017) — 12 values [orchid_extraction]
- Thermodynamic Assessment of the Fe-Al-Nb System with Updated Fe-Nb Description (2017) — 6 values [orchid_extraction]
Cites (values carry this citation) (5)
- Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) — 6 values [orchid_extraction]
- Phase Equilibria in the Fe-Nb System (2011) — 5 values [orchid_extraction]
- Thermodynamic assessment of the Fe-Nb system (2000) — 5 values [orchid_extraction]
- The constitution of manganese base alloys with metals of the second transition series (1959) — 3 values [orchid_extraction]
- Untersuchung der α/γ‐Umwandlung in hochreinen Zweistofflegierungen des Eisens mit Molybdän, Vanadin, Wolfram, Niob, Tantal, Zirkon und Kobalt (1970) — 2 values [orchid_extraction]
TDB files modelling its system (4)
tdb:FeNb-12Liu.tdb[sgte_tdb_header]tdb:FeNb-12Liu.tdb[orchid_literature_model_link]tdb:MnNb-12Liu-alt.tdb[sgte_tdb_header]tdb:MnNb-12Liu.tdb[sgte_tdb_header]
Reassessed by (9)
- Thermodynamic Description of Ternary Fe-X-P systems. Part 5: Fe-Nb-P (2014) [citation+same-system]
- Thermodynamic Assessment of the Fe-Al-Nb System with Updated Fe-Nb Description (2017) [citation+same-system]
- Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements (2024) [citation+same-system]
- Thermodynamic description of the Fe–Mn–Nb–C system (2012) [citation+same-system]
- Thermodynamic assessment of Fe3Mn3Nb3N and Nb3C3Nsystems (2013) [citation+same-system]
- Liquidus projection and thermodynamic modeling of the Cr-Fe-Nb ternary system (2016) [citation+same-system]
- Thermodynamic reassessment of Fe–Nb–V system (2023) [citation+same-system]
- Thermodynamic investigation of the Zr-Fe-Nb system and its applications (2017) [citation+same-system]
- On the constitution and thermodynamic modeling of the phase diagrams Nb-Mn and Ta-Mn (2021) [citation+same-system]
Reassesses (cites an earlier assessment of the same system) (3)
- Thermodynamic assessment of the Fe-Nb-Ti-C-N system (2001) [citation+same-system]
- Calphad-type assessment of the Fe–Nb–Ni ternary system (2009) [citation+same-system]
- Thermodynamic assessment of the Fe-Nb system (2000) [citation+same-system]
Data papers used (5)
- Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) — 6 values [orchid_extraction]
- Phase Equilibria in the Fe-Nb System (2011) — 5 values [orchid_extraction]
- Thermodynamic assessment of the Fe-Nb system (2000) — 5 values [orchid_extraction]
- The constitution of manganese base alloys with metals of the second transition series (1959) — 3 values [orchid_extraction]
- Untersuchung der α/γ‐Umwandlung in hochreinen Zweistofflegierungen des Eisens mit Molybdän, Vanadin, Wolfram, Niob, Tantal, Zirkon und Kobalt (1970) — 2 values [orchid_extraction]
Used in (assessments / papers that took values from it) (2)
- Thermodynamic investigation of the Zr-Fe-Nb system and its applications (2017) — 12 values [orchid_extraction]
- Thermodynamic Assessment of the Fe-Al-Nb System with Updated Fe-Nb Description (2017) — 6 values [orchid_extraction]