Modeling of Fe–W phase diagram using first principles and phonons calculations
Aurélie Jacob, Clemens Schmetterer, Lorenz Singheiser, Angus Gray-Weale, Bengt Hallstedt, Andrew Watson
Calphad 50 92-104 (2015) · Elsevier BV
DOI: 10.1016/j.calphad.2015.04.010
Reference as printed in ORCHID's sources: A. Watson, Calphad, 50, 92-104(2015).
Data: JSON record · id doi:10.1016/j.calphad.2015.04.010 · metadata: crossref
Roles in ORCHID
- assessment behind a TDB file: FeW-15Jac-phonon.tdb (Fe–W), FeW-15Jac-static.tdb (Fe–W)
Systems
Evidence in ORCHID
Phase-registry phases citing it: phase:fe-w:bcc-a2, phase:fe-w:c14-laves, phase:fe-w:d85-mu, phase:fe-w:fcc-a1, phase:fe-w:hcp-a3, phase:fe-w:liquid
Availability
Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 52 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (13)
- Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K (2019) [crossref_reference_list]
- Experimental Study and Thermodynamic Modeling of B-Fe-W System (2021) [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]
- Experimental investigation and thermodynamic calculation of the B-Fe-W ternary system (2018) [crossref_reference_list]
- Predictive computations of intermetallic σ phase evolution in duplex steel. I) Thermodynamic modeling of σ phase in the Fe–Cr–Mn–Mo–Ni system (2020) [crossref_reference_list]
- Magnetically altered phase stability in Fe-based alloys: Modeling and database development (2021) [crossref_reference_list]
- Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys (2024) [crossref_reference_list]
- The SGTE collection of binary datasets (2025) [crossref_reference_list]
- Experimental investigation and thermodynamic re-assessment of the Fe-Co-W phase diagram (2025) [crossref_reference_list]
- Experimental investigation and thermodynamic assessment of the Al-Fe-W Phase Diagram (2026) [crossref_reference_list]
- Experimental investigation and thermodynamic optimization of the Fe–Ta–W system (2026) [crossref_reference_list]
- Alloying and mechanical properties of W-Fe-B ternary system (2022) [crossref_reference_list]
References (Crossref, publisher-deposited) (11)
- Untersuchung der α/γ‐Umwandlung in hochreinen Zweistofflegierungen des Eisens mit Molybdän, Vanadin, Wolfram, Niob, Tantal, Zirkon und Kobalt (1970) [crossref_reference_list]
- A thermodynamic evaluation of the C−Fe−W system (1987) [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]
- Ab initio calculations and thermodynamic modeling for the Fe–Mn–Nb system (2012) [crossref_reference_list]
- First-principles calculations and thermodynamic re-modeling of the Hf–W system (2012) [crossref_reference_list]
- From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
- Ab initio study of C14 laves phases in Fe-based systems (2012) [crossref_reference_list]
- Effect of Magnetic Transition on the Solubility of Alloying Elements in <I>BCC</I> Iron and <I>FCC</I> Cobalt (1981) [crossref_reference_list]
TDB files modelling its system (2)
tdb:FeW-15Jac-phonon.tdb[sgte_tdb_header]tdb:FeW-15Jac-static.tdb[sgte_tdb_header]
Reassesses (cites an earlier assessment of the same system) (1)
- A thermodynamic evaluation of the C−Fe−W system (1987) [citation+same-system]