Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results
J. Pavlů, J. Vřešt’ál, M. Šob
Calphad 34 (2) 215-221 (2010) · Elsevier BV
DOI: 10.1016/j.calphad.2010.03.003
Data: JSON record · id doi:10.1016/j.calphad.2010.03.003 · metadata: crossref
Roles in ORCHID
- read by ORCHID (values extracted): 265 released values
- cited as the original source of values
- assessment behind a TDB file: CrHf-10Pav-3SL.tdb (Cr–Hf), CrHf-10Pav.tdb (Cr–Hf), CrTi-10Pav-3SL.tdb (Cr–Ti), CrTi-10Pav.tdb (Cr–Ti)
Systems
Hf, Ti, Cr–Hf, Cr–Ti, Cr–Hf–Ti
Evidence in ORCHID
265 values read from this paper (265 accepted), from 2 tables and 0 text passages.
| dft | 168 |
| unspecified | 61 |
| experimental | 36 |
| crystal structure | 265 |
7 values in 1 other papers cite this work as their source.
| model | 7 |
Phase-registry phases citing it: phase:cr-hf:bcc-a2, phase:cr-hf:c14-laves, phase:cr-hf:c15-laves, phase:cr-hf:fcc-a1, phase:cr-hf:hcp-a3, phase:cr-hf:liquid, phase:cr-ti:bcc-a2, phase:cr-ti:c14-laves, phase:cr-ti:c15-laves, phase:cr-ti:c36-laves, phase:cr-ti:cr2ti-c14, phase:cr-ti:cr2ti-c15, phase:cr-ti:cr2ti-c36, phase:cr-ti:fcc-a1, phase:cr-ti:hcp-a3, phase:cr-ti:liquid
Availability
Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 49 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (30)
- Experimental Investigation and Thermodynamic Assessment of the Hf-Mn System (2011) [crossref_reference_list]
- Experimental Investigation and Thermodynamic Calculation of the Phase Equilibria in the Cr-Hf-Ti Ternary System (2013) [crossref_reference_list]
- Thermodynamic Assessments of the Ni-Cr-Ti System and Atomic Mobility of Its fcc Phase (2018) [crossref_reference_list]
- 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 of the Cr-Hf-Nb System: Liquidus Projection and 1200 °C Isothermal Section (2020) [crossref_reference_list]
- Experimental Investigation of Phase Equilibria in the Cu–Cr–Ti System (2021) [crossref_reference_list]
- Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System (2024) [crossref_reference_list]
- Liquidus Projection of the Cr-Nb-V System (2026) [crossref_reference_list]
- Thermodynamic modeling of Laves phases in the Ta–V system: Reassessment using first-principles results (2011) [crossref_reference_list]
- CALPHAD-type thermodynamic assessment of the Ti–Mo–Cr–V quaternary system (2016) [crossref_reference_list]
- Thermodynamic modeling of Ti-Fe-Cr ternary system (2017) [crossref_reference_list]
- Experimental investigation of phase equilibria in the Ti-Fe-Cr ternary system (2017) [crossref_reference_list]
- Heat capacity measurement of C14–ZrMn2 and thermodynamic re-assessment of the Mn–Zr system (2020) [crossref_reference_list]
- Thermodynamic reassessment of the Mo–Hf and Mo–Zr systems supported by first-principles calculations (2020) [crossref_reference_list]
- Thermodynamic assessment of the C Cr Ti system—Supported by DFT calculations (2022) [crossref_reference_list]
- Thermodynamic modeling of the Ni-Ti-Cr system and the B2/B19′ martensitic transformation (2022) [crossref_reference_list]
- Experimental investigation and thermodynamic calculation of the Cu–Cr–Ti ternary system (2023) [crossref_reference_list]
- The SGTE collection of binary datasets (2025) [crossref_reference_list]
- Thermodynamic modeling and ab initio calculations of the Cr–Hf–Nb system (2026) [crossref_reference_list]
- Thermodynamic assessment of the Cr–Ti and first assessment of the Al–Cr–Ti systems (2011) [crossref_reference_list]
- Constitution, physical properties and thermodynamic modeling of the Hf-Mn system (2024) [crossref_reference_list]
- Strengthening caused by precipitates with different morphologies in Cu–Cr–Ti alloys: The role of dislocation bending angle (2022) [crossref_reference_list]
- Experimental determination of isothermal sections for the Co-rich corner of the Co-Cr-Ti system at 800 and 900 °C (2024) [crossref_reference_list]
- Experimental investigation and thermodynamic analysis of the Sc–Ni system supplemented with first-principles calculations (2014) [crossref_reference_list]
- Prediction of the Phase Composition of High-Entropy Аlloys Based on Cr–Nb–Ti–V–Zr Using the Calphad Method (2019) [crossref_reference_list]
- Phase diagram calculations of Al–Cr–Nb–Ti quaternary system (2014) [crossref_reference_list]
- Thermodynamic description of hydrogen storage materials Cr–Ti–Zr and Fe–Ti–Zr (2017) [crossref_reference_list]
- Experimental Investigation of Phase Equilibria in the Ti-Cr-V System at 1000–1200 °C (2024) [crossref_reference_list]
- Development of Thermodynamic Database of Ti-V-Based Hydrogen Storage Alloys (2013) [crossref_reference_list]
- Cr-Hf-Nb Ternary Phase Diagram Evaluation (2018) [crossref_reference_list]
References (Crossref, publisher-deposited) (14)
- The Cr−Hf (Chromium-Hafnium) system (1986) [crossref_reference_list]
- First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [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]
- Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results (2009) [crossref_reference_list]
- Stability of Laves phases in the Cr–Zr system (2009) [crossref_reference_list]
- Thermodynamic modeling of the Cr–Hf–Si System (2009) [crossref_reference_list]
- Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
- Electronic structure, ordering effects, phase stability, and magnetism in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi mathvariant="normal">−</mml:mi><mml:mi mathvariant="italic">x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="italic">x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>systems (1993) [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]
- Using Re-W σ-phase first-principles results in the Bragg-Williams approximation to calculate finite-temperature thermodynamic properties (2002) [crossref_reference_list]
- Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
Cited for values by (1)
- Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System (2024) — 7 values [orchid_extraction]
Cites (values carry this citation) (1)
TDB files modelling its system (4)
tdb:CrHf-10Pav-3SL.tdb[sgte_tdb_header]tdb:CrHf-10Pav.tdb[sgte_tdb_header]tdb:CrTi-10Pav-3SL.tdb[sgte_tdb_header]tdb:CrTi-10Pav.tdb[sgte_tdb_header]
Reassessed by (2)
- Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System (2024) [citation+same-system]
- Thermodynamic modeling of the Ni-Ti-Cr system and the B2/B19′ martensitic transformation (2022) [citation+same-system]
Data papers used (1)
Used in (assessments / papers that took values from it) (1)
- Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System (2024) — 7 values [orchid_extraction]