Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods

Larry Kaufman, P.E.A. Turchi, Weiming Huang, Zi-Kui Liu

Calphad 25 (3) 419-433 (2001) · Elsevier BV

DOI: 10.1016/s0364-5916(01)00061-x

Data: JSON record · id doi:10.1016/s0364-5916(01)00061-x · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 2 released values
• assessment behind a TDB file: TaW-01Kau-LB.tdb (Ta–W)
• discovery lead (found by Crossref assessment discovery, not read): rank 2243, score 48; systems named in title: Cr–Ta–W

Systems

Ta–W, Cr–Ta–W

Evidence in ORCHID

2 values read from this paper (0 accepted), from 0 tables and 2 text passages.

Phase-registry phases citing it: phase:ta-w:bcc-a2, phase:ta-w:bcc-b2, phase:ta-w:fcc-a1, phase:ta-w:hcp-a3, phase:ta-w:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 62 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (20)

• Evaluation of the thermodynamic properties and phase equilibria of the Re-Ta-W system (2002) [crossref_reference_list]
• Reassessment of Al-Ce and Al-Nd binary systems supported by critical experiments and first-principles energy calculations (2005) [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]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) [crossref_reference_list]
• First-principles calculations of structural energetics of Cu–TM (TM=Ti, Zr, Hf) intermetallics (2007) [crossref_reference_list]
• Modification of the thermodynamic model for the Mg–Zr system (2005) [crossref_reference_list]
• Thermodynamic modelling of the Zn–Zr system (2006) [crossref_reference_list]
• First-principles based calculation of binary and multicomponent phase diagrams for titanium carbonitride (2008) [crossref_reference_list]
• Thermodynamic optimizations on the binary Li–Sn system and ternary Mg–Sn–Li system (2014) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic modelling of a six component (C-Co-Cr-Ni-Ta-W) system for the simulation of Cobalt based alloys (2018) [crossref_reference_list]
• Thermodynamic modeling of the system As–Fe combined with first-principles total energy calculations (2008) [crossref_reference_list]
• A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems (2012) [crossref_reference_list]
• Contribution to a thermodynamic database and phase equilibria calculations for low activation Ta-containing steels (2003) [crossref_reference_list]
• Phase stability of the Hf-Nb system: From first-principles to CALPHAD (2002) [crossref_reference_list]
• A comparative study of predicting high entropy alloy phase fractions with traditional machine learning and deep neural networks (2024) [crossref_reference_list]
• Application of<i>ab initio</i>and CALPHAD thermodynamics to Mo-Ta-W alloys (2005) [crossref_reference_list]
• Experimental phase equilibria at 1500 °C and microhardness in the Cr–Ta–W system (2025) [crossref_reference_list]
• The Na–H system: from first-principles calculations to thermodynamic modeling (2006) [crossref_reference_list]
• Thermodynamics and Its Applications through First-Principles Calculations and CALPHAD Modeling (2007) [crossref_reference_list]

References (Crossref, publisher-deposited) (4)

• The Thermo-Calc databank system (1985) [crossref_reference_list]
• An assessment of the Cr-Mo-W system (1988) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]

TDB files modelling its system (1)

• tdb:TaW-01Kau-LB.tdb [sgte_tdb_header]