Application of<i>ab initio</i>and CALPHAD thermodynamics to Mo-Ta-W alloys

P. E. A. Turchi, V. Drchal, J. Kudrnovský, C. Colinet, Larry Kaufman, Zi-Kui Liu

Physical Review B 71 (9) 094206 (2005) · American Physical Society (APS)

DOI: 10.1103/physrevb.71.094206

Data: JSON record · id doi:10.1103/physrevb.71.094206 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 28 released values
• cited as the original source of values
• assessment behind a TDB file: MoTa-05Tur.tdb (Mo–Ta)
• discovery lead (found by Crossref assessment discovery, not read): rank 2242, score 48; systems named in title: Mo–Ta–W

Systems

Mo, Ta, W, Mo–Ta, Ta–W, Mo–Ta–W, Mo–Nb–Ta–W

Evidence in ORCHID

28 values read from this paper (27 accepted), from 1 tables and 1 text passages.

2 values in 1 other papers cite this work as their source.

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

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 76 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (11)

• Glass Formation, Phase Equilibria, and Thermodynamic Assessment of the Al-Ce-Co System Assisted by First-Principles Energy Calculations (2007) [crossref_reference_list]
• Prediction of A2 to B2 Phase Transition in the High-Entropy Alloy Mo-Nb-Ta-W (2013) [crossref_reference_list]
• First-principles based calculation of binary and multicomponent phase diagrams for titanium carbonitride (2008) [crossref_reference_list]
• Experimental investigation and thermodynamic description of the Ni–Ta–W system (2022) [crossref_reference_list]
• On phase stability of Mo-Nb-Ta-W refractory high entropy alloys (2022) [crossref_reference_list]
• First principles calculations of thermodynamic and mechanical properties of high temperature bcc Ta–W and Mo–Ta alloys (2008) [crossref_reference_list]
• Thermodynamic assessment of the Al–Sc–N ternary system and phase-separated region of the strained wurtzite phase (2020) [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]
• Effect of Short-Range Ordering in High-Entropy Alloys (2021) [crossref_reference_list]
• Thermodynamic description of the Ta–W–Zr system (2014) [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]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods (2001) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]

Cited for values by (1)

• On phase stability of Mo-Nb-Ta-W refractory high entropy alloys (2022) — 2 values [orchid_extraction]

TDB files modelling its system (1)

• tdb:MoTa-05Tur.tdb [sgte_tdb_header]

Reassessed by (1)

• On phase stability of Mo-Nb-Ta-W refractory high entropy alloys (2022) [citation+same-system]

Used in (assessments / papers that took values from it) (1)

• On phase stability of Mo-Nb-Ta-W refractory high entropy alloys (2022) — 2 values [orchid_extraction]