Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations

S.H. Zhou, Y. Wang, L.-Q. Chen, Z.-K. Liu, R.E. Napolitano

Calphad 33 (4) 631-641 (2009) · Elsevier BV

DOI: 10.1016/j.calphad.2009.06.006

Data: JSON record · id doi:10.1016/j.calphad.2009.06.006 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 126 released values
• assessment behind a TDB file: NiTa-09Zho.tdb (Ni–Ta)
• discovery lead (found by Crossref assessment discovery, not read): rank 269, score 115; systems named in title: Mo–Ni–Ta

Systems

Mo, Ni, Ta, Mo–Ni, Mo–Ta, Ni–Ta, Mo–Ni–Ta

Evidence in ORCHID

126 values read from this paper (126 accepted), from 2 tables and 1 text passages.

ESPEI datasets derived: 17 (derived/invariant-brackets/NI-TA/NiTa-09Zho.zpf-00.json …).

Phase-registry phases citing it: phase:ni-ta:bcc-a2, phase:ni-ta:d0a-ii-ni3x, phase:ni-ta:d0a-ni3x, phase:ni-ta:fcc-a1, phase:ni-ta:hcp-a3, phase:ni-ta:liquid, phase:ni-ta:ni2ta-c11b, phase:ni-ta:ni3ta, phase:ni-ta:ni3ta-d022, phase:ni-ta:ni3ta-kappa, phase:ni-ta:ni8ta, phase:ni-ta:ni8x, phase:ni-ta:nita-d85, phase:ni-ta:nita2-c16

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 42 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (16)

• Experimental Determination of Phase Equilibria in the Ni–Hf–Ta System at 950 °C and 1100 °C (2021) [crossref_reference_list]
• Experimental Investigation and Thermodynamic Modelling of the Fe-Ni-Ta System (2020) [crossref_reference_list]
• Critical Assessment of Phase Equilibria in the Al-Co-Ta and Al-Ni-Ta Systems (2024) [crossref_reference_list]
• Experimental investigation and thermodynamic description of the Ni–Ta–W system (2022) [crossref_reference_list]
• Thermodynamic modeling of the Al–Co–W, Al–Ni–Ta and Co–Ni–W ternary systems (2023) [crossref_reference_list]
• Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys (2024) [crossref_reference_list]
• Experimental investigation and thermodynamic optimization of the Ni–Ta–Ti system (2025) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic modeling of the Fe–Mo system coupled with experiments and ab initio calculations (2014) [crossref_reference_list]
• Isothermal sections of the Co-Ni-Ta phase diagram at 1200 and 1375 K (2017) [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]
• Experimental study of phase equilibria in the Nb-Ni-Ta system involving the liquid phase (2026) [crossref_reference_list]
• Thermodynamic optimization of the Ni–Ta system supported by the key experiments (2018) [crossref_reference_list]
• Phase Equilibria in the Ni-V-Ta Ternary System (2018) [crossref_reference_list]
• Isothermal Sections of the Ni-Cr-Ta Ternary System at 1200 °C and 1300 °C (2019) [crossref_reference_list]
• Mo-Ni-Ta Ternary Phase Diagram Evaluation (2024) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• Ni8Ta in nickel-rich Ni−Ta alloys (1970) [crossref_reference_list]
• Experimental study and thermodynamic assessment of the Ni-Mo-Ta ternary system (1999) [crossref_reference_list]
• The crystal structure of Tani3 and its change on cold working (1967) [crossref_reference_list]
• Coupled thermochemical and phase diagram data for tantalum based binary alloys (1991) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic analysis of the Ni-Ta system. (1994) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Ni–Mo system (2005) [crossref_reference_list]
• Thermodynamic re-assessment of the ternary system Al-Cr-Ni (2001) [crossref_reference_list]
• Thermodynamic assessment of the Al-Ni system (1997) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Ni–Al and Ni–Ta phase diagrams (1983) [crossref_reference_list]

Cites (values carry this citation) (3)

• The crystal structure of Tani3 and its change on cold working (1967) — 34 values [orchid_extraction]
• Ni8Ta in nickel-rich Ni−Ta alloys (1970) — 2 values [orchid_extraction]
• Ni–Al and Ni–Ta phase diagrams (1983) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:NiTa-09Zho.tdb [orchid_literature_model_link]
• tdb:NiTa-09Zho.tdb [sgte_tdb_header]

Reassessed by (3)

• Experimental Investigation and Thermodynamic Modelling of the Fe-Ni-Ta System (2020) [citation+same-system]
• Thermodynamic modelling of a six component (C-Co-Cr-Ni-Ta-W) system for the simulation of Cobalt based alloys (2018) [citation+same-system]
• Thermodynamic optimization of the Ni–Ta system supported by the key experiments (2018) [citation+same-system]

Reassesses (cites an earlier assessment of the same system) (1)

• Thermodynamic analysis of the Ni-Ta system. (1994) [citation+same-system]

Data papers used (3)

• The crystal structure of Tani3 and its change on cold working (1967) — 34 values [orchid_extraction]
• Ni8Ta in nickel-rich Ni−Ta alloys (1970) — 2 values [orchid_extraction]
• Ni–Al and Ni–Ta phase diagrams (1983) — 1 values [orchid_extraction]