Thermodynamic assessment of the Ni–Si system by incorporating ab initio energetic calculations into the CALPHAD approach

Tatsuya Tokunaga, Kazumasa Nishio, Hiroshi Ohtani, Mitsuhiro Hasebe

Calphad 27 (2) 161-168 (2003) · Elsevier BV

DOI: 10.1016/s0364-5916(03)00049-x

Data: JSON record · id doi:10.1016/s0364-5916(03)00049-x · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 74 released values
• cited as the original source of values
• assessment behind a TDB file: NiSi-03Tok.tdb (Ni–Si)

Systems

Ni–Si

Evidence in ORCHID

74 values read from this paper (74 accepted), from 2 tables and 0 text passages.

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

ESPEI datasets derived: 12 (derived/invariant-brackets/NI-SI/NiSi-03Tok.zpf-03.json …).

Phase-registry phases citing it: phase:ni-si:a4-diamond, phase:ni-si:bcc-a2, phase:ni-si:fcc-a1, phase:ni-si:fcc-l12, phase:ni-si:hcp-a3, phase:ni-si:liquid, phase:ni-si:ni2si-c37, phase:ni-si:ni2si-theta, phase:ni-si:ni3si-h, phase:ni-si:ni3si-m, phase:ni-si:ni3si2, phase:ni-si:ni5si2, phase:ni-si:nisi-b31, phase:ni-si:nisi2-c1

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 79 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (24)

• Thermodynamic Assessment of the Si-Ta and Si-W Systems (2009) [crossref_reference_list]
• Thermodynamic Description of the Cu-Ni-Si System (2014) [crossref_reference_list]
• Thermodynamic Description of the Al-Fe-Mg-Ni-Si and Al-Cu-Fe-Mg-Ni Quinary Systems and Its Application to Solidification Simulation (2015) [crossref_reference_list]
• Experimental Investigations of the Isothermal Sections for the Ni-Si-Zr Ternary System at 1023 and 1173 K (2020) [crossref_reference_list]
• Thermodynamic assessment of the Yb–Si system (2005) [crossref_reference_list]
• Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C (2005) [crossref_reference_list]
• Thermodynamic assessment of the Pt–Si binary system (2008) [crossref_reference_list]
• First-principles based calculation of binary and multicomponent phase diagrams for titanium carbonitride (2008) [crossref_reference_list]
• Thermodynamic study and re-assessment of the Ge-Ni system (2012) [crossref_reference_list]
• Experimental investigation and thermodynamic description of the Li–Si–Ni ternary system (2015) [crossref_reference_list]
• Thermodynamic modelling of the Nb–Ni–Si phase diagram based on the 1073 K isothermal section using ab initio calculations (2015) [crossref_reference_list]
• Critical review of phase equilibria in the Ni-Si-Zn ternary system and its thermodynamic description supported by first-principles calculations (2019) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• The Al–Ni–Si phase diagram—Part III: Phase equilibria in the nickel rich part (2006) [crossref_reference_list]
• Thermodynamic modeling of the Li–Zn system (2008) [crossref_reference_list]
• Phase equilibria of the Fe–Ni–Si system at 850°C (2009) [crossref_reference_list]
• First-principles study of nickel-silicides ordered phases (2011) [crossref_reference_list]
• Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems (2023) [crossref_reference_list]
• Novel Fe–Ni–Si alloys with a balanced property set for electrical machines (2026) [crossref_reference_list]
• Thermodynamic modeling and kinetics simulation of precipitate phases in AISI 316 stainless steels (2014) [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]
• Evaluation of the Amorphous-Forming Ability of Ni-Si-B Ternary Alloys Using the CALPHAD Approach (2004) [crossref_reference_list]
• Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations (2004) [crossref_reference_list]
• Cr-Ni-Si Ternary Phase Diagram Evaluation (2022) [crossref_reference_list]

References (Crossref, publisher-deposited) (7)

• A thermodynamic evaluation of the nickel-silicon system (1996) [crossref_reference_list]
• The Ni−Si (Nickel-Silicon) system (1987) [crossref_reference_list]
• Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems (1999) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic assessment of the Al-Ni system (1997) [crossref_reference_list]
• Standard enthalpies of formation of some 3d transition metal silicides by high temperature direct synthesis calorimetry (1998) [crossref_reference_list]

Cited for values by (2)

• Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C (2005) — 2 values [orchid_extraction]
• Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations (2004) — 2 values [orchid_extraction]

Cites (values carry this citation) (4)

• Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems (1999) — 15 values [orchid_extraction]
• A thermodynamic evaluation of the nickel-silicon system (1996) — 6 values [orchid_extraction]
• Standard enthalpies of formation of some 3d transition metal silicides by high temperature direct synthesis calorimetry (1998) — 2 values [orchid_extraction]
• The Ni−Si (Nickel-Silicon) system (1987) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:NiSi-03Tok.tdb [sgte_tdb_header]
• tdb:NiSi-03Tok.tdb [orchid_literature_model_link]

Reassessed by (5)

• Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C (2005) [citation+same-system]
• Critical review of phase equilibria in the Ni-Si-Zn ternary system and its thermodynamic description supported by first-principles calculations (2019) [citation+same-system]
• Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems (2023) [citation+same-system]
• 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) [citation+same-system]
• Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations (2004) [citation+same-system]

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

• Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems (1999) [citation+same-system]

Data papers used (4)

• Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems (1999) — 15 values [orchid_extraction]
• A thermodynamic evaluation of the nickel-silicon system (1996) — 6 values [orchid_extraction]
• Standard enthalpies of formation of some 3d transition metal silicides by high temperature direct synthesis calorimetry (1998) — 2 values [orchid_extraction]
• The Ni−Si (Nickel-Silicon) system (1987) — 1 values [orchid_extraction]

Used in (assessments / papers that took values from it) (2)

• Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C (2005) — 2 values [orchid_extraction]
• Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations (2004) — 2 values [orchid_extraction]