Implementation of an Effective Bond Energy Formalism in the Multicomponent Calphad Approach

Nathalie Dupin, Ursula R. Kattner, Bo Sundman, Mauro Palumbo, Suzana G. Fries

Journal of Research of the National Institute of Standards and Technology 123 123020 (2018) · National Institute of Standards and Technology (NIST)

DOI: 10.6028/jres.123.020

Data: JSON record · id doi:10.6028/jres.123.020 · metadata: crossref

Roles in ORCHID

• discovery lead (found by Crossref assessment discovery, not read): rank 1299, score 84; systems named in title: none

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 23 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (6)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) [crossref_reference_list]
• Predicting hydrogen storage capacity loss of FeTi by ab initio thermodynamic modelling of Fe–Ti–Si phase equilibria (2025) [crossref_reference_list]
• Thermodynamic database for multi-principal element alloys within the system Al–Co–Cr–Fe–Mn–Ni–C (2023) [crossref_reference_list]
• Thermodynamic modelling of the Al–Ni–V system (2025) [crossref_reference_list]
• Applying the Effective Bond Energy Formalism (EBEF) to describe the mu (μ) and sigma (σ) phases in the Co-Cr-Ni-W system (2025) [crossref_reference_list]
• Calphad Modeling of LRO and SRO Using ab initio Data (2020) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• Thermodynamic properties of the CrFe system (1987) [crossref_reference_list]
• A thermodynamic evaluation of the Mo-Ni system (1990) [crossref_reference_list]
• Ab initio and thermodynamic study of the Cr–Re system (2010) [crossref_reference_list]
• CALPHAD description of the Mo–Re system focused on the sigma phase modeling (2013) [crossref_reference_list]
• Experimental determination and thermodynamic modeling of the Ni–Re binary system (2012) [crossref_reference_list]
• Crystal chemistry and Calphad modeling of the σ phase (2008) [crossref_reference_list]
• Thermodynamic re-assessment of the ternary system Al-Cr-Ni (2001) [crossref_reference_list]
• Workshop on thermodynamic modelling of solutions and alloys (1997) [crossref_reference_list]
• A thermodynamic database for Ni‐base superalloys (2001) [crossref_reference_list]
• Site occupancy in the Re-W sigma phase (2001) [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]