Ab initio and thermodynamic study of the Cr–Re system

M. Palumbo, T. Abe, C. Kocer, H. Murakami, H. Onodera

Calphad 34 (4) 495-503 (2010) · Elsevier BV

DOI: 10.1016/j.calphad.2010.09.003

Data: JSON record · id doi:10.1016/j.calphad.2010.09.003 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 107 released values
• assessment behind a TDB file: CrRe-10Pal.tdb (Cr–Re)

Systems

Cr, Re, Cr–Re

Evidence in ORCHID

107 values read from this paper (104 accepted), from 2 tables and 3 text passages.

Phase-registry phases citing it: phase:cr-re:bcc-a2, phase:cr-re:d8b-sigma, phase:cr-re:dis-sigma, phase:cr-re:fcc-a1, phase:cr-re:hcp-a3, phase:cr-re:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 26 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (9)

• Bulk and Surface Properties of Liquid Cr-Nb-Re Alloys (2014) [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]
• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) [crossref_reference_list]
• CALPHAD description of the Mo–Re system focused on the sigma phase modeling (2013) [crossref_reference_list]
• Thermodynamic re-assessment of the Re–X (X=Al, Co, Cr, Ta) binary systems (2018) [crossref_reference_list]
• Experimental investigation and thermodynamic assessment of phase equilibria in the Cr-Re-Ru ternary system (2021) [crossref_reference_list]
• The SGTE collection of binary datasets (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]
• Implementation of an Effective Bond Energy Formalism in the Multicomponent Calphad Approach (2018) [crossref_reference_list]

References (Crossref, publisher-deposited) (14)

• The Cr−Re phase diagram (1999) [crossref_reference_list]
• Thermodynamic properties of the CrFe system (1987) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic reassessment of the Ni–Ru system and assessment of the Al–Ni–Ru system at 1273–1523 K using ab initio calculations (2008) [crossref_reference_list]
• Thermodynamic and ab initio investigation of the Cu–Dy system (2009) [crossref_reference_list]
• First-principles calculations of energetics of sigma phase formation and thermodynamic modelling in the Cr–Fe–W system (2007) [crossref_reference_list]
• Crystal chemistry and Calphad modeling of the σ phase (2008) [crossref_reference_list]
• Some experiences modelling the sigma phase in the Ni–V system (2001) [crossref_reference_list]
• Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system (1998) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [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]

Cites (values carry this citation) (2)

• The Cr−Re phase diagram (1999) — 2 values [orchid_extraction]
• Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system (1998) — 2 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:CrRe-10Pal.tdb [orchid_literature_model_link]
• tdb:CrRe-10Pal.tdb [sgte_tdb_header]

Reassessed by (2)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) [citation+same-system]
• Thermodynamic re-assessment of the Re–X (X=Al, Co, Cr, Ta) binary systems (2018) [citation+same-system]

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

• Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system (1998) [citation+same-system]

Data papers used (2)

• The Cr−Re phase diagram (1999) — 2 values [orchid_extraction]
• Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system (1998) — 2 values [orchid_extraction]