Defects in boron carbide: First-principles calculations and CALPHAD modeling
Arkapol Saengdeejing, James E. Saal, Venkateswara Rao Manga, Zi-Kui Liu
Acta Materialia 60 (20) 7207-7215 (2012) · Elsevier BV
DOI: 10.1016/j.actamat.2012.09.029
Data: JSON record · id doi:10.1016/j.actamat.2012.09.029 · metadata: crossref
Roles in ORCHID
- read by ORCHID (values extracted): 8 released values
- assessment behind a TDB file: BC-12Sae.tdb (B–C)
Systems
Evidence in ORCHID
8 values read from this paper (7 accepted), from 1 tables and 2 text passages.
| experimental | 4 |
| model | 3 |
| dft | 1 |
| invariant reaction | 4 |
| phase transition | 4 |
ESPEI datasets derived: 2 (invariants/B-C/BC-12Sae.zpf-00.json …).
Phase-registry phases citing it: phase:b-c:a4-diamond, phase:b-c:a9-graphite, phase:b-c:b-beta-rhombo, phase:b-c:b4c-d1g, phase:b-c:liquid
Availability
Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 27 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (10)
- Thermodynamic Modeling of B-Ta and B-C-Ta Systems (2017) [crossref_reference_list]
- Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C (2024) [crossref_reference_list]
- Al–Ni–Ti thermodynamic database from first-principles calculations (2024) [crossref_reference_list]
- The SGTE collection of binary datasets (2025) [crossref_reference_list]
- Thermodynamic modelling for the long-period stacking ordered phase in Mg–Y–Al system: Construction and application (2023) [crossref_reference_list]
- Discovering ablation-resistant multicomponent B-C-Si-Zr-Hf ceramics by integrating high-throughput thermodynamic calculations, multi-objective optimization and key experimental validation (2026) [crossref_reference_list]
- High-Pressure, High-Temperature Phase Equilibria with Superhard Boron-Rich Compounds of B–C–N–O and B–C–Si Systems by In Situ X-ray Diffraction and CALPHAD Methodology (2025) [crossref_reference_list]
- First-principles thermodynamic modeling for the Al-Nb-Ni ternary system (2024) [crossref_reference_list]
- Thermodynamic assessment within the Zr–B–C–O quaternary system (2023) [crossref_reference_list]
- Thermodynamic Analysis of the Fe-Mo-B Ternary System (2020) [crossref_reference_list]
References (Crossref, publisher-deposited) (7)
- First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
- Stoichiometric limits of carbon-rich boron carbide phases (1983) [crossref_reference_list]
- Coupled pair potential, thermochemical and phase diagram data for transition metal binary systems-VII (1984) [crossref_reference_list]
- SGTE data for pure elements (1991) [crossref_reference_list]
- Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
- From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
- Phase stability in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>- and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>-rhombohedral boron (2007) [crossref_reference_list]
Cites (values carry this citation) (2)
- Stoichiometric limits of carbon-rich boron carbide phases (1983) — 2 values [orchid_extraction]
- Phase stability in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>- and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>-rhombohedral boron (2007) — 1 values [orchid_extraction]
TDB files modelling its system (2)
tdb:BC-12Sae.tdb[orchid_literature_model_link]tdb:BC-12Sae.tdb[sgte_tdb_header]
Reassessed by (1)
- Thermodynamic Analysis of the Fe-B-C Ternary System and an Evaluation of the Grain Boundary Segregation Behavior of B and C (2024) [citation+same-system]
Data papers used (2)
- Stoichiometric limits of carbon-rich boron carbide phases (1983) — 2 values [orchid_extraction]
- Phase stability in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>- and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>-rhombohedral boron (2007) — 1 values [orchid_extraction]