Ab initio study and thermodynamic modeling of the Pd-Si-C system

Chao Jiang, Isabella J. van Rooyen, Subhashish Meher

Computational Materials Science 171 109238 (2020) · Elsevier BV

DOI: 10.1016/j.commatsci.2019.109238

Data: JSON record · id doi:10.1016/j.commatsci.2019.109238 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 1 released values
• assessment behind a TDB file: PdC-20Jia.tdb (C–Pd), PdSi-20Jia.tdb (Pd–Si), SiC-20Jia.tdb (C–Si)
• discovery lead (found by Crossref assessment discovery, not read): rank 89, score 121; systems named in title: C–Pd–Si

Systems

C–Pd, C–Si, Pd–Si, C–Pd–Si

Evidence in ORCHID

1 values read from this paper (0 accepted), from 0 tables and 1 text passages.

Phase-registry phases citing it: phase:c-pd:a4-diamond, phase:c-pd:a9-graphite, phase:c-pd:bcc-a2, phase:c-pd:fcc-a1, phase:c-pd:hcp-a3, phase:c-pd:liquid, phase:c-si:a4-diamond, phase:c-si:a9-graphite, phase:c-si:bcc-a2, phase:c-si:fcc-a1, phase:c-si:hcp-a3, phase:c-si:liquid, phase:c-si:sic-b3, phase:pd-si:a4-diamond, phase:pd-si:bcc-a2, phase:pd-si:fcc-a1, phase:pd-si:hcp-a3, phase:pd-si:liquid, phase:pd-si:pd2si-c22, phase:pd-si:pd3si-d011 …

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 4 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (2)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Critical evaluation and thermodynamic optimization of the Si-N, Si-C, C-N and Si-C-N systems and its applications to high purity SiC production (2022) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling (2015) [crossref_reference_list]
• Phase diagram calculations for eight glass forming alloy systems (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• A combined first-principles/CALPHAD modeling of the Al–Ir system (2006) [crossref_reference_list]
• A thermodynamic description of the Pd–Si–C system (2006) [crossref_reference_list]
• The U–Ti system: Strengths and weaknesses of the CALPHAD method (2011) [crossref_reference_list]
• Thermodynamic calculation of the ternary system Al-Si-C (1996) [crossref_reference_list]
• SOME SOLIDUS TEMPERATURES IN SEVERAL METAL—CARBON SYSTEMS (1960) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]

TDB files modelling its system (3)

• tdb:PdC-20Jia.tdb [sgte_tdb_header]
• tdb:PdSi-20Jia.tdb [sgte_tdb_header]
• tdb:SiC-20Jia.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (4)

• Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling (2015) [citation+same-system]
• Phase diagram calculations for eight glass forming alloy systems (1985) [citation+same-system]
• A thermodynamic description of the Pd–Si–C system (2006) [citation+same-system]
• Thermodynamic calculation of the ternary system Al-Si-C (1996) [citation+same-system]