First-principles calculations and thermodynamic modeling of the V–Zr system

Xu-Shan Zhao, Gai-Huan Yuan, Mei-Yi Yao, Qiang Yue, Jian-Yun Shen

Calphad 36 163-168 (2012) · Elsevier BV

DOI: 10.1016/j.calphad.2011.07.003

Data: JSON record · id doi:10.1016/j.calphad.2011.07.003 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 21 released values
• assessment behind a TDB file: VZr-12Zha.tdb (V–Zr)

Systems

V, Zr, V–Zr

Evidence in ORCHID

21 values read from this paper (21 accepted), from 2 tables and 0 text passages.

ESPEI datasets derived: 6 (derived/invariant-brackets/V-ZR/VZr-12Zha.zpf-00.json …).

Phase-registry phases citing it: phase:v-zr:bcc-a2, phase:v-zr:c15-laves, phase:v-zr:fcc-a1, phase:v-zr:hcp-a3, phase:v-zr:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 32 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (10)

• Solid-State Phase Equilibria and Intermetallic Compounds of the Si-V-Zr Ternary System (2016) [crossref_reference_list]
• The Application of CALPHAD Calculations to Uranium-Based Metallic Nuclear Fuels (2018) [crossref_reference_list]
• Thermodynamic modeling of the V–Zr system supported by key experiments (2016) [crossref_reference_list]
• Experimental investigation and thermodynamic modeling of the Ti–V–Zr system (2016) [crossref_reference_list]
• Thermodynamic modeling of the Si-Y system aided by first-principles and phonon calculations (2019) [crossref_reference_list]
• Liquidus projection of the Al–V–Zr system (2024) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• The phase equilibria of the Cu–Zr–V system supported by experiments and CALPHAD method (2025) [crossref_reference_list]
• Prediction of the Phase Composition of High-Entropy Аlloys Based on Cr–Nb–Ti–V–Zr Using the Calphad Method (2019) [crossref_reference_list]
• Development of Thermodynamic Database of Ti-V-Based Hydrogen Storage Alloys (2013) [crossref_reference_list]

References (Crossref, publisher-deposited) (8)

• Thermodynamic assessments of the phase diagrams of the hafnium-vanadium and vanadium-zirconium systems (2005) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Cohesion in alloys — fundamentals of a semi-empirical model (1980) [crossref_reference_list]
• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) [crossref_reference_list]
• Crystal Structure of Stoichiometric YBa₂Fe₃O₈ (2005) [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]

Cites (values carry this citation) (2)

• Crystal Structure of Stoichiometric YBa₂Fe₃O₈ (2005) — 4 values [orchid_extraction]
• Thermodynamic assessments of the phase diagrams of the hafnium-vanadium and vanadium-zirconium systems (2005) — 3 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:VZr-12Zha.tdb [sgte_tdb_header]
• tdb:VZr-12Zha.tdb [orchid_literature_model_link]

Reassessed by (2)

• Thermodynamic modeling of the V–Zr system supported by key experiments (2016) [citation+same-system]
• Experimental investigation and thermodynamic modeling of the Ti–V–Zr system (2016) [citation+same-system]

Data papers used (2)

• Crystal Structure of Stoichiometric YBa₂Fe₃O₈ (2005) — 4 values [orchid_extraction]
• Thermodynamic assessments of the phase diagrams of the hafnium-vanadium and vanadium-zirconium systems (2005) — 3 values [orchid_extraction]