Thermodynamic modelling of Y–H and Y–Zr–H system aided by first-principles and its application in bulk hydride moderator fabrication

Jiaqing Peng, Ming Wu, Fu Du, Fengli Yang, Jianyun Shen, Lijun Wang, Xinyu Ye, Guoqing Yan

Journal of Nuclear Materials 531 152035 (2020) · Elsevier BV

DOI: 10.1016/j.jnucmat.2020.152035

Data: JSON record · id doi:10.1016/j.jnucmat.2020.152035 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 52 released values
• assessment behind a TDB file: YH-20Pen.tdb (H–Y)
• discovery lead (found by Crossref assessment discovery, not read): rank 197, score 117; systems named in title: H–Y–Zr

Systems

Y, H–Y, Y–Zr, H–Y–Zr

Evidence in ORCHID

52 values read from this paper (52 accepted), from 4 tables and 1 text passages.

Phase-registry phases citing it: phase:h-y:bcc-a2, phase:h-y:fcc-a1, phase:h-y:gas, phase:h-y:h2gas, phase:h-y:hcp-a3, phase:h-y: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) (2)

• Advances in CALPHAD Methodology for Modeling Hydrides: A Comprehensive Review (2024) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]

References (Crossref, publisher-deposited) (20)

• The solubility ofRH2−x in Gd, Er, Tm, Lu and Y from ambient to 850°C (1975) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Experimental investigation and thermodynamic reassessment of La–Ni and LaNi5–H systems (2013) [crossref_reference_list]
• Experimental investigation and thermodynamic assessment of Nd–H and Nd–Ni–H systems (2015) [crossref_reference_list]
• Determination of the isothermal section of the Cu–Zr–Y ternary system at 978K (2009) [crossref_reference_list]
• Study on the thermodynamics of the gadolinium-hydrogen binary system (H/Gd = 0.0–2.0) and implications to metallic gadolinium purification (2016) [crossref_reference_list]
• Experimental study and thermodynamic assessment of the dysprosium-hydrogen binary system (2017) [crossref_reference_list]
• Thermodynamics of the Zr–H binary system related to nuclear fuel sheathing and pressure tube hydriding (2012) [crossref_reference_list]
• Experimental study and thermodynamic description of the erbium–hydrogen–zirconium ternary system (2015) [crossref_reference_list]
• Experimental investigation and thermodynamic assessment of the yttrium-hydrogen binary system (2018) [crossref_reference_list]
• A thermodynamic database for zirconium alloys (1999) [crossref_reference_list]
• Optimisation of the thermodynamic properties of the Ti–H and Zr–H systems (2000) [crossref_reference_list]
• CRYSTAL STRUCTURES OF SOME LANTHANIDE HYDRIDES¹ (1962) [crossref_reference_list]
• The Thermodynamics of the Yttrium-Hydrogen System¹ (1965) [crossref_reference_list]
• Insights into the composition exploration of novel hydrogen storage alloys: evaluation of the Mg–Ni–Nd–H phase diagram (2017) [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]
• Pressure-Temperature-Composition Relationships of the Yttrium-Hydrogen System (1962) [crossref_reference_list]
• Experimental investigation and thermodynamic modeling of the Zr-Y system (2010) [crossref_reference_list]
• Thermodynamic Analysis of the Ti-H and Zr-H Binary Phase Diagrams (2007) [crossref_reference_list]

Cites (values carry this citation) (4)

• The solubility ofRH2−x in Gd, Er, Tm, Lu and Y from ambient to 850°C (1975) — 8 values [orchid_extraction]
• Experimental investigation and thermodynamic assessment of the yttrium-hydrogen binary system (2018) — 3 values [orchid_extraction]
• The Thermodynamics of the Yttrium-Hydrogen System¹ (1965) — 2 values [orchid_extraction]
• Pressure-Temperature-Composition Relationships of the Yttrium-Hydrogen System (1962) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:YH-20Pen.tdb [sgte_tdb_header]
• tdb:YH-20Pen.tdb [orchid_literature_model_link]

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

• Experimental investigation and thermodynamic assessment of the yttrium-hydrogen binary system (2018) [citation+same-system]

Data papers used (4)

• The solubility ofRH2−x in Gd, Er, Tm, Lu and Y from ambient to 850°C (1975) — 8 values [orchid_extraction]
• Experimental investigation and thermodynamic assessment of the yttrium-hydrogen binary system (2018) — 3 values [orchid_extraction]
• The Thermodynamics of the Yttrium-Hydrogen System¹ (1965) — 2 values [orchid_extraction]
• Pressure-Temperature-Composition Relationships of the Yttrium-Hydrogen System (1962) — 1 values [orchid_extraction]