Computational thermodynamics and its applications

Zi-Kui Liu

Acta Materialia 200 745-792 (2020) · Elsevier BV

DOI: 10.1016/j.actamat.2020.08.008

Reference as printed in ORCHID's sources: Y. Liu, Z. Dou, M. Enoki, Y. Oyama, and H. Ohtani, Thermodynamic Assessment of the Ga-Se-Te System, Calphad, 2020, 71, p 102206. https://doi.org/10.1016/j.calphad.2020.102206

Data: JSON record · id doi:10.1016/j.actamat.2020.08.008 · metadata: crossref

Check: the DOI was matched from a printed reference and its Crossref record agrees only partly (journal_differs); treat the DOI as unconfirmed.

Roles in ORCHID

• cited as the original source of values

Systems

Ga–Te

Evidence in ORCHID

7 values in 1 other papers cite this work as their source.

Phase-registry phases citing it: phase:ga-te:a11-orthorhombic, phase:ga-te:a8-hexagonal, phase:ga-te:ga2te3-b3, phase:ga-te:ga2te5, phase:ga-te:ga3te4, phase:ga-te:gate, phase:ga-te:liquid

Availability

Read by ORCHID: no (full_text_screened_for_origin). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 164 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (24)

• Thermodynamic Assessments of the Ce–Te and Ce–Te–Bi Systems (2025) [crossref_reference_list]
• Thermodynamic Modeling of the Ge-X (X = As, Se, S, P) Systems (2022) [crossref_reference_list]
• Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems (2022) [crossref_reference_list]
• Thermodynamic Modeling of the Co-Cu-Sn Ternary System (2022) [crossref_reference_list]
• Thermodynamic Modeling of the Te-X (X = Gd, Dy, Ho) Binary Systems Combined with the First-Principles Method (2023) [crossref_reference_list]
• Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System (2024) [crossref_reference_list]
• Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations (2021) [crossref_reference_list]
• A CALPHAD-type Young's modulus database of Ti-rich Ti–Nb–Zr–Mo system (2021) [crossref_reference_list]
• Thermodynamic modeling of the Te-X (X = Zr, Ce, Eu) systems (2021) [crossref_reference_list]
• Thermodynamic descriptions of the binary Ni–Sn and ternary Cu–Ni–Sn systems over entire composition range: A revisit (2021) [crossref_reference_list]
• Thermodynamic assessment of the Fe–Ni–Rh–Ti system (2022) [crossref_reference_list]
• Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts (2022) [crossref_reference_list]
• Interdiffusion and atomic mobility of the Mg–Sn–Zn system (2023) [crossref_reference_list]
• Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations (2023) [crossref_reference_list]
• On phase stability of Mo-Nb-Ta-W refractory high entropy alloys (2022) [crossref_reference_list]
• Thermodynamic modeling of the Al-Co-Cr-Fe-Ni high entropy alloys supported by key experiments (2022) [crossref_reference_list]
• Thermodynamic description of the Ge-Sb-Te phase change materials and its applications in predictions of crystallization and solidification (2025) [crossref_reference_list]
• Thermodynamic database of quaternary Al-Si-Mg-Sb system and its application in the design of Sb-modified Al-Si-Mg casting alloys (2025) [crossref_reference_list]
• The stability and homogeneity range of the TCP phases in the Co-Fe-Ta system (2023) [crossref_reference_list]
• Efficient thermodynamic modelling with uncertainty quantification of the Ag–Cu–Co system from its sub-binary systems (2023) [crossref_reference_list]
• Thermodynamic modelling for the long-period stacking ordered phase in Mg–Y–Al system: Construction and application (2023) [crossref_reference_list]
• MaterialsMap: A CALPHAD-based tool to design composition pathways through feasibility map for desired dissimilar materials, demonstrated with resistance spot welding joining of Ag-Al-Cu (2024) [crossref_reference_list]
• Optimization of the composition based on thermodynamic modeling of low-alloyed Cu-Cr-Hf bronzes (2022) [crossref_reference_list]
• Thermodynamic Modeling of the Ag-Cu-Sn Ternary System (2022) [crossref_reference_list]

References (Crossref, publisher-deposited) (24)

• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD) (2013) [crossref_reference_list]
• Thermodynamic modeling of ordered phases in the NiAl system (1988) [crossref_reference_list]
• A thermodynamic analysis of the fe-cr system (1982) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• A Calphad assessment of Al–C–Fe system with the carbide modelled as an ordered form of the fcc phase (2008) [crossref_reference_list]
• PANDAT software with PanEngine, PanOptimizer and PanPrecipitation for multi-component phase diagram calculation and materials property simulation (2009) [crossref_reference_list]
• Thermodynamic modeling and optimization of the Fe–Ni–Ti system (2009) [crossref_reference_list]
• Thermodynamic investigation of the galvanizing systems, II: Thermodynamic evaluation of the Ni–Zn system (2011) [crossref_reference_list]
• An improved magnetic model for thermodynamic modeling (2012) [crossref_reference_list]
• Accelerated exploration of multi-principal element alloys for structural applications (2015) [crossref_reference_list]
• Thermodynamic modeling of the Nb–B system (2007) [crossref_reference_list]
• First-principles calculations and thermodynamic modelling of long periodic stacking ordered (LPSO) phases in Mg-Al-Gd (2018) [crossref_reference_list]
• Thermodynamics of the S–Sn system: Implication for synthesis of earth abundant photovoltaic absorber materials (2016) [crossref_reference_list]
• Thermodynamic re-assessment of the ternary system Al-Cr-Ni (2001) [crossref_reference_list]
• Computational thermodynamic modeling of the Mg-B system (2001) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [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]
• Atom distributions in sigma phases. I. Fe and Cr atom distributions in a binary sigma phase equilibrated at 1063, 1013 and 923 K (1983) [crossref_reference_list]
• Defect Chemistry and Phase Equilibria of (La_1-xCa_x)FeO_3-δThermodynamic Modeling (2013) [crossref_reference_list]

Cited for values by (1)

• Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems (2022) — 7 values [orchid_extraction]

Used in (assessments / papers that took values from it) (1)

• Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems (2022) — 7 values [orchid_extraction]