The Ta-B system: Key experiments and thermodynamic modeling

Antonio Augusto Araujo Pinto da Silva; Flavio Ferreira; Belmira Benedita de Lima-Kühn; Gilberto Carvalho Coelho; Carlos Angelo Nunes; Pauline Vilasi; Jean Marc Fiorani; Nicolas David; Michel Vilasi

doi:10.1016/j.calphad.2018.08.012

The Ta-B system: Key experiments and thermodynamic modeling

Antonio Augusto Araujo Pinto da Silva
, Flavio Ferreira
, Belmira Benedita de Lima-Kühn
, Gilberto Carvalho Coelho
, Carlos Angelo Nunes
, Pauline Vilasi
, Jean Marc Fiorani
, Nicolas David
, Michel Vilasi

Research output: Contribution to journal › Article › peer-review

Abstract

In the present work, the Ta-B system was thermodynamically optimized based on the CALPHAD method using data of liquidus temperatures, invariant transformations and enthalpy of formation from the literature as well as new experiments performed in our group. The phases Ta₃B₂, TaB(rt), Ta₅B₆, Ta₃B₄ were modeled as stoichiometric compounds. On the other hand, L (liquid), BCC, Ta₂B, TaB(ht) and TaB₂ were modeled as solution phases using the Compound Energy Formalism (CEF), with excess terms described by the Redlich-Kister polynomials. (βB) was treated as a pure element without any Ta solubility. The present thermodynamic modeling is in good agreement with the experimental data.

Original language	English
Pages (from-to)	107-115
Number of pages	9
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	63
DOIs	https://doi.org/10.1016/j.calphad.2018.08.012
Publication status	Published - 1 Dec 2018
Externally published	Yes

Keywords

Borides
Calphad modeling
Ta-B system

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10.1016/j.calphad.2018.08.012

Cite this

@article{f6b1af165e354981aeff4df884f50900,

title = "The Ta-B system: Key experiments and thermodynamic modeling",

abstract = "In the present work, the Ta-B system was thermodynamically optimized based on the CALPHAD method using data of liquidus temperatures, invariant transformations and enthalpy of formation from the literature as well as new experiments performed in our group. The phases Ta3B2, TaB(rt), Ta5B6, Ta3B4 were modeled as stoichiometric compounds. On the other hand, L (liquid), BCC, Ta2B, TaB(ht) and TaB2 were modeled as solution phases using the Compound Energy Formalism (CEF), with excess terms described by the Redlich-Kister polynomials. (βB) was treated as a pure element without any Ta solubility. The present thermodynamic modeling is in good agreement with the experimental data.",

keywords = "Borides, Calphad modeling, Ta-B system",

author = "\{da Silva\}, \{Antonio Augusto Araujo Pinto\} and Flavio Ferreira and \{de Lima-K{\"u}hn\}, \{Belmira Benedita\} and Coelho, \{Gilberto Carvalho\} and Nunes, \{Carlos Angelo\} and Pauline Vilasi and Fiorani, \{Jean Marc\} and Nicolas David and Michel Vilasi",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier Ltd",

year = "2018",

month = dec,

day = "1",

doi = "10.1016/j.calphad.2018.08.012",

language = "English",

volume = "63",

pages = "107--115",

journal = "Calphad: Computer Coupling of Phase Diagrams and Thermochemistry",

issn = "0364-5916",

}

TY - JOUR

T1 - The Ta-B system

T2 - Key experiments and thermodynamic modeling

AU - da Silva, Antonio Augusto Araujo Pinto

AU - Ferreira, Flavio

AU - de Lima-Kühn, Belmira Benedita

AU - Coelho, Gilberto Carvalho

AU - Nunes, Carlos Angelo

AU - Vilasi, Pauline

AU - Fiorani, Jean Marc

AU - David, Nicolas

AU - Vilasi, Michel

PY - 2018/12/1

Y1 - 2018/12/1

N2 - In the present work, the Ta-B system was thermodynamically optimized based on the CALPHAD method using data of liquidus temperatures, invariant transformations and enthalpy of formation from the literature as well as new experiments performed in our group. The phases Ta3B2, TaB(rt), Ta5B6, Ta3B4 were modeled as stoichiometric compounds. On the other hand, L (liquid), BCC, Ta2B, TaB(ht) and TaB2 were modeled as solution phases using the Compound Energy Formalism (CEF), with excess terms described by the Redlich-Kister polynomials. (βB) was treated as a pure element without any Ta solubility. The present thermodynamic modeling is in good agreement with the experimental data.

AB - In the present work, the Ta-B system was thermodynamically optimized based on the CALPHAD method using data of liquidus temperatures, invariant transformations and enthalpy of formation from the literature as well as new experiments performed in our group. The phases Ta3B2, TaB(rt), Ta5B6, Ta3B4 were modeled as stoichiometric compounds. On the other hand, L (liquid), BCC, Ta2B, TaB(ht) and TaB2 were modeled as solution phases using the Compound Energy Formalism (CEF), with excess terms described by the Redlich-Kister polynomials. (βB) was treated as a pure element without any Ta solubility. The present thermodynamic modeling is in good agreement with the experimental data.

KW - Borides

KW - Calphad modeling

KW - Ta-B system

UR - https://www.scopus.com/pages/publications/85053477738

U2 - 10.1016/j.calphad.2018.08.012

DO - 10.1016/j.calphad.2018.08.012

M3 - Article

AN - SCOPUS:85053477738

SN - 0364-5916

VL - 63

SP - 107

EP - 115

JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

ER -

The Ta-B system: Key experiments and thermodynamic modeling

Abstract

Keywords

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