Experimental investigation and thermodynamic description of
selenium‐based systems

a 2024

Experimental investigation and thermodynamic description of selenium‐based systems

MIKŠÍK, Dávid; Ondřej ZOBAČ a Jana PAVLŮ

Základní údaje

Originální název

Experimental investigation and thermodynamic description of selenium‐based systems

Autoři

MIKŠÍK, Dávid; Ondřej ZOBAČ a Jana PAVLŮ

Vydání

CALPHAD LI, 2024

Další údaje

Jazyk

angličtina

Typ výsledku

Konferenční abstrakt

Obor

10403 Physical chemistry

Stát vydavatele

Česká republika

Utajení

není předmětem státního či obchodního tajemství

Označené pro přenos do RIV

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

selenium‐based systems; phase equilibria; experimental data; thermodynamic modelling

Změněno: 24. 3. 2025 10:15, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

A new thermodynamic description of the binary Co-Se system was introduced using the CALPHAD approach to predict and describe the phase equilibria, including the development of new models for phases CoSe1, Co9Se81 and CoSe21. The models and thermodynamic description were verified by comparing the predicted phase diagram with the experimental data obtained in this study and calculated ab initio data.Furthermore, the ternary Co-Se-Sn system has been investigated experimentally to determine the phase equilibria and the microstructure of the alloys formed at temperatures 400, 600 and 1000 °C (see Figure 1 for an isothermal section at 600 °C). Samples of various compositions were prepared using a preliminary ternary phase diagram based on the thermodynamic data of binary systems1,2,3. Samples were melted, long-term annealed, quenched and characterized using scanning electron microscopy, X-ray diffraction and thermal analysis. The combined experimental results confirmed the presence of several binary phases in this system, including Co3Sn22, CoSn22, CoSe1, Co9Se81, CoSe21, SeSn3, SeSn23 and one skutterudite-related ternary phase Co2(SnSe)34. The experimental and modelling results obtained in this study provide new insights into the behaviour of the Co Se and Co-Se-Sn systems. They can be applied in the design and optimization of Co-based alloys for various industrial applications, such as magnetic storage media, high-temperature materials, and thermoelectric devices.

Citovat

MIKŠÍK, Dávid; Ondřej ZOBAČ a Jana PAVLŮ. Experimental investigation and thermodynamic description of selenium‐based systems. In CALPHAD LI. 2024.

@proceedings{2484821,
   author = {Mikšík, Dávid and Zobač, Ondřej and Pavlů, Jana},
   booktitle = {CALPHAD LI},
   keywords = {selenium‐based systems; phase equilibria; experimental data; thermodynamic modelling},
   language = {eng},
   title = {Experimental investigation and thermodynamic description of selenium‐based systems},
   year = {2024}
}

TY  - CONF
ID  - 2484821
AU  - Mikšík, Dávid - Zobač, Ondřej - Pavlů, Jana
PY  - 2024
TI  - Experimental investigation and thermodynamic description of selenium‐based systems
KW  - selenium‐based systems
KW  - phase equilibria
KW  - experimental data
KW  - thermodynamic modelling
N2  - A new thermodynamic description of the binary Co-Se system was introduced using the CALPHAD approach to predict and describe the phase equilibria, including the development of new models for phases CoSe1, Co9Se81 and CoSe21. The models and thermodynamic description were verified by comparing the predicted phase diagram with the experimental data obtained in this study and calculated ab initio data.Furthermore, the ternary Co-Se-Sn system has been investigated experimentally to determine the phase equilibria and the microstructure of the alloys formed at temperatures 400, 600 and 1000 °C (see Figure 1 for an isothermal section at 600 °C). Samples of various compositions were prepared using a preliminary ternary phase diagram based on the thermodynamic data of binary systems1,2,3. Samples were melted, long-term annealed, quenched and characterized using scanning electron microscopy, X-ray diffraction and thermal analysis. The combined experimental results confirmed the presence of several binary phases in this system, including Co3Sn22, CoSn22, CoSe1, Co9Se81, CoSe21, SeSn3, SeSn23 and one skutterudite-related ternary phase Co2(SnSe)34. The experimental and modelling results obtained in this study provide new insights into the behaviour of the Co Se and Co-Se-Sn systems. They can be applied in the design and optimization of Co-based alloys for various industrial applications, such as magnetic storage media, high-temperature materials, and thermoelectric devices.
ER  -

MIKŠÍK, Dávid; Ondřej ZOBAČ a Jana PAVLŮ. Experimental investigation and thermodynamic description of selenium‐based systems. In \textit{CALPHAD LI}. 2024.

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