Heat capacity measurements of the Fe2Nb and Fe7Nb6 intermetallic compounds

Silva, Antonio A.A.P.; Lamoglia, Marcela Silva; Silva, Gilbert; Fiorani, J.M.; Nugent, David; Vilasi, Michel; Coelho, Gilberto Carvalho; Nunes, Carlos Ângelo; Eleno, Luiz T. F.

doi:10.1016/j.jallcom.2021.160411

Cited by 6 publications

(2 citation statements)

References 34 publications

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“…Comparing the specific heat capacities of Nb 2 AN (A = Si, Ge, Sn) compounds, it is seen that C V (Nb 2 SiN) > C V (Nb 2 GeN) > C V (Nb 2 GeN). The slopes of heat capacities of Nb 2 AN (A = Si, Ge, Sn) decrease due to other parameters, such as anharmonic effects and electronic degrees of freedom, which is consistent with the expectation of Dulong–Petit law for the constant‐volume heat capacity 63 …”

Section: Resultssupporting

confidence: 86%

“…(B) Specific heat capacity C V of Nb 2 AN (A = Si, Ge, Sn) as a function of temperature freedom, which is consistent with the expectation of Dulong-Petit law for the constant-volume heat capacity. 63 As an effective TBCs material, its important requirement is to match the substrate with the CTE and to own low thermal conductivity. 64 The larger the difference of CTE is, the greater the thermal stress will be.…”

Section: Thermodynamic and Thermophysical Propertiesmentioning

confidence: 99%

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Study on the structural, mechanical, and dynamical stabilities and properties of Nb₂AN (A = Si, Ge, and Sn) MAX phases by first principle

Zeng

Zheng

et al. 2022

J Am Ceram Soc.

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In order to find a kind of MAX phase material suited for thermal barrier coating (TBC) field, the structural properties, mechanical properties, electronic structure, and thermal properties of Nb2AN (A = Si, Ge, and Sn) MAX phase compounds were studied by density functional theory. The results of cohesive energy, formation enthalpy, elastic constants, and lattice dynamics show that the Nb2AN (A = Si, Ge, and Sn) possess good structural stability, mechanical stability, and dynamical stability. Especially in Nb2SnN phase, although its calculated melting point is not the largest one among them, it possesses the best thermal shock resistance. Its coefficient of thermal expansion fits most suitably to the Ni‐based alloy in 300–1452 K and lowest lattice thermal conductivity force it to be an application prospect TBC material. Its mechanical performance is also good for its own smallest deformation of octahedron structure, highest ductileness, and lowest anisotropy. Electronic structure analysis shows that its lowest Debye temperature normalΘboldD${\Theta _{\bf{D}}}$ comes from its highest ionic degree and lowest covalency. Thus, our research provides a deep theoretical basis for the development of new MAX phase materials.

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Section: Resultssupporting

confidence: 86%

Section: Thermodynamic and Thermophysical Propertiesmentioning

confidence: 99%

Study on the structural, mechanical, and dynamical stabilities and properties of Nb₂AN (A = Si, Ge, and Sn) MAX phases by first principle

Zeng

Zheng

et al. 2022

J Am Ceram Soc.

View full text Add to dashboard Cite

show abstract

Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements

Sun,

Wang,

Shang

et al. 2024

Acta Materialia

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Thermodynamic reassessment of Fe–Nb–V system

Pan

Liu

et al. 2023

Calphad

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Heat capacity measurements of the Fe2Nb and Fe7Nb6 intermetallic compounds

Cited by 6 publications

References 34 publications

Study on the structural, mechanical, and dynamical stabilities and properties of Nb₂AN (A = Si, Ge, and Sn) MAX phases by first principle

Study on the structural, mechanical, and dynamical stabilities and properties of Nb₂AN (A = Si, Ge, and Sn) MAX phases by first principle

Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements

Thermodynamic reassessment of Fe–Nb–V system

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Heat capacity measurements of the Fe2Nb and Fe7Nb6 intermetallic compounds

Cited by 6 publications

References 34 publications

Study on the structural, mechanical, and dynamical stabilities and properties of Nb2AN (A = Si, Ge, and Sn) MAX phases by first principle

Study on the structural, mechanical, and dynamical stabilities and properties of Nb2AN (A = Si, Ge, and Sn) MAX phases by first principle

Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements

Thermodynamic reassessment of Fe–Nb–V system

Contact Info

Product

Resources

About

Study on the structural, mechanical, and dynamical stabilities and properties of Nb₂AN (A = Si, Ge, and Sn) MAX phases by first principle

Study on the structural, mechanical, and dynamical stabilities and properties of Nb₂AN (A = Si, Ge, and Sn) MAX phases by first principle