Thermodynamic properties and lattice misfit of Ir-based superalloys

Liang, Chaoping; Gong, H.R.

doi:10.1016/j.intermet.2012.09.014

Cited by 20 publications

(7 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Phonon DOS has a strong impact on thermodynamic properties. The electron excitation becomes easier with higher phonon DOS [50]. Figure 5 depicts the phonon density of states of Ir 1−x Rh x alloys with different concentrations.…”

Section: Thermal Propertiesmentioning

confidence: 99%

Ab initio study of structural, electronic, and thermal properties of Ir_{1-x}Rh_{x} alloys

Ahmed¹,

Zafar²,

Shakil³

et al. 2015

Condens. Matter Phys.

View full text Add to dashboard Cite

The structural, electronic, mechanical and thermal properties of Ir 1−x Rh x alloys were studied systematically using ab initio density functional theory at different concentrations (x = 0.00, 0.25, 0.50, 0.75, 1.00). A Special Quasirandom Structure method was used to make alloys having FCC structure with four atoms per unit cell. The ground state properties such as lattice constant and bulk modulus were calculated to find the equilibrium atomic position for stable alloys. The calculated ground state properties are in good agreement with the experimental and previously presented other theoretical data. The electronic band structure and density of states were calculated to study the electronic properties for these alloys at different concentrations. The electronic properties substantiate the metallic behavior of alloys. The first principle density functional perturbation theory as implemented in quasiharmonic approximation was used for the calculation of thermal properties. We have calculated the thermal properties such as Debye temperatures, vibration energy, entropy, constant-volume specific heat and internal energy. The ab initio linear-response method was used to calculate phonon densities of states.

show abstract

Section: Thermal Propertiesmentioning

confidence: 99%

Ab initio study of structural, electronic, and thermal properties of Ir_{1-x}Rh_{x} alloys

Ahmed¹,

Zafar²,

Shakil³

et al. 2015

Condens. Matter Phys.

View full text Add to dashboard Cite

show abstract

“…For example, the thermodynamic model of IrAl, IrAl 3 and Ir 2 Al 9 was studied by first-principle and CALPHAD simulations [14]. C P Liang et al found the correlation between temperature and heat capacities of Ir-based superalloys [15]. The phase equilibria relationship of ternary IreAleCu and IreAleNi alloys has been reported by D Kapush [16,17].…”

Section: Introductionmentioning

confidence: 99%

Iridium concentration driving the mechanical properties of iridium–aluminum compounds

Pan

Wen

Wang

et al. 2015

Journal of Alloys and Compounds

View full text Add to dashboard Cite

“…Yamabe [7] studied high temperature strength of Ir-Nb superalloys. Moreover, thermodynamic features and lattice misfits were discussed by Liang et al [15] in the framework of first principle calculations. However, only a few full electronic and elastic properties are found in the literature.…”

Section: Introductionmentioning

confidence: 99%

Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys

Arıkan

2019

Sakarya University Journal of Science

View full text Add to dashboard Cite

The mechanical, electronic and vibrational properties of Ir-based refractory superalloys (Ir3Hf and Ir3Nb) in the L12 structure were studied in the framework of ab initio calculations. The obtained equilibrium lattice constants and bulk modulus were reported and compared with the existing data. The elastic constants of alloys were determined using energy strain method. The results were utilised to evaluate mechanical stability of alloys in the crystal structure of L12. Both alloys were found to be mechanically stable based on the Pugh's criteria. Subsequently, electronic band structures and partial and total densities of states have been obtained for Ir3Hf and Ir3Nb. The band structures of alloys demonstrated metallic behaviour whilst the conductivity was mostly governed by Ir 5d states for both alloys. Moreover, phonon distribution curves of both alloys were obtained by employing the linear response technique within the density functional theory. Both alloys are found to be dynamically stable based on phonon modes evaluation.

show abstract

Thermodynamic properties and lattice misfit of Ir-based superalloys

Cited by 20 publications

References 27 publications

Ab initio study of structural, electronic, and thermal properties of Ir_{1-x}Rh_{x} alloys

Ab initio study of structural, electronic, and thermal properties of Ir_{1-x}Rh_{x} alloys

Iridium concentration driving the mechanical properties of iridium–aluminum compounds

Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys

Contact Info

Product

Resources

About