Isothermal section of the Pd–Cu–In system at 500°С

Ptashkina, Evgeniya A.; Kabanova, E. G.; Калмыков, К. Б.; Kuznetsov, V. N.; Zhmurko, G. P.

doi:10.1016/j.jallcom.2020.156166

Cited by 10 publications

(6 citation statements)

References 17 publications

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“…Since the atoms of indium, tin, and palladium have very similar values of atomic X-ray scattering factors [ 24 ], superstructure reflections intensity was essentially zero. For this reason, to determine the crystal structure of In-type tetragonal phases in samples 1–6, 8–11, and 13, we used an approach similar to that described in [ 20 , 21 ]. This approach is based on the results of [ 8 , 9 , 25 ], who found that in the In–Pd binary system, the low-temperature modification of InPd 3 (Al 3 Ti-structure) and the high-temperature modification of the InPd 3 compound (Al 3 Zr-structure) differ in the ratio of c/a parameters for their face-centered pseudocubic subcells.…”

Section: Resultsmentioning

confidence: 99%

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Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling

et al. 2023

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Phase equilibria in the In–Pd–Sn system were investigated by a combination of key experiments and thermodynamic modeling. Partial isothermal sections at 500 °C and 800 °C of the In–Pd–Sn system for Pd contents above 66 at.% have been plotted experimentally using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM/EDX) and X-ray diffraction (XRD). The solubility of the third component in binary compounds InPd3 and Pd3Sn was determined. The new ternary compound τ1 was found in Pd contents ranging from 20 to 25 at.% and at Sn contents varying from 5 to approximately 17 at.% Sn. This compound crystallizes in an Al3Ti-type tetragonal structure. Isostructural InPd2 and Pd2Sn phases from the In–Pd and Pd–Sn binary compositions form a continuous phase field in the ternary system at both temperatures. The temperatures of the solidus, liquidus, and phase transitions of the alloys along the Pd–In50Sn50 line were measured using DTA/DSC. Thermodynamic calculation of the In–Pd–Sn ternary system is performed using the CALPHAD method using the Thermo-Calc® software. The thermodynamic properties of the disordered fcc and liquid phases were described by the Redlich–Kister–Muggianu model. To describe intermetallic phases, namely, InPd3, Pd3Sn, τ1 and Pd2(InxSn1−x), a two-sublattice models was used. Thermodynamic description of the In–Pd–Sn system obtained in this study is in good agreement both with our results and the published experimental data

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Section: Resultsmentioning

confidence: 99%

“…At 800 °C, the annealing time was 1680 h (14 samples), and at 500 °C for 3600 h (18 samples). The high content of palladium in the alloys and the previous studies of the authors of similar systems with palladium [ 20 , 21 ] were taken into account when choosing the annealing time.…”

Section: Methodsmentioning

confidence: 99%

Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling

et al. 2023

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“…According to their investigation, among the three independent crystallographic positions of Al 3 Ti‐type InPd 3 (2 a for In1, 2 b for Pd1, and 4 d for Pd2), Cu substitutes Pd1 (2 b ) for InPd 3‐x Cu x whereas Pd2 (4 d ) remains unaffected throughout the homogeneity range. At the limiting composition InPd 2 Cu, Cu completely occupies the 2 b position and 4 d position remained completely occupied by Pd [21] …”

Section: Introductionmentioning

confidence: 97%

“…At the limiting composition InPd 2 Cu, Cu completely occupies the 2b position and 4d position remained completely occupied by Pd. [21] Selective chemical substitutions in binary intermetallic compounds are unusual and very few reports are found in the literature. Gd 3 Co x Ni 2-x is one such example, where Co gradually substitutes one of the two Ni positions of monoclinic Dy 3 Ni 2type Gd 3 Ni 2 , and at the limiting composition Gd 3 CoNi, Co completely occupies the Ni-position without changing the structure prototype, Co doesn't affect the other Ni position.…”

Section: Introductionmentioning

confidence: 99%

Selective Chemical Substitution of Cu in the Structure of TiAl₃ Type InPd₃: Experimental and Theoretical Studies

et al. 2022

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InPd 3-x Cu x (x = 0-1) were prepared by high temperature synthesis starting from the highly pure constituent elements. The crystal structures were determined by X-ray diffraction. In the structure of InPd 3-x Cu x (x = 0-1), Cu stabilizes the TiAl 3 -type InPd 3 and selectively substitutes one of the two Pd positions and at the limiting composition ordered InPd 2 Cu is formed where Cu completely occupies that position. The intriguing selective substitution was investigated by first-principles total energy calculations followed by electronic structure and chemical bonding analysis.

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“…The formation of perfectly ordered InPd2Cu is particularly noteworthy, as it suggests that the ordering may be driven by a combination of size, electronegativity, and valence electron concentration effects, as well as the crystal symmetry and bonding interactions. [15,16].…”

Section: Introductionmentioning

confidence: 99%

Selective Chemical Substitution in Intermetallic Compounds: DFT Study of Two Representative Cases: Cu5Zn3Sb2 and InPd2Cu

Roy

Kuila

2023

Preprint

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The unique site substitution of Zn in the structure of tetragonal Cu3Zn2Sb2 and the substitution of Cu in the binary InPd3, followed by the formation of Cu5Zn3Sb2 and InPd2Cu has been addressed from fundamental perspectives. First principles total energy calculations, and semi-empirical electronic structure calculations using both the density of states, crystal orbital Hamilton population, and Mulliken population analysis were performed to understand the observed compositional range for both the titled cases and to address the “coloring problem” for the experimentally observed site preferences.

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Isothermal section of the Pd–Cu–In system at 500°С

Cited by 10 publications

References 17 publications

Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling

Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling

Selective Chemical Substitution of Cu in the Structure of TiAl₃ Type InPd₃: Experimental and Theoretical Studies

Selective Chemical Substitution in Intermetallic Compounds: DFT Study of Two Representative Cases: Cu5Zn3Sb2 and InPd2Cu

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Isothermal section of the Pd–Cu–In system at 500°С

Cited by 10 publications

References 17 publications

Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling

Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling

Selective Chemical Substitution of Cu in the Structure of TiAl3 Type InPd3: Experimental and Theoretical Studies

Selective Chemical Substitution in Intermetallic Compounds: DFT Study of Two Representative Cases: Cu5Zn3Sb2 and InPd2Cu

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Selective Chemical Substitution of Cu in the Structure of TiAl₃ Type InPd₃: Experimental and Theoretical Studies