Theoretical investigation of the Pt3Al ground state

Chauke, Hasani; Minisini, Benoît; Drautz, Ralf; Nguyen-Manh, D.; Ngoepe, Phuti E.; Pettifor, D. G.

doi:10.1016/j.intermet.2009.08.016

Cited by 44 publications

(21 citation statements)

References 27 publications

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“…It was also reported that it could transform to two other tetragonal structures at lower temperatures [157]. Bronger et al [13] adopted a GaPt 3 tetragonal structure to analyze their experimental data, while the Cu 3 Au structure is in more agreement with our experimental data.…”

Section: Platinum/alumina Powder Mixture Interactionsupporting

confidence: 81%

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Developing a High Density Pt/Alumina Hermetic Feedthrough

Karbasi¹

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I would like to offer my special thank Ross Hrubiak for his limitless help during high temperature X-ray synchrotron experiments. We worked together for more than 16 hours every day. During that time, however Ross taught me all aspects about the synchrotron. I couldn't imagine synchrotron study without him. v I would also want to offer my special thanks to Ali Hadjikhani for his help in different aspects of this project. Ali helped me with sample preparation and FIB analysis of the sample.He was also available whenever I needed for discussion. He was always ready to help beyond his limit at any hour of the day. Seven platinum powders with different particle sizes were used to develop different conductive cofire inks to control the densification mismatch between platinum and alumina.Firing profile (ramp rate, burn-out and holding times) and firing atmosphere and concentrations (hydrogen (wet/dry), air, neutral, vacuum) were also optimized. Platinum and alumina exhibit the alloy formation reaction in a reduced atmosphere. Formation of any compound can increase the bonding of the metal/ceramic interface, resulting in enhanced hermeticity. The alumina dissolves into the platinum ink and is redeposited as a surface coating. This was observed on both cofired samples and pure platinum thin films coated on a 99.6 Wt% alumina and fired at 1550 °C. Different mechanisms are proposed to describe this behavior based on the size of the platinum particle.

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Section: Platinum/alumina Powder Mixture Interactionsupporting

confidence: 81%

“…Pt 3 Al in temperature lower than 400 °C has tetragonal crystal structure [157]. Pt 8 Al 21 also has the same crystal structure [149].…”

Section: Platinum/alumina Powder Mixture Interactionmentioning

confidence: 98%

Developing a High Density Pt/Alumina Hermetic Feedthrough

Karbasi¹

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“…В качестве ориентира была выбрана трехмерная модель упорядоченного сплава Pt 3 Al [24], со сверхструктурой L1 2 поскольку известно, что в фононном спектре моде-ли этого сплава (во всяком случае, двумерной) широкая запрещенная зона и возможна локализация энергии на ДБ [25].…”

Section: о постановке задачи и используемой моделиunclassified

About energy localization of nonlinear and linear oscillations of atoms in a model of crystal lattice of A3B stehiometry

Medvedev¹,

Старостенков²,

Zakharov³

et al. 2013

LoM

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“…As one of the most valuable intermetallic compounds, the L1 2 phase has been also extensively investigated. Chauke et al have performed DFT calculations to examine the heats of formation, elastic modulus and the phonon dispersion curves of four different structure-types of Pt 3 Al at absolute zero pressure [8]. The tetragonal DO c structure is found to collapse to the cubic L1 2 structure.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of the elastic and thermodynamic properties of Pt_{3}Al with the L1_{2} structure under high pressure

Wei¹,

Zhang²,

Hou³

2015

Condens. Matter Phys.

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In this work, the elastic and thermodynamic properties of Pt 3 Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at zero pressure are in good agreement with the available theoretical and experimental values. Under high pressure, all the elastic constants meet the corresponding mechanical stability criteria, meaning that Pt 3 Al possesses mechanical stability. In addition, the elastic constants and elastic modulus increase linearly with the applied pressure. According to the Poisson's ratio ν and elastic modulus ratio (B /G), Pt 3 Al alloy is found to be ductile, and higher pressure can significantly enhance the ductility. Those indicate that the elastic properties of Pt 3 Al will be improved under high pressure. Through the quasi-harmonic Debye model, we first successfully report the variations of the Debye temperature Θ D , specific heats C P , thermal expansion coefficient α, and Grüneisen parameter γ under pressure range from 0 to 100 GPa and temperature range from 0 to 1000 K.

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Theoretical investigation of the Pt3Al ground state

Cited by 44 publications

References 27 publications

Developing a High Density Pt/Alumina Hermetic Feedthrough

Developing a High Density Pt/Alumina Hermetic Feedthrough

About energy localization of nonlinear and linear oscillations of atoms in a model of crystal lattice of A3B stehiometry

Theoretical study of the elastic and thermodynamic properties of Pt_{3}Al with the L1_{2} structure under high pressure

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