Assessment of the thermodynamic properties and phase diagram of the Bi–Pd system
| Autor: | Andrew J. Scott, Aleš Kroupa, Andrew Watson, J. Vřešt’ál, Jana Houserová, Jiří Pinkas |
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| Rok vydání: | 2006 |
| Předmět: |
Chemistry
General Chemical Engineering Ab initio Intermetallic Thermodynamics 02 engineering and technology General Chemistry Calorimetry 021001 nanoscience & nanotechnology 01 natural sciences Standard enthalpy of formation Computer Science Applications Condensed Matter::Materials Science Ab initio quantum chemistry methods 0103 physical sciences Binary system Physics::Chemical Physics 010306 general physics 0210 nano-technology CALPHAD Phase diagram |
| Zdroj: | Calphad. 30:14-17 |
| ISSN: | 0364-5916 |
| DOI: | 10.1016/j.calphad.2005.12.001 |
| Popis: | New experimental DTA, XRD, SEM, solution calorimetry and ab initio calculated results are used together with data from the literature to assess the thermodynamic parameters of the Bi–Pd system, necessary for calculation of the phase diagram by the CALPHAD method. Samples were prepared with compositions of 51 and 82 at.% Pd, and their homogeneity checked by SEM/EDX before being employed in DTA studies. High temperature solution calorimetry was used for the determination of the enthalpies of mixing of liquid Pd and Bi, in the range from 0 up to 50 at.% Pd at 1028 K. XRD determination of the structures of equilibrated samples after quenching to room temperature provided important information for the evaluation of structure. Ab initio electronic structure calculations provided information on the energetics of the intermetallic phases of the system. The calculated phase diagram was compared with new phase equilibrium data and with the data presented in the literature. |
| Databáze: | OpenAIRE |
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