A general model for thermal and electrical conductivity of binary metallic systems
| Autor: | Wolfgang Windl, Nikolas Antolin, Changdong Wei, Oscar D. Restrepo, Ji-Cheng Zhao |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Polymers and Plastics Condensed matter physics Metals and Alloys 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Electronic Optical and Magnetic Materials Thermal conductivity Electrical resistivity and conductivity 0103 physical sciences Thermal Ceramics and Composites Density of states Density functional theory Diffusion (business) 010306 general physics 0210 nano-technology Electron scattering CALPHAD |
| Zdroj: | Acta Materialia. 126:272-279 |
| ISSN: | 1359-6454 |
| DOI: | 10.1016/j.actamat.2016.12.047 |
| Popis: | We extended and updated Mott's two-band model for the composition-dependence of thermal and electrical conductivity in binary metal alloys based on high-throughput time-domain thermoreflectance (TDTR) measurements on diffusion multiples and scatterer-density calculations from first principles. Examining Au-Cu, Au-Ag, Pd-Ag, Pd-Cu, Pd-Pt, Pt-Rh, and Ni-Rh binary alloys, we found that the nature of the two dominant scatterer-bands considered in the Mott model changes with the alloys, and should be interpreted as a combination of the dominant element-specific s - and/or d -orbitals. Using orbital and element-resolved density-of-states values calculated with density functional theory as input, we determined the correct orbital mix that dominates electron scattering for all examined alloys and found excellent agreement between fitted models and experimental results. This general model of the composition dependence of the thermal and electrical resistivity can be readily implemented into the CALPHAD framework. |
| Databáze: | OpenAIRE |
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