Thermal transport by electrons and ions in warm dense aluminum: A combined density functional theory and deep potential study
We propose an efficient scheme that combines density functional theory (DFT) with deep potentials (DPs), to systematically study convergence issues in the computation of the electronic thermal conductivity of warm dense aluminum (2.7 g/cm3 and temperatures ranging from 0.5 eV to 5.0 eV) with respect...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2021-03-01
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| Series: | Matter and Radiation at Extremes |
| Online Access: | http://dx.doi.org/10.1063/5.0030123 |