Comparison of electron transport calculations in warm dense matter using the Ziman formula
| Autor: | Marc R.J. Charest, Daniel Burrill, Charles Starrett, David V. Feinblum |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Physics
Nuclear and High Energy Physics Range (particle radiation) Radiation Warm dense matter 01 natural sciences Electron transport chain 010305 fluids & plasmas Computational physics Molecular dynamics Electrical resistivity and conductivity 0103 physical sciences Physics::Atomic and Molecular Clusters Density functional theory Atomic physics 010306 general physics Dense matter |
| Zdroj: | High Energy Density Physics. 19:1-10 |
| ISSN: | 1574-1818 |
| Popis: | The Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudo-atom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested through a comparison to the accurate, but expensive Kohn–Sham density functional theory molecular dynamics (KS-DFT-MD) calculations. The comparison is made for several elements and mixtures and for a wide range of temperatures and densities, and reveals a preferred method that generally gives very good agreement with the KS-DFT-MD results, but at a fraction of the computational cost. |
| Databáze: | OpenAIRE |
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