Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we calculate the self-diffusion coefficient, the viscosity coefficient, the electrical and thermal conductivities, and the reflectivity coefficient of hydrogen and aluminum plasmas. Very good agreement is found with orbital-based Kohn-Sham DFT calculations at lower temperatures. Because the computational costs of the method do not increase with temperature, we can produce results at much higher temperatures than is accessible by the Kohn-Sham method. Our results for warm dense aluminum at solid density are inconsistent with the recent experimental results reported by Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)].
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Fusion Energy Sciences (FES)
- Grant/Contract Number:
- AC52-06NA25396
- OSTI ID:
- 1406202
- Alternate ID(s):
- OSTI ID: 1228441
- Report Number(s):
- LA-UR-15-27493; PLEEE8
- Journal Information:
- Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, Vol. 92, Issue 6; ISSN 1539-3755
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Observations of non-linear plasmon damping in dense plasmas
|
journal | May 2018 |
Orbital-free density functional theory for materials research
|
journal | January 2018 |
| First-Principles Determination of Electron-Ion Couplings in the Warm Dense Matter Regime | text | January 2019 |
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