Two-temperature pair potentials and phonon spectra for simple metals in the warm dense matter regime

Download
  1. Get@NRC: Two-temperature pair potentials and phonon spectra for simple metals in the warm dense matter regime (Opens in a new window)
DOIResolve DOI: http://doi.org/10.1002/ctpp.201400092
AuthorSearch for: ; Search for: ; Search for: ; Search for:
TypeArticle
Journal titleContributions to Plasma Physics
ISSN0863-1042
Volume55
Issue2-Mar
Pages144151; # of pages: 8
AbstractWe develop ion-ion pair potentials for Al, Na and K for densities and temperatures relevant to the warm-densematter (WDM) regime. Furthermore, we emphasize non-equilibrium states where the ion temperature Ti differs from the electron temperature Te. This work focuses mainly on ultra-fast laser-metal interactions where the energy of the laser is almost exclusively transferred to the electron sub-system over femtosecond time scales. This results in a two-temperature system with Te > Ti and with the ions still at the initial room temperature Ti = Tr. First-principles calculations, such as density functional theory (DFT) or quantum Monte Carlo, are as yet not fully feasible for WDM conditions due to lack of finite-T features, e.g. pseudopotentials, and extensive CPU time requirements. Simpler methods are needed to study these highly complex systems. We propose to use two-temperature pair potentials Uii(r, Ti, Te) constructed from linear-response theory using the non-linear electron density n (r) obtained from finite-T DFT with a single ion immersed in the appropriate electron fluid. We compute equilibrium phonon spectra at Tr which are found to be in very good agreement with experiments. This gives credibility to our non-equilibrium phonon dispersion relations which are important in determining thermophysical properties, stability, energy-relaxation mechanisms and transport coefficients.
Publication date
PublisherWiley
LanguageEnglish
AffiliationNational Research Council Canada; Security and Disruptive Technologies
Peer reviewedYes
NPARC number21275817
Export citationExport as RIS
Report a correctionReport a correction
Record identifier5f42d6e9-0306-406a-a7ee-e7d4ca3f4b1e
Record created2015-07-14
Record modified2016-05-09
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)