Path integral Monte Carlo simulations of warm dense sodium

Zhang, Shuai; Driver, Kevin P.; Soubiran, François; Militzer, Burkhard

doi:10.1016/j.hedp.2016.09.004

Title: Path integral Monte Carlo simulations of warm dense sodium

Full Record
Other Related Research

Authors:: Zhang, Shuai; Driver, Kevin P.; Soubiran, François; Militzer, Burkhard

Publication Date:: Thu Dec 01 00:00:00 EST 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1402510

Grant/Contract Number:: SC0010517; SC0016248

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: High Energy Density Physics

Additional Journal Information:: Journal Name: High Energy Density Physics Journal Volume: 21 Journal Issue: C; Journal ID: ISSN 1574-1818

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Zhang, Shuai, Driver, Kevin P., Soubiran, François, and Militzer, Burkhard. Path integral Monte Carlo simulations of warm dense sodium.  Netherlands: N. p., 2016. 
Web.  doi:10.1016/j.hedp.2016.09.004.

Copy to clipboard


                    Zhang, Shuai, Driver, Kevin P., Soubiran, François, & Militzer, Burkhard. Path integral Monte Carlo simulations of warm dense sodium.  Netherlands.  https://doi.org/10.1016/j.hedp.2016.09.004

Copy to clipboard


                    Zhang, Shuai, Driver, Kevin P., Soubiran, François, and Militzer, Burkhard. Thu .  
"Path integral Monte Carlo simulations of warm dense sodium".  Netherlands.  https://doi.org/10.1016/j.hedp.2016.09.004.

Copy to clipboard


                    
@article{osti_1402510,

  title        = {Path integral Monte Carlo simulations of warm dense sodium},

  author       = {Zhang, Shuai and Driver, Kevin P. and Soubiran, François and Militzer, Burkhard},

  abstractNote = {},

  doi          = {10.1016/j.hedp.2016.09.004},

  journal      = {High Energy Density Physics},

  number       = C,

  volume       = 21,

  place        = {Netherlands},

  year         = {Thu Dec 01 00:00:00 EST 2016},

  month        = {Thu Dec 01 00:00:00 EST 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.hedp.2016.09.004

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 9 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Path integral Monte Carlo simulations of warm dense sodium

Journal Article Zhang, Shuai ; Driver, Kevin P. ; Soubiran, François ; ... - High Energy Density Physics

Not provided.
https://doi.org/10.1016/j.hedp.2016.09.004
Path integral Monte Carlo simulations of warm dense aluminum

Journal Article Driver, K. P. ; Soubiran, F. ; Militzer, B. - Physical Review E
Cited by 48
https://doi.org/10.1103/PhysRevE.97.063207

Full Text Available
Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas

Journal Article Zhang, Shuai ; Militzer, Burkhard ; Benedict, Lorin X. ; ... - Journal of Chemical Physics

Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of state (EOSs) of hydrocarbons are valuable for various studies from inertial confinement fusion to planetary science. By combining path integral Monte Carlo (PIMC) results at high temperatures and density functional theory molecular dynamics results at lower temperatures, we compute the EOSs for hydrocarbons from simulations performed at 1473 separate (ρ, T)-points distributed over a range of compositions. These methods accurately treat electronic excitation effects with neither adjustable parameter nor experimental input. PIMC is also an accurate simulation methodmore »« less
Cited by 29
https://doi.org/10.1063/1.5001208

Full Text Available
Path Integral Monte Carlo Simulations of Warm Dense Matter and Plasmas

Technical Report Militzer, Burkhard

New path integral Monte Carlo simulation (PIMC) techniques will be developed and applied to derive the equation of state (EOS) for the regime of warm dense matter and dense plasmas where existing first-principles methods cannot be applied. While standard density functional theory has been used to accurately predict the structure of many solids and liquids up to temperatures on the order of 10,000 K, this method is not applicable at much higher temperature where electronic excitations become important because the number of partially occupied electronic orbitals reaches intractably large numbers and, more importantly, the use of zero-temperature exchange-correlation functionals introducesmore »« less
https://doi.org/10.2172/1416870

Full Text Available
Path integral Monte Carlo and density functional molecular dynamics simulations of warm dense ${MgSiO}_{3}$

Journal Article González-Cataldo, Felipe ; Soubiran, François ; Peterson, Henry ; ... - Physical Review B

In order to provide a comprehensive theoretical description of MgSiO₃ at extreme conditions, we combine results from path integral Monte Carlo and density functional molecular dynamics simulations and generate a consistent equation of state for this material. We consider a wide range of temperature and density conditions from 10⁴ to 10⁸ K and from 0.321 to 64.2 g/cm^-3 (0.1- to 20-fold the ambient density). We study how the L and K shell electrons are ionized with increasing temperature and pressure. We derive the shock Hugoniot curve and compare with experimental results. Our Hugoniot curve is in good agreement with themore »« less
Cited by 11
https://doi.org/10.1103/PhysRevB.101.024107

Full Text Available

Similar Records