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Title: Theoretical and experimental investigation of the equation of state of boron plasmas

Abstract

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1 104{5.2 108 K) and densities (0.25{49 g/cm3), and experimental shock Hugoniot data at unprecedented high pressures (5608 118 GPa). The calculations are performed with first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference <1.5 Hartree/boron in energy and <5% in pressure) at 5.1 105 K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions. We also study the sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on applying pressure multipliers to LEOS 50 and by utilizing a new EOS model based on our ab initio simulations via 1D radiation-hydrodynamic calculations. The results are valuablemore » for future theoretical and experimental studies and engineering design in high energy density research.« less

Authors:
 [1];  [2];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Univ. of California, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1512581
Alternate Identifier(s):
OSTI ID: 1466075
Report Number(s):
LLNL-JRNL-748227
Journal ID: ISSN 2470-0045; PLEEE8; 933253
Grant/Contract Number:  
AC52-07NA27344; SC0016248
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 98; Journal Issue: 2; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Citation Formats

Zhang, Shuai, Militzer, Burkhard, Gregor, Michelle C., Caspersen, Kyle, Yang, Lin H., Gaffney, Jim, Ogitsu, Tadashi, Swift, Damian, Lazicki, Amy, Erskine, D., London, Richard A., Celliers, P. M., Nilsen, Joseph, Sterne, Philip A., and Whitley, Heather D. Theoretical and experimental investigation of the equation of state of boron plasmas. United States: N. p., 2018. Web. doi:10.1103/PhysRevE.98.023205.
Zhang, Shuai, Militzer, Burkhard, Gregor, Michelle C., Caspersen, Kyle, Yang, Lin H., Gaffney, Jim, Ogitsu, Tadashi, Swift, Damian, Lazicki, Amy, Erskine, D., London, Richard A., Celliers, P. M., Nilsen, Joseph, Sterne, Philip A., & Whitley, Heather D. Theoretical and experimental investigation of the equation of state of boron plasmas. United States. doi:10.1103/PhysRevE.98.023205.
Zhang, Shuai, Militzer, Burkhard, Gregor, Michelle C., Caspersen, Kyle, Yang, Lin H., Gaffney, Jim, Ogitsu, Tadashi, Swift, Damian, Lazicki, Amy, Erskine, D., London, Richard A., Celliers, P. M., Nilsen, Joseph, Sterne, Philip A., and Whitley, Heather D. Thu . "Theoretical and experimental investigation of the equation of state of boron plasmas". United States. doi:10.1103/PhysRevE.98.023205. https://www.osti.gov/servlets/purl/1512581.
@article{osti_1512581,
title = {Theoretical and experimental investigation of the equation of state of boron plasmas},
author = {Zhang, Shuai and Militzer, Burkhard and Gregor, Michelle C. and Caspersen, Kyle and Yang, Lin H. and Gaffney, Jim and Ogitsu, Tadashi and Swift, Damian and Lazicki, Amy and Erskine, D. and London, Richard A. and Celliers, P. M. and Nilsen, Joseph and Sterne, Philip A. and Whitley, Heather D.},
abstractNote = {We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1 104{5.2 108 K) and densities (0.25{49 g/cm3), and experimental shock Hugoniot data at unprecedented high pressures (5608 118 GPa). The calculations are performed with first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference <1.5 Hartree/boron in energy and <5% in pressure) at 5.1 105 K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions. We also study the sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on applying pressure multipliers to LEOS 50 and by utilizing a new EOS model based on our ab initio simulations via 1D radiation-hydrodynamic calculations. The results are valuable for future theoretical and experimental studies and engineering design in high energy density research.},
doi = {10.1103/PhysRevE.98.023205},
journal = {Physical Review E},
number = 2,
volume = 98,
place = {United States},
year = {2018},
month = {8}
}

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