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Title: Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory

Abstract

Here, electronic transport properties of warm dense matter, such as electrical/thermal conductivities and nonadiabatic stopping power, are of particular interest to geophysics, planetary science, astrophysics, and inertial confinement fusion (ICF). One example is the α-particle stopping power of dense deuterium–tritium (DT) plasmas, which must be precisely known for current small-margin ICF target designs to ignite. We have developed a time-dependent orbital-free density functional theory (TD-OF-DFT) method for ab initio investigations of the charged-particle stopping power of warm dense matter. Our current dependent TD-OF-DFT calculations have reproduced the recently well-characterized stopping power experiment in warm dense beryllium. Forα-particle stopping in warm and solid-density DT plasmas, the ab initio TD-OF-DFT simulations show a lower stopping power up to ~25% in comparison with two stopping-power models widely used in the high-energy-density physics community.

Authors:
 [1];  [2];  [1];  [2];  [2]
  1. Univ. of Rochester, Rochester, NY (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Rochester, Rochester, NY (United States). Lab. for Laser Energetics
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
Contributing Org.:
Laboratory for Laser Energetics, University of Rochester
OSTI Identifier:
1479956
Alternate Identifier(s):
OSTI ID: 1475096; OSTI ID: 1476999
Report Number(s):
LA-UR-18-23762; 2018-62, 1-438, 2-396
Journal ID: ISSN 0031-9007; PRLTAO
Grant/Contract Number:  
AC52-06NA25396; NA0001944
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 14; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Citation Formats

Ding, Y. H., White, A. J., Hu, S. X., Certik, O., and Collins, L. A. Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.145001.
Ding, Y. H., White, A. J., Hu, S. X., Certik, O., & Collins, L. A. Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory. United States. doi:10.1103/PhysRevLett.121.145001.
Ding, Y. H., White, A. J., Hu, S. X., Certik, O., and Collins, L. A. Mon . "Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory". United States. doi:10.1103/PhysRevLett.121.145001. https://www.osti.gov/servlets/purl/1479956.
@article{osti_1479956,
title = {Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory},
author = {Ding, Y. H. and White, A. J. and Hu, S. X. and Certik, O. and Collins, L. A.},
abstractNote = {Here, electronic transport properties of warm dense matter, such as electrical/thermal conductivities and nonadiabatic stopping power, are of particular interest to geophysics, planetary science, astrophysics, and inertial confinement fusion (ICF). One example is the α-particle stopping power of dense deuterium–tritium (DT) plasmas, which must be precisely known for current small-margin ICF target designs to ignite. We have developed a time-dependent orbital-free density functional theory (TD-OF-DFT) method for ab initio investigations of the charged-particle stopping power of warm dense matter. Our current dependent TD-OF-DFT calculations have reproduced the recently well-characterized stopping power experiment in warm dense beryllium. Forα-particle stopping in warm and solid-density DT plasmas, the ab initio TD-OF-DFT simulations show a lower stopping power up to ~25% in comparison with two stopping-power models widely used in the high-energy-density physics community.},
doi = {10.1103/PhysRevLett.121.145001},
journal = {Physical Review Letters},
number = 14,
volume = 121,
place = {United States},
year = {2018},
month = {10}
}

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Works referenced in this record:

XXXIX. On the α particles of radium, and their loss of range in passing through various atoms and molecules
journal, September 1905

  • Bragg, W. H.; Kleeman, R.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 10, Issue 57
  • DOI: 10.1080/14786440509463378

Zur Theorie des Durchgangs schneller Korpuskularstrahlen durch Materie
journal, January 1930


Radiation testing of GLAST LAT tracker ASICs
journal, June 2004

  • Rando, R.; Bangert, A.; Bisello, D.
  • IEEE Transactions on Nuclear Science, Vol. 51, Issue 3
  • DOI: 10.1109/TNS.2004.829578

Analytical model for ion stopping power and range in the therapeutic energy interval for beams of hydrogen and heavier ions
journal, August 2016

  • Donahue, William; Newhauser, Wayne D.; Ziegler, James F.
  • Physics in Medicine and Biology, Vol. 61, Issue 17
  • DOI: 10.1088/0031-9155/61/17/6570

Influence of the Electronic Stopping Power on the Damage Rate of Yttrium-Iron Garnets Irradiated by High-Energy Heavy Ions
journal, February 1987


Energy loss of ions moving through high-density matter
journal, August 1977


Energy loss and straggling of ions with any velocity in dense plasmas at any temperature
journal, July 1982


Charged-particle stopping powers in inertial confinement fusion plasmas
journal, May 1993


Erratum: Charged-Particle Stopping Powers in Inertial Confinement Fusion Plasmas [Phys. Rev. Lett. 70 , 3059 (1993)]
journal, May 2015


Energy loss of fast particles in confined atomic systems at very high temperatures
journal, April 1987


Charged particle motion in a highly ionized plasma
journal, May 2005


Charged particle stopping power effects on ignition: Some results from an exact calculation
journal, May 2008


Stopping power of dense plasmas: The collisional method and limitations of the dielectric formalism
journal, February 2018


Ab initio study of deuterium in the dissociating regime: Sound speed and transport properties
journal, November 2001


Dynamical and optical properties of warm dense hydrogen
journal, April 2001


Density-functional calculations of the liquid deuterium Hugoniot, reshock, and reverberation timing
journal, August 2003


Effect of Intense Laser Irradiation on the Lattice Stability of Semiconductors and Metals
journal, February 2006


Thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations
journal, May 2008


Ab Initio Determination of Thermal Conductivity of Dense Hydrogen Plasmas
journal, February 2009


Path integrals in the theory of condensed helium
journal, April 1995


Path Integral Monte Carlo Calculation of the Deuterium Hugoniot
journal, August 2000


First-principles equation-of-state table of deuterium for inertial confinement fusion applications
journal, December 2011


The properties of hydrogen and helium under extreme conditions
journal, November 2012

  • McMahon, Jeffrey M.; Morales, Miguel A.; Pierleoni, Carlo
  • Reviews of Modern Physics, Vol. 84, Issue 4
  • DOI: 10.1103/RevModPhys.84.1607

Electrical conductivity for warm, dense aluminum plasmas and liquids
journal, August 2002


Plastic ablator and hydrodynamic instabilities: A first-principles set of microscopic coefficients
journal, August 2012


First-principles thermal conductivity of warm-dense deuterium plasmas for inertial confinement fusion applications
journal, April 2014


Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage
journal, May 2012


Erratum: Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage [Phys. Rev. Lett. 108 , 213201 (2012)]
journal, August 2012


Accurate atomistic first-principles calculations of electronic stopping
journal, January 2015


Ab initio electronic stopping power of protons in bulk materials
journal, January 2016


Time-dependent density-functional theory for the stopping power of an interacting electron gas for slow ions
journal, March 2005


Stopping power beyond the adiabatic approximation
journal, June 2017


Examining real-time time-dependent density functional theory nonequilibrium simulations for the calculation of electronic stopping power
journal, September 2017


X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition
journal, March 2016


Extrasolar Planets: Constraints for Planet Formation Models
journal, October 2005


The Potential of White Dwarf Cosmochronology
journal, April 2001

  • Fontaine, G.; Brassard, P.; Bergeron, P.
  • Publications of the Astronomical Society of the Pacific, Vol. 113, Issue 782
  • DOI: 10.1086/319535

The angular momentum of isolated white dwarfs
journal, January 2013


Symmetric Inertial Confinement Fusion Implosions at Ultra-High Laser Energies
journal, January 2010


Strong Coupling and Degeneracy Effects in Inertial Confinement Fusion Implosions
journal, June 2010


In-Flight Measurements of Capsule Shell Adiabats in Laser-Driven Implosions
journal, July 2011


Large-scale molecular dynamics simulations of dense plasmas: The Cimarron Project
journal, March 2012

  • Graziani, Frank R.; Batista, Victor S.; Benedict, Lorin X.
  • High Energy Density Physics, Vol. 8, Issue 1
  • DOI: 10.1016/j.hedp.2011.06.010

Measurement of Charged-Particle Stopping in Warm Dense Plasma
journal, May 2015


Measurements of Ion Stopping Around the Bragg Peak in High-Energy-Density Plasmas
journal, November 2015


Energy loss of heavy ions in a plasma target
journal, August 1990


Stopping of Heavy Ions in a Hydrogen Plasma
journal, February 1995


Energy loss of heavy ions in laser-produced plasmas
journal, April 2000


Reaction-in-flight neutrons as a test of stopping power in degenerate plasmas
journal, August 2015

  • Hayes, A. C.; Jungman, Gerard; Schulz, A. E.
  • Physics of Plasmas, Vol. 22, Issue 8
  • DOI: 10.1063/1.4928104

Experimental discrimination of ion stopping models near the Bragg peak in highly ionized matter
journal, June 2017

  • Cayzac, W.; Frank, A.; Ortner, A.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15693

Molecular Dynamics Simulations of Classical Stopping Power
journal, November 2013


Dynamic properties of the energy loss of multi-MeV charged particles traveling in two-component warm dense plasmas
journal, December 2016


Very-high-temperature molecular dynamics
journal, January 2006


Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981


Kinetic-energy functional of the electron density
journal, June 1992


Dynamic kinetic energy potential for orbital-free density functional theory
journal, April 2011

  • Neuhauser, Daniel; Pistinner, Shlomo; Coomar, Arunima
  • The Journal of Chemical Physics, Vol. 134, Issue 14
  • DOI: 10.1063/1.3574347

Eine anschauliche Deutung der Gleichung von Schr�dinger
journal, November 1926


Hydrodynamic theory of an electron gas
journal, December 1999


Quantum hydrodynamic model for the nonlinear electron dynamics in thin metal films
journal, October 2008


Quantum hydrodynamic theory for plasmonics: Impact of the electron density tail
journal, May 2016


Current-dependent potential for nonlocal absorption in quantum hydrodynamic theory
journal, June 2017


Hydrodynamic model of the collective electron resonances in C 60 fullerene
journal, August 2017

  • Gildenburg, V. B.; Pavlichenko, I. A.
  • Physics of Plasmas, Vol. 24, Issue 8
  • DOI: 10.1063/1.4994314

Solution of the Schrödinger equation by a spectral method
journal, September 1982


Observations of Plasmons in Warm Dense Matter
journal, February 2007


Srim-2003
journal, June 2004

  • Ziegler, James F.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 219-220
  • DOI: 10.1016/j.nimb.2004.01.208

Electronic Stopping Power in LiF from First Principles
journal, December 2007


Demonstration of Spectrally Resolved X-Ray Scattering in Dense Plasmas
journal, May 2003


Inelastic X-Ray Scattering from Shocked Liquid Deuterium
journal, December 2012


    Works referencing / citing this record:

    Wave packet molecular dynamics-density functional theory method for non-ideal plasma and warm dense matter simulations
    journal, March 2019

    • Lavrinenko, Yaroslav S.; Morozov, Igor V.; Valuev, Ilya A.
    • Contributions to Plasma Physics, Vol. 59, Issue 4-5
    • DOI: 10.1002/ctpp.201800179

    Anomalous material-dependent transport of focused, laser-driven proton beams
    journal, December 2018


    High-order two-fluid plasma solver for direct numerical simulations of plasma flows with full transport phenomena
    journal, January 2019


    Exploring the crossover between high-energy-density plasma and ultracold neutral plasma physics
    journal, October 2019

    • Bergeson, Scott D.; Baalrud, Scott D.; Ellison, C. Leland
    • Physics of Plasmas, Vol. 26, Issue 10
    • DOI: 10.1063/1.5119144

    Electronic stopping power for slow ions in the low-hardness semimetal HgTe using first-principles calculations
    journal, December 2019

    • Fu, Yan-Long; Zhang, Zhao-Jun; Li, Chang-kai
    • Journal of Physics: Condensed Matter, Vol. 32, Issue 10
    • DOI: 10.1088/1361-648x/ab598c

    Multicomponent mutual diffusion in the warm, dense matter regime
    journal, September 2019