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First principles nonequilibrium plasma mixing.

C Ticknor1, S D Herring1, F Lambert2

  • 1Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|March 4, 2014
PubMed
Summary
This summary is machine-generated.

Simulations show that deuterium-tritium and carbon interpenetration in warm, dense matter follows Fick's law at longer times. Shorter timescales reveal non-Fickian dynamics governed by electron density.

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Area of Science:

  • Plasma Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Understanding material interpenetration is crucial for inertial confinement fusion (ICF) targets.
  • Warm, dense matter (WDM) presents unique challenges due to combined quantum and classical effects.

Purpose of the Study:

  • To investigate the interpenetration dynamics of deuterium-tritium (DT) and carbon (C) in WDM.
  • To compare classical and quantum mechanical simulation results for diffusion processes.

Main Methods:

  • Nonequilibrium classical molecular dynamics (MD) with Yukawa potential.
  • Quantum-mechanical MD using orbital-free density functional theory (OF-DFT).
  • Simulations covered densities of 2.5-5.5 g/cm³ and temperatures of 10-100 eV.

Main Results:

  • At times > 1 ps, component concentrations follow Fick's law for a classical fluid.
  • Diffusion is governed by the mutual diffusion coefficient of the mixed system.
  • At times < 1 ps, non-Fickian dynamics are observed, influenced by electron probability density.

Conclusions:

  • Classical and quantum simulations provide insights into WDM diffusion.
  • Fick's law is applicable at longer timescales, but microscopic effects dominate early dynamics.
  • Accurate modeling of electron density is essential for understanding early-stage interpenetration.