Equation of state and transport properties of an interacting multispecies plasma: Application to a multiply ionized Al plasma

Perrot, F.; Dharma‐wardana, M. W. C.

doi:10.1103/physreve.52.5352

Cited by 97 publications

(143 citation statements)

References 44 publications

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“…For T > E F /2,Z begins to increase beyond 3 and departs substantially from an integer (e.g.,Z = 3.5 at 20 eV ). It is thus clear that a multiple ionization model with several integral values ofZ, (e.g, a mixtureZ = 3 andZ = 4) should be used, as implemented in 1995 by Perrot and Dharma-wardana [11], for lower-density aluminum. The isochoric data σ ic reported in Fig.…”

Section: B Isochoric Conductivitymentioning

confidence: 99%

“…The NPA methods, e.g., that of Perrot and Dharmawardana, reduce the many-electron, many-ion problem to an effective one-electron, one-ion problem using DFT [10,11,48]. A Kohn-Sham (KS) calculation for a nucleus immersed in the plasma medium provides the bound and free KS states.…”

Section: Introductionmentioning

confidence: 99%

“…The NPA static conductivity is evaluated from the Ziman formula using the NPA pseudopotential U ei (k) and the ion structure factor S(k) [11] generated from the NPA pair potential V ii (r). The latter is used in the hypernetted-chain (HNC) equation or its modified (MHNC) form inclusive of bridge functions, assuming spherical symmetry appropriate to fluids.…”

Section: Introductionmentioning

confidence: 99%

“…The three conductivities σ ic , σ ib , and σ uf for Al, Li and C, are calculated via two first-principles methods where, however, both finally use a 'mean-free path' model to estimate the conductivity. The two methods are: (i) the neutral pseudoatom (NPA) method as formulated by Perrot and Dharma-wardana [6,[10][11][12] together with the Ziman formula, and (ii) the DFT+MD and KG approach as available in codes such as VASP and ABINIT [13], enabling us to assess the extent of the agreement among these theoretical methods and the available experiments. The liquid-metal experimental data are still the most accurate data on WDM systems available; they are used where possible to compare with calculations.…”

Section: Introductionmentioning

confidence: 99%

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Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

et al. 2017

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We study the conductivities σ of (i) the equilibrium isochoric state (σis), (ii) the equilibrium isobaric state (σ ib ), and also the (iii) non-equilibrium ultrafast matter (UFM) state (σ uf ) with the ion temperature Ti less than the the electron temperature Te. Aluminum, lithium and carbon are considered, being increasingly complex warm dense matter (WDM) systems, with carbon having transient covalent bonds. First-principles calculations, i.e., neutral-pseudoatom (NPA) calculations and density-functional theory (DFT) with molecular-dynamics (MD) simulations, are compared where possible with experimental data to characterize σic, σ ib and σ uf . The NPA σ ib are closest to the available experimental data when compared to results from DFT+MD, where simulations of about 64-125 atoms are typically used. The published conductivities for Li are reviewed and the value at a temperature of 4.5 eV is examined using supporting X-ray Thomson scattering calculations. A physical picture of the variations of σ with temperature and density applicable to these materials is given. The insensitivity of σ to Te below 10 eV for carbon, compared to Al and Li, is clarified.

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Section: B Isochoric Conductivitymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

et al. 2017

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“…The average charge state 3 = Z is correctly predicted by our model, UBCAM [16], and DFT [41] models in the range of plasma temperatures from ~5 eV to ~15 eV.…”

Section: A Benchmarking the Reodp Codementioning

confidence: 62%

Atomic and optical properties of warm dense copper

Miloshevsky

Hassanein

2015

Phys. Rev. E

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The emission of X-rays from warm dense matter is of great interest for both spectroscopic diagnostics and development of intense X-ray sources. We report the results from the collisionalradiative steady state (CRSS) modeling of atomic and optical properties of copper plasmas at near-solid and solid-state density for a range of temperatures. The CRSS model is validated against the available data on the average charge state and shifts of energy levels in aluminum and the opacity and emissivity spectra of carbon and aluminum plasmas. The average charge states, number density of ion species, and free electrons as a function of temperature are investigated for the solid-density copper plasma. Due to dense plasma environment the four outer electrons are found to be unbounded even in the low-temperature limit ~1 eV. As the temperature changes from 1 eV to 100 eV, the predominant species vary from five-fold to twelve-fold ionized copper ions. The opacity and emissivity spectra of dense copper plasmas are studied using the local thermodynamic equilibrium (LTE) and non-LTE approaches. It is found that the non-LTE effects are important in the spectral region of soft X-rays emitted from the K-shell. The emissivity in spectral lines is completely suppressed indicating the importance of the energy-dissipating radiative processes in this soft X-ray region. The line broadening and red shifts of the K-shell 2 and L-shell spectral lines toward higher wavelengths are observed with the increase of plasma density. These results have important implications for understanding the radiative properties of warm dense copper and can be useful for future experimental studies. * gennady@purdue.edu 3

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Properties of Hot Dense Plasmas by Orbital‐Free Molecular Dynamics

Lambert¹,

Clérouin

Mazevet

et al. 2007

Contrib. Plasma Phys.

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Quantum Molecular Dynamics simulations (QMD) based on Density Functional Theory (DFT) are now the tool of choice for describing the properties of matter in the warm dense regime (WDM). Thermodynamic and transport properties can be computed for pure phases and mixtures for a wide range of densities ρ0/10 < ρ < 2 − 5ρ0 (where ρ0 is the normal material density) and temperatures 0 < T < 10 eV. The existence of upper bounds in density and temperature is mainly due to the introduction of orbitals for evaluating the electron kinetic energy in the Kohn-Sham equations. To get rid of this time consuming part of the computation, we propose a model combining, in a consistent way an Orbital Free Density Functional approach based on the Thomas-Fermi approximation of the electron kinetic energy coupled with classical Molecular Dynamics for the ions (referred as OFMD model).Thanks to an efficient numerical scheme, up to thousand of particles can be propagated leading to accurate static and dynamical properties. Simulations on iron up to 5 keV and boron up to 10 times the normal density were performed. A comparison with linear screening theories using Yukawa's potentials was also done. This method bridges the gap between quantum and classical molecular dynamics in the field of hot-dense plasmas.

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Equation of state and transport properties of an interacting multispecies plasma: Application to a multiply ionized Al plasma

Cited by 97 publications

References 44 publications

Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

Atomic and optical properties of warm dense copper

Properties of Hot Dense Plasmas by Orbital‐Free Molecular Dynamics

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