spectral line shapes with strong collisions by plasma ... fileabstract: spectral line broadening is...

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The electron broadening operator, φ, is defined by the relaxation theory (Fano 1963) where L 1 is the Coulomb interaction and Δk 2 is the change in energy of the plasma electron. This is a complicated form and is not easily solved. Therefore a Taylor expansion is used for practical evaluation of φ: The third term of φ can be evaluated with the use of a projection operator (Fano 1963; Smith & Hooper 1967, Smith et al. 1969), but has been ignored due to the dipole approximation and is ignored even when <L 1 > is not assumed to be zero (Junkel et al. 2000). The back reaction does not exist in the impact theories of Baranger (1958) or Kolb & Griem (1958) For neutral hydrogen and ionized helium, the back-reaction term is fairly insignificant, but can contribute substantially to broadening of more highly-charged radiators and multi-electron systems, such as helium-like systems and carbon, sometimes resulting in factors of two increase. Spectral Line Shapes with Strong Collisions By Plasma Electrons Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. Interaction Potential The Interaction between radiators and perturbers is through the Coulomb interaction, which is commonly approximated with a Taylor expansion with only the dipole term is retained (dipole approximation), where r r is the coordinate of the radiator electron, r p is coordinate of plasma electron. At low densities, the dipole approximation is valid, though at high densities, this approximation breaks down and quadrupole terms become important (Kilcrease et al. 1993; Gomez et al. 2016) and at even higher densities, penetration becomes important (Woltz & Hooper 1984). When penetration occurs, then it is necessary to model the plasma electron with quantum motion and treat various effects, such as exchange. Atomic Back Reaction The total wavefunction of two identical particles needs to reflect the physical indistinguishability of the two particles (Bethe & Salpeter 1957), and when of the size if the radiator is small, then this can be approximated by retaining only the first term and ignoring exchange (O’Brien & Hooper 1974; Woltz & Hooper 1984; Junkel et al. 2000). However, for hydrogen, exchange is necessary to achieve correspondence between quantum and semi-classical calculations (see figure 1). Figure 1: Comparison of new quantum calculation with semi-classical calculation of Gomez et al. (2016); called Xenomorph. Neglect of exchange results in line shapes that are too wide; only when exchange and the effects of distortion are included However, for helium, our new calculations—with the details of exchange–were narrower than the semi-classical results of Kepple (1972); though the Coulomb-wave without exchange calculation agreed well. This result is contrary to the neutral hydrogen case. Figure 2 shows a comparison of Kepple’s calculation and our new detailed calculation with experiment. Figure 2. The experiment by Musielok et al. (1987) had independent density diagnostics, so no χ 2 fitting is used. Kepple’s semi-classical calculation and the Coulomb-wave calculation give results too wide for experiment. Only when we use the distorted- wave-with exchange can we match the data. Future Work : We want to extend these calculations to more complicated atoms like He-like or Li-like ions. This requires much greater effort since we cannot accurately treat line broadening by only the valence electron (Glenzer et al. 1992;1996) Thomas Gomez, Taisuke Nagayama, Dave Kicrease, Stephanie Hansen, Don Winget, Michael Montgomery Abstract : Spectral line broadening is important for modeling and understanding white dwarf atmospheres. Modeling the broadening of spectral lines is complex and requires approximations to keep the problem tractable. The Coulomb interaction between charged particles is usually approximated with a long-range dipole interaction (dot product of dipole moment with plasma electric field). This approximation is valid for low-density plasmas where the average distance between particles is greater than a few atomic radii. But for high densities, close-range interactions become important giving rise to several non-dipole effects: plasma polarization, quantum-particle exchange, atomic reaction to the collision, and line merging. We have so-far studied only hydrogen-like radiators due to the extra complexities with multi-electron radiators. The perturbing electrons are treated quantum mechanically, which can accurately account for energy exchange as well as charge exchange (which neglected by classical calculations). Including charge exchange reduces line widths nearly 50% for neutral hydrogen, but is less for more highly charged ions. Only when penetration and exchange are included do quantum-mechanical calculations agree with semi-classical calculations---which are known to be accurate---for neutral hydrogen. However, this correspondence does not happen for charged radiators. Plasma polarization, which is a measure of the average charge inside the radiator, is unimportant for neutral hydrogen, but is significant for charged radiators. Strong presence of plasma charge inside the radiator wavefunction induces a back reaction from the atom, which can significantly broaden spectral lines. Figure 3 demonstrates the effect of the atomic back reaction term. In this case we studied Li-like carbon, which can occur in hot white dwarfs. Even though this calculation ignores some exchange collision processes, we can get a sense for the importance of this term in the broadening. In this case of C IV, the widths increase substantially. This effect becomes more dramatic with increasing atomic number. Figure 3. Estimates of the size of the atomic back-reaction term, even with an approximate treatment of the atomic interaction, the back reaction can substantially broaden lines of more complex atoms References : Kilcrease, D.P., Mancini, R.C., & Hooper, C.F., 1993, PRE, 48,3901 Gomez, T.A., Nagayama, T., Kilcrease, D.P., Montgomery, M.H., & Winget, D.E. 2016, PRA, 94,025501 Bethe, H.A. & Salpeter, E.E., 1957, Quantum Mechanics of One- and Two- Electron Atoms, New York Academic Press Woltz & Hooper 1984, PRA, 30, 468 O’Brien & Hooper 1974, JQSRT, 14,479 Junkel G.C., Gunderson, M.A., Hooper, C.F., Haynes, D.A 2000, PRE, 62,5584 Kepple, P.C. 1972, PRA, 6, 1 Fano, U. 1963 Physical Review, 131, 259 Smith, E.W., & Hooper ,C.F 1967, Physical Review, 157, 126 Smith, E.W., Cooper, J., & Vidal, C.R., 1969 Physical Review, 185, 140 Baranger, M. 1958 Physical Review, 112, 855 Kolb, A.C., & Griem, H. 1958, Physical Review, 111, 514 Glenzer, S., Uzelac, N.I., & Kunze, H.J. 1992, PRA, 45, 8795 Glenzer, S. & Kunze, H.J., 1996 PRA, 53, 2225

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Page 1: Spectral Line Shapes with Strong Collisions By Plasma ... fileAbstract: Spectral line broadening is important for modeling and understanding white dwarf atmospheres. Modeling the broadening

The electron broadening operator, φ, is defined by the relaxation theory (Fano1963)

where L1 is the Coulomb interaction and Δk2 is the change in energy of the plasma electron. This is a complicated form and is not easily solved. Therefore a Taylor expansion is used for practical evaluation of φ:

The third term of φ can be evaluated with the use of a projection operator (Fano1963; Smith & Hooper 1967, Smith et al. 1969), but has been ignored due to the dipole approximation and is ignored even when <L1> is not assumed to be zero (Junkel et al. 2000). The back reaction does not exist in the impact theories of Baranger (1958) or Kolb & Griem (1958)

For neutral hydrogen and ionized helium, the back-reaction term is fairly insignificant, but can contribute substantially to broadening of more highly-charged radiators and multi-electron systems, such as helium-like systems and carbon, sometimes resulting in factors of two increase.

Spectral Line Shapes with Strong Collisions By Plasma Electrons

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and

Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., for the U.S.

Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Interaction PotentialThe Interaction between radiators and perturbers is through the Coulomb

interaction, which is commonly approximated with a Taylor expansion with only the dipole term is retained (dipole approximation),

where rr is the coordinate of the radiator electron, rp is coordinate of plasma electron. At low densities, the dipole approximation is valid, though at high densities, this approximation breaks down and quadrupole terms become important (Kilcrease et al. 1993; Gomez et al. 2016) and at even higher densities, penetration becomes important (Woltz & Hooper 1984). When penetration occurs, then it is necessary to model the plasma electron with quantum motion and treat various effects, such as exchange.

Atomic Back Reaction

The total wavefunction of two identical particles needs to reflect the physical indistinguishability of the two particles (Bethe & Salpeter 1957),

and when of the size if the radiator is small, then this can be approximated by retaining only the first term and ignoring exchange (O’Brien & Hooper 1974; Woltz & Hooper 1984; Junkel et al. 2000). However, for hydrogen, exchange is necessary to achieve correspondence between quantum and semi-classical calculations (see figure 1).

Figure 1: Comparison of new quantum calculation with semi-classical calculation of Gomez et al. (2016); called Xenomorph. Neglect of exchange results in line shapes that are too wide; only when exchange and

the effects of distortion are included

However, for helium, ournew calculations—with thedetails of exchange–werenarrower than the semi-classicalresults of Kepple (1972); thoughthe Coulomb-wave withoutexchange calculation agreed well.This result is contrary to theneutral hydrogen case. Figure 2shows a comparison of Kepple’scalculation and our new detailedcalculation with experiment.

Figure 2. The experiment by Musielok et al. (1987) hadindependent density diagnostics, so no χ2 fitting is used. Kepple’ssemi-classical calculation and the Coulomb-wave calculation giveresults too wide for experiment. Only when we use the distorted-wave-with exchange can we match the data.

Future Work: We want to extend these calculations to more complicated atoms like He-like or Li-like ions. This requires much greater effort since we cannot accurately treat line broadening by only the valence electron (Glenzer et al. 1992;1996)

Thomas Gomez, Taisuke Nagayama, Dave Kicrease, Stephanie Hansen, Don Winget, Michael Montgomery

Abstract: Spectral line broadening is important for modeling and understanding white dwarf atmospheres. Modeling the broadening of spectral lines is complex and requiresapproximations to keep the problem tractable. The Coulomb interaction between charged particles is usually approximated with a long-range dipole interaction (dot product of dipolemoment with plasma electric field). This approximation is valid for low-density plasmas where the average distance between particles is greater than a few atomic radii. But for highdensities, close-range interactions become important giving rise to several non-dipole effects: plasma polarization, quantum-particle exchange, atomic reaction to the collision, and linemerging. We have so-far studied only hydrogen-like radiators due to the extra complexities with multi-electron radiators. The perturbing electrons are treated quantum mechanically,which can accurately account for energy exchange as well as charge exchange (which neglected by classical calculations). Including charge exchange reduces line widths nearly 50% forneutral hydrogen, but is less for more highly charged ions. Only when penetration and exchange are included do quantum-mechanical calculations agree with semi-classicalcalculations---which are known to be accurate---for neutral hydrogen. However, this correspondence does not happen for charged radiators. Plasma polarization, which is a measure ofthe average charge inside the radiator, is unimportant for neutral hydrogen, but is significant for charged radiators. Strong presence of plasma charge inside the radiator wavefunctioninduces a back reaction from the atom, which can significantly broaden spectral lines.

Figure 3 demonstratesthe effect of the atomic backreaction term. In this case westudied Li-like carbon, whichcan occur in hot white dwarfs.Even though this calculationignores some exchangecollision processes, we can geta sense for the importance ofthis term in the broadening. Inthis case of C IV, the widthsincrease substantially. Thiseffect becomes more dramaticwith increasing atomicnumber.

Figure 3. Estimates of the size of the atomic back-reactionterm, even with an approximate treatment of the atomicinteraction, the back reaction can substantially broaden lines ofmore complex atoms

References:Kilcrease, D.P., Mancini, R.C., & Hooper, C.F., 1993, PRE,

48,3901Gomez, T.A., Nagayama, T., Kilcrease, D.P., Montgomery,

M.H., & Winget, D.E. 2016, PRA, 94,025501Bethe, H.A. & Salpeter, E.E., 1957, Quantum Mechanics of

One- and Two- Electron Atoms, New York Academic Press

Woltz & Hooper 1984, PRA, 30, 468O’Brien & Hooper 1974, JQSRT, 14,479Junkel G.C., Gunderson, M.A., Hooper, C.F., Haynes, D.A

2000, PRE, 62,5584

Kepple, P.C. 1972, PRA, 6, 1Fano, U. 1963 Physical Review, 131, 259Smith, E.W., & Hooper ,C.F 1967, Physical Review, 157, 126Smith, E.W., Cooper, J., & Vidal, C.R., 1969 Physical Review, 185, 140Baranger, M. 1958 Physical Review, 112, 855Kolb, A.C., & Griem, H. 1958, Physical Review, 111, 514Glenzer, S., Uzelac, N.I., & Kunze, H.J. 1992, PRA, 45, 8795Glenzer, S. & Kunze, H.J., 1996 PRA, 53, 2225