what every astronomer should know about atmosphere modeling … · 2013-10-24 · what every...
TRANSCRIPT
![Page 1: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/1.jpg)
What every astronomer should know aboutatmosphere modeling and about PHOENIX in
particular
Andreas Schweitzer
Oct. 15, 2013
![Page 2: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/2.jpg)
What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 3: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/3.jpg)
What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 4: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/4.jpg)
Atmosphere vs. Spectrum
Atmosphere:
• T ,P, ρ, v , . . .
• Navier Stokes equations
• heavily simplified:hydrostatic stratification
• incl. energy conservation
Spectrum:
• Radiation throughatmosphere
• but energy transport?!
1D hydrostatic: e.g. ATLAS3D hydrodynamic: e.g. FLASH
1D: e.g. SYNTHE3D: e.g. Asplund et al.
![Page 5: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/5.jpg)
Atmosphere vs. Spectrum
Atmosphere:
• T ,P, ρ, v , . . .
• Navier Stokes equations
• heavily simplified:hydrostatic stratification
• incl. energy conservation
Spectrum:
• Radiation throughatmosphere
• but energy transport?!
1D hydrostatic: e.g. ATLAS3D hydrodynamic: e.g. FLASH
1D: e.g. SYNTHE3D: e.g. Asplund et al.
![Page 6: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/6.jpg)
Atmosphere vs. Spectrum
Atmosphere:
• T ,P, ρ, v , . . .
• Navier Stokes equations
• heavily simplified:hydrostatic stratification
• incl. energy conservation
Spectrum:
• Radiation throughatmosphere
• but energy transport?!
1D hydrostatic: e.g. ATLAS3D hydrodynamic: e.g. FLASH
1D: e.g. SYNTHE3D: e.g. Asplund et al.
![Page 7: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/7.jpg)
Atmosphere vs. Spectrum
Atmosphere:
• T ,P, ρ, v , . . .
• Navier Stokes equations
• heavily simplified:hydrostatic stratification
• incl. energy conservation
Spectrum:
• Radiation throughatmosphere
• but energy transport?!
1D hydrostatic: e.g. ATLAS3D hydrodynamic: e.g. FLASH
1D: e.g. SYNTHE3D: e.g. Asplund et al.
![Page 8: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/8.jpg)
Atmosphere vs. Spectrum
Atmosphere:
• T ,P, ρ, v , . . .
• Navier Stokes equations
• heavily simplified:hydrostatic stratification
• incl. energy conservation
Spectrum:
• Radiation throughatmosphere
• but energy transport?!
1D hydrostatic: e.g. ATLAS3D hydrodynamic: e.g. FLASH
1D: e.g. SYNTHE3D: e.g. Asplund et al.
![Page 9: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/9.jpg)
What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 10: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/10.jpg)
The Radiative Transfer Equation
The radiative transfer equation (RTE) in its general form:
1
c
∂Iν∂t
+ ~n · ∇Iν = εν − χν Iν
= χν(Sν − Iν)
where
• εν : emission coefficient (account for the net rate of change ofphotons)
• χν : extinction coefficient (account for the net rate of changeof photons)
• Sν = ενχν
: source function, in (L)TE = Bν
• in general ε = ε(I ) → Scattering problem
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RTE in different Geometries
Plane parallel:
µdIνdz
= χν(Sν − Iν)
With dτν = −χν dz , the pp RTE becomes
µdIνdτν
= Iν − Sν
Spherical symmetric:
µ∂I
∂r+
1− µ2
r
∂I
∂µ= −χ (I − S)
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Radiation Flux Fν
• net flux of radiation through a surface element dσ:
~Fν =
∮4π
Iν~n dΩ
• in 1D the vector ~Fν reduces to
Fν =
∫µIν dµdϕ
so that (Iν independent of ϕ!)
Fν = 2π
∫µIν dµ
• old literature: ’astrophysical flux’
πF = Fν
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RT for Synthetic Spectra
radiative transfer equation ∀λ• absorption & scattering coefficients∑
σji nji
• j : ionization stage• i : energy level within each ionization stage• σj
i : cross section [cm2] incl. line profile
• nji : population density [1/cm3]
•∑
over all elements, processes, ionization stages, level
• σji from QM, measurements
• tables of data, fit formulae etc.
→ local quantities — depend all on T , Pgas, chemical abundances,radiation field→ how is scattering treated?
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RT for Synthetic Spectra
radiative transfer equation ∀λ• absorption & scattering coefficients∑
σji nji
• j : ionization stage• i : energy level within each ionization stage• σj
i : cross section [cm2] incl. line profile
• nji : population density [1/cm3]
•∑
over all elements, processes, ionization stages, level
• σji from QM, measurements
• tables of data, fit formulae etc.
→ local quantities — depend all on T , Pgas, chemical abundances,radiation field
→ how is scattering treated?
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RT for Synthetic Spectra
radiative transfer equation ∀λ• absorption & scattering coefficients∑
σji nji
• j : ionization stage• i : energy level within each ionization stage• σj
i : cross section [cm2] incl. line profile
• nji : population density [1/cm3]
•∑
over all elements, processes, ionization stages, level
• σji from QM, measurements
• tables of data, fit formulae etc.
→ local quantities — depend all on T , Pgas, chemical abundances,radiation field→ how is scattering treated?
![Page 16: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/16.jpg)
RT for Model Atmospheres
Three possibilities:
• Actually do all the calculations and the RTE line by line(PHOENIX)
• Use appropriate approximations for the frequency sampling(typical atmosphere codes)
• Opacity Distribution Functions• Opacity Sampling
• Use optically thick or grey approximations
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Equation of state
• nji depend on• temperature• gas pressure• abundances• radiation field
→ in general: NLTErate equation for all population and de-population processes
• gives relation (T ,Pgas, ρ)
• gives all nji
How is NLTE implemented? (in 3D?)
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Equation of state
• nji depend on• temperature• gas pressure• abundances• radiation field
→ in general: NLTErate equation for all population and de-population processes
• gives relation (T ,Pgas, ρ)
• gives all nji
How is NLTE implemented? (in 3D?)
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The Saha Equation
With
• nk : number density of ionization stage k (summed over allenergy levels)
• ne: electron density
• Qk : partition function of state k
• χk→k+1: ionization energy (ground state to ground state)
nk = nk+1neQk
Qk+12
(h2
2πmekT
)3/2
exp(χk→k+1
kT
)
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The Saha Equation
The system is closed by
• particle conservation:
ni = εi (Pgas/kT − ne)
εi : normalized abundance (by number) of this element
• charge conservation:
ne =∑i
∑j
qijnij
Ultimatively: root of high order polynomial in ne for (T ,Pgas)With all nij
ρ = (neme +∑i
nijmij)
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Boltzmann Formula
With
• ni : population density (particles /cm3)
• N =∑
ni
• gi : statistical weights (number of degenerate quantum states)
• χi : excitation energy (χ1 ≡ 0)
• Q =∑
gi exp(− χi
kT
): partition function
ni
N=
giQ
exp(− χi
kT
)
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Convection (in 1D)
• no real theory of convective energy transport!
• comparatively simplistic model for convection
• especially bad in optically thin media!
Basic picture:
• convection = buoyant bubbles
• bubbles are allowed to form in any environment
• if buoyancy increases → convection occurs
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Mixing Length Theory
Assumptions:
• bubbles rise an average distance lm = αmhp
• hp is the pressure scale height hp := −P drdP = P
ρg
• estimate convective flux
Fconv = ρcpv∆T
• . . . and all necessary quantities• T (and ρ) difference (∆T ) to surroundings increases linearly• work of buoyancy goes into kinetic energy (v)• energy loss due to radiation (e.g. diffusion approximation)
• system of equations
→ cubic equation for dTdτ
![Page 24: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/24.jpg)
What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 25: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/25.jpg)
Computation of 1D Model Atmospheres
• minimum independent variables/parameters:• effective temperature Teff
• gravity g = GM/R2 (or g(r) = GM/r2 if not constant)• mass M or radius R or luminosity L = 4πR2σT 4
eff• abundances of all elements
• additional parameters may exist (B-fields, irradiation etc)
• necessary prelims:• discretize the radial coordinate
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Computation of 1D Model Atmospheres
step 1:
• select a grid of τstd points
• guess (approximate or scale) a temperature structure T (τstd)
• integrate hydrostatic equationdPgas
dτstd=
gρ
χstd
(ignoring Prad and setting g = const. for simplicity)
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Computation of 1D Model Atmospheres
• need initial value for Pgas(τstd = 0)!
• need ρ(T ,Pgas)→ equation of state, e.g.,
ρ =µ
RPgas
T
• R = k/mH
• µ: mean molecular weight
• ρ and µ from Saha-Boltzmann
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Computation of 1D Model Atmospheres
step 2a:
• compute convective dTdτ via MLT
step 2b:
• compute total radiative flux
Frad(τstd) =
∫ ∞
0Fλ(λ, τstd) dλ
for each layer!
• → need to know Fλ(λ) . . .
• → need to solve radiative transfer problem ∀λ• → must know all σji (T ,Pgas, λ)
• and must know all nji (τstd)
• alternatively invoke ODF or opacity sampling formalism
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Computation of 1D Model Atmospheres
step 3:
• in general we will find that
Frad(τstd) 6= σT 4eff
for radiative layers
• → need to correct T (τstd)
repeat until converged . . .
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What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 31: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/31.jpg)
Computation of 3D Model Atmospheres
Solve (time dependent!)
• Continuity equation
∂ρ
∂t= −∇ · (ρ~v)
• Navier Stokes equation. E.g. (without viscosity)
∂~v
∂t+ (~v · ∇)~v = −1
ρ∇P + ~g
• energy equattion
→ radiative energy transport?
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Computation of 3D Model Atmospheres
Solve (time dependent!)
• Continuity equation
∂ρ
∂t= −∇ · (ρ~v)
• Navier Stokes equation. E.g. (without viscosity)
∂~v
∂t+ (~v · ∇)~v = −1
ρ∇P + ~g
• energy equattion
→ radiative energy transport?
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What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 34: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/34.jpg)
Important Physics
PHOENIX v16 is being used to model
• nova and supernova atmospheres
• main sequence stars, very low mass stars, brown dwarfs &Exoplanet atmospheres
• (red) giants, white dwarfs
• disks (proto-planetary, AGN)
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Important Physics
integrated /1D and /3D versions (e.g. same micro physics)
• detailed and stable EOS for huge range of temperatures
• NLTE model atoms with huge number of levels
• dust formation/destruction DRIFT (Helling & Woitke)
• direct opacity sampling of line blanketing• atomic line blanketing: ≈ 5− 30× 106 lines dynamically
selected from a list of 83× 106 lines• molecular line blanketing: ≈ 15− 900× 106 lines dynamically
selected from a list of 2.3× 109 lines• depth dependent line profiles
⇒ no ODF or opacity sampling tables (NLTE!).
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Important Physics
• radiation transport solved for large optical depths & strongscattering
• static (stars) or allow velocity fields (novae, winds, SNe,turbulence)
• allow irradiation
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What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 38: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/38.jpg)
Example applicationsmodels work well for G2V’s
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Example applicationsmodels work well for dM’s and dL’s
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Example applicationsmodels work well for dM’s and dL’s
![Page 41: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/41.jpg)
Example applications
3D visualization: GCM Model
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What is a stellar atmosphere?Atmosphere vs. SpectrumGeneral physics
The Radiative Transfer EquationEquation of StateConvection in 1D
Computation of 1D Model AtmospheresComputation of 3D Model Atmospheres
What is PHOENIX?Important PhysicsExample applicationsAlmost a tutorial
PHOENIX/3DPHOENIX/1D
Summary
![Page 43: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/43.jpg)
PHOENIX/3D
Current ”limitations”:
• no internal hydrodynamics (yet)
• ”one shot” radiation, no energy feedback
• atmosphere provided externally (FLASH, PlaSim, . . . )
Advantages:
• detailed radiation transport (scattering, large τ)
• detailed microphysics (EOS, opacities, NLTE)
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PHOENIX/3D
Current ”limitations”:
• no internal hydrodynamics (yet)
• ”one shot” radiation, no energy feedback
• atmosphere provided externally (FLASH, PlaSim, . . . )
Advantages:
• detailed radiation transport (scattering, large τ)
• detailed microphysics (EOS, opacities, NLTE)
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PHOENIX/1D
Calculation of atmosphere and spectrum
• same code
• same implementation of physics
Atmosphere:
• hydrostatic stratification (or analytical expansions)
• energy transport by radiation transport for ”low” resolutionspectrum
• energy conservation by temperature correction (iteration)
Spectrum:
• different resolution and wavelength range
⇒ Consistent atmosphere and spectrum
![Page 46: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/46.jpg)
PHOENIX/1D
Calculation of atmosphere and spectrum
• same code
• same implementation of physics
Atmosphere:
• hydrostatic stratification (or analytical expansions)
• energy transport by radiation transport for ”low” resolutionspectrum
• energy conservation by temperature correction (iteration)
Spectrum:
• different resolution and wavelength range
⇒ Consistent atmosphere and spectrum
![Page 47: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/47.jpg)
PHOENIX/1D
Calculation of atmosphere and spectrum
• same code
• same implementation of physics
Atmosphere:
• hydrostatic stratification (or analytical expansions)
• energy transport by radiation transport for ”low” resolutionspectrum
• energy conservation by temperature correction (iteration)
Spectrum:
• different resolution and wavelength range
⇒ Consistent atmosphere and spectrum
![Page 48: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/48.jpg)
Spherical symmetric vs. plane parallel and the role of theRadius
g =GM
R2L = 4πR2σTeff
4
3rd parameter:
µ∂I
∂r+
1− µ2
r
∂I
∂µ= −χ (I − S)
⇒ for plane parallel objects: R (or M or L) is a scaling factor
![Page 49: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/49.jpg)
Spherical symmetric vs. plane parallel and the role of theRadius
g =GM
R2L = 4πR2σTeff
4
3rd parameter:
µ∂I
∂r+
1− µ2
r
∂I
∂µ= −χ (I − S)
⇒ for plane parallel objects: R (or M or L) is a scaling factor
![Page 50: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/50.jpg)
Spherical symmetric vs. plane parallel and the role of theRadius
g =GM
R2L = 4πR2σTeff
4
3rd parameter:
µ∂I
∂r+
1− µ2
r
∂I
∂µ= −χ (I − S)
⇒ for plane parallel objects: R (or M or L) is a scaling factor
![Page 51: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/51.jpg)
Spherical symmetric vs. plane parallel and the role of theRadius
g =GM
R2L = 4πR2σTeff
4
3rd parameter:
µ∂I
∂r+
1− µ2
r
∂I
∂µ= −χ (I − S)
⇒ for plane parallel objects: R (or M or L) is a scaling factor
![Page 52: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/52.jpg)
Abundance determinations with PHOENIX
Abundances can be changed individually
But recall:
• designed for consistent atmosphere
• full equation of state
• full opacity
⇒ no quick line profiles
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Abundance determinations with PHOENIX
Abundances can be changed individually
But recall:
• designed for consistent atmosphere
• full equation of state
• full opacity
⇒ no quick line profiles
![Page 54: What every astronomer should know about atmosphere modeling … · 2013-10-24 · What every astronomer should know about atmosphere modeling and about PHOENIX in particular Andreas](https://reader034.vdocuments.mx/reader034/viewer/2022050119/5f4f53d62afa395c63034839/html5/thumbnails/54.jpg)
1.5D with PHOENIX/1D
e.g. inhomogenous surfaces:
• specific intensity for each surface area element
• integrate obserable flux yourself
But: non standard output
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Irradiation with PHOENIX/1D
• slab for one angle between direction to object center andillumination source
• redistribute energy
• 1.5D
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Summary
• 1D: modelling atmosphere and spectrum consistently ispossible (and PHOENIX does it)
• 3D: Atmosphere structure and spectrum from it require twocalculations (for all codes)