ADAS408: Iso-nuclear master data - prepare from iso
Contents
1. home adas adas adf03 atompars atompars_mm ar dat Output files home mog pass acd89_ar pass home mog pass scd89_ar pass home mog pass ccd89_ar pass hnome mog pass prb89_ar fil_jet pass hnome mog pass plt89_ar fil_jet pass home mog pass pls89_ar pass nome mog pass prc89_ar fil_jet pass home mog pass prb89_ar pass home mog pass plt89_ar pass home mog pass prc89_ar pass IMPURITY INFORMATION ELEMENT SYMBOL ar NUCLEAR CHARGE 18 LOWEST ION CHARGE 0 HIGHEST ION CHARGE 17 ATOMIC MASS NUMBER 40 00 NEUTRAL DONOR INFORMATION ELEMENT SYMBOL H NUCLEAR CHARGE 1 ATOMIC MASS NUMBER 2 01 FILTER INFORMATION t7 March 20063 Filter from home adas adas adf35 jet_filter dat ELECTRON TEMPERATURE DENSITY INFORMATION TEMPERATURE EV NUMBER OF VALUES 48 MINIMUM VALUE 1 0000D 00 MAXIMUM VALUE 5 0000D 04 DENSITY CM 3 26 1 0000D 10 1 0000D 15 NOTE EQUAL INTERVALS IN THE LOGARITHM ARE SET Notes ADAS User manual Chap5 08 17 March 20032. Lower limit 1 00000 Lover limit i o0000e10 Novlear Charge 18 Impurity 39 800q Upper limit 0000 0 Upper limit 1 00000e 15 Neutral H 2 01000 No of temps 48 No of dens 26 Units _jeV K Edit the scan info Cancel Done ation data and press Done to proceed 1 At the top of the window an arbitrary title may be given for the case being processed 2 The name of the data file under analysis and any filter file being used are shown The button Browse Comments allows display of the information field section at the foot of the named atompars file if it exists 3 The lower sub windows allow the plasma electron temperature and electron density for production of the output adf standard master files to be specified Select on the required temperature units This choice determines to the units used in the adjacent temperature range selection window Specify lower temperature limit upper temperature limit and number of temperatures in the editable boxes ADAS408 then creates the temperature grid equally spaced in the logarithm Note that the output files in fact contain the temperatures in eV see the ADAS User Manual appxb 11 Similarly specify the electron density limits and number of grid points 4 Enter the mass number for the actual isotope of the element required For information the element chemical symbol is displayed Also the mass number of hydrogen isotope constituting the
3. shell occupancy factor phfrac The Burgess zero density general formula is used for dielectronic recombination including two parent transitions only NG H H a a ny Ya ny n2ngtl 2 6 z 271 kT Y 2 phfrac 2 phfrac 227 KT p2 EEI z I y KT 2 0 NG Sii KT n EEIZ I y kKT n cms n2njtl n where Z Z l N is the principal quantum number of the valence shell of the ion of the recombined ion phfrac is the statistical weight fraction of the valence shell unoccupied before recombination and EEi x e E x with E the first exponential integral The principal quantum shell sum is terminated at Ng 126 0 zi kT I Lp cm 1 N 5 8 3 The dielectronic recombination part is given by a 4 78 z z D z 13 4 2 AF _ 5 8 4 y IKT DENY FAQ en cms j where the sum is over at most two parent transitions with oscillator strengths and effective transition energies AE AE a with AE the transition energy and a 1 0 0 015 z 1 The factor A and finite density reduction D depend on whether the parent transition is of An 0 type D n 200 n ge 5 5 8 5 A y y 7 1 0 105y 0 015y7 or of An I excluding 1s initial parent states type D 0 0015 z Dn 1 0 0015 z n Se A y y K2 0 41y 0 06y with n 5 57 em N zf kT Ly Vand y AE 1 z 1 B The hydrogenic expression for radiative recombination to the lowest princi
4. true filter case which was restricted to beryllium silicon the filter name had the prefix ft followed by the first two ADAS User manual Chap5 08 17 March 2003 significant figures of the beryllium and silicon thicknesses The much greater flexibility of the full Henke filter implementation is not encompassed by the old convention Filter names are at your own choice although central ADAS will continue to have adf11 data following the old naming Note also that the output files can be placed in a directory of your choice rather than entering the pass directory 4 Click on the buttons for the output adf11 file classes you wish The filtered power classes are only sensitized if a filter file has been selected 5 The standard line printer text output file summarising the options selected for ADAS408 is available The Replace and Default File Name buttons are present for the text output file as usual 6 The Exit to Menu icon is present in ADAS408 Clicking the Done button causes the output options window to be displayed Remember that Cancel takes you back to the previous window Illustration There is no graphical display from this code Table 5 8a FOI IIR I I IK I Ik RUN SUMMARY FOR PROGRAM GENERATING STANDARD RR Eke xxxxxxxxxxxxxx ISONUCLEAR MASTER FILES FROM PARAMETRIC FORMS i ko Kok i wx KKEKKKKKKKKKKKKKKKKKKKKKKKK KKK ADAS408 DATE 19 08 03 KKK K KK KKK KKKKKKKKKKKKKKKKKKKKEK INPUT PARAMETER FILE
5. ADAS408 Iso nuclear master data prepare from iso nuclear parameter sets The program uses parametric forms for zero density recombination ionisation and radiated power loss coefficients to prepare standard unresolved stage to stage iso nuclear master files for a particular element The iso nuclear master files may be prepared over arbitrary ranges of electron temperature and electron density Background theory The practice in the past in fusion research has been to adopt a substantially simpler and more approximate approach to acquiring the atomic data for plasma models than that which forms the basis of the Atomic Data and Analysis Structure This is the parametric approximate form approach It assumes that 1 Simple parametric forms for atomic processes which apply to any ion of any element are available 2 The low density coronal limit may be assumed in all circumstances 3 Each ionisation stage of an element may be represented by its ground state alone 4 Each ion may be assumed to experience two effective electron collisional excitations which can be used to represent adequately radiant power losses and dielectronic recombination These assumptions and approximations can not be sustained in modern fusion device studies However the earlier procedures do have the merit of providing atomic data for modelling codes for virtually any element desired unlike the selective nature of more refined data as long as too searching questions ar
6. and density ranges lt output master files lt format ADF11 Interactive parameter comments The program uses parametric forms for zero density recombination ionisation and radiated power loss coefficients type adf03 to prepare standard unresolved stage to stage iso nuclear master files for a particular element of type adf11 The iso nuclear master files may be prepared over arbitrary ranges of electron temperature and electron density The file selection window is shown below ADAS User manual Chap5 08 17 March 2003 ADAS 408 INPUT Atomic parameters File Details Data Root packages adas adass adiG3s Central Data User Data _ Edit Path Name jatompars atompars_mmitar dat Data File atompars_lhi c dat atompars_mmitar dat atompars_mmitc dat atompars_mmitcl dat Filter File Details Data Root vhomeswhitefers adass adi 35s Central Data User Data _ Edit Path Name Data File nter parameter and optional filter file details Browse Comments Cancel Done 1 Data root shows the full pathway to the appropriate data sub directories Click the Central Data button to insert the default central ADAS pathway to the correct data type The appropriate ADAS data format for input to this program is adf03 atompars files Click the User Data button to insert the pathway to your own data Note that your data must be held in a similar file structure t
7. combination is assumed to release energy equal to ground state ionisation energy of the recombined ion Dielectronic recombination energy loss is summed over the two parent transitions and each is assumed to release an energy equal to the parent transition energy together with the ionisation energy of the ground state of the recombined ion Bremsstrahlung is taken to be hydrogenic with free free Gaunt factor set to unity 2 PERA 1 6 ae y Tla OAE x j l 5 8 19 5 68 z kT 1 Wem PRC The coefficient is a zero density coefficient based on the total charge exchange recombination coefficient A A recombination is assumed to release an amount of energy equal to the ionisation energy of the ground state of the recombined ion Pee T 1 607 4 ee T Wem 5 8 20 B There is no separate expression BE OT Y 160 FAS Ly Wem 5 8 21 PLT The coefficient is a zero density coefficient obtained by assuming a coronal picture and represented by effective collisional excitations from the ground state of the ion A A g dipole approximation is assumed specified by an oscillator strength and a constant effective Gaunt factor 2 Peja ALAB gT 5 8 22 j l where AE gy 2 18 AE 1 4 28 1 kT 5 8 23 Ip 1AE fg e Wem B Similar expressions are used but with the g replaced with the P AE kT of Van Regemorter The expressions are based on two effective transitions with mean transition energies and oscillator strengt
8. e not asked For this reason such data is still widely used It is necessary that such data can still be generated for comparative purposes and low quality data fill in The Atomic Data and Analysis Structure is based on absolute numerical data and interpolation rather than parametric databases since thereby no data constraint or precision limit is intrinsic to the structure and best available data of whatever type may be used The ADAS408 code creates data sets of standard iso nuclear master file organisation from the old parametric forms The access subroutines to the iso nuclear master files provided with ADAS allow a seamless switch to the Atomic Data and Analysis Structure with older calculations and assumptions still reproducible The following classes of data of standard type are generated the collisional dielectronic recombination coefficient ACD the collisional dielectronic ionisation coefficient SCD the collisional radiative charge exchange recombination coefficient CCD the collisional dielectronic recombination cascade bremsstrahlung radiated power coefficient PRB the collisional radiative charge exchange recombination cascade power coefficient PRC the collisional radiative excitation total line power coefficient PLT and the collisional radiative excitation specific line power coefficient PLS However the data does not constitute true collisional radiative coefficients For the various classes the most prevalent assu
9. hs Multipliers c j are chosen to optimise the fit to best available data at one temperature 2 z E a mle PO L GAE T 5 8 24 j l where AE jq 2 18 8 AE I 4 28 1 kT anes Ip AE f POE kT Wem PLS The coefficient is a zero density coefficient for the power in a resonance line excited from the ground state of the ion ADAS User manual Chap5 08 17 March 2003 A A g dipole approximation is assumed specified by an oscillator strength and a constant effective Gaunt factor PE T AE q T 5 8 26 where AE q 2 18 AE 1 4 28 I kT L AE fge 2 Wem 5 8 27 B A similar expression is used but with the g replaced with the P AE kT of Van Regemorter The expression is based on an effective dipole excitation with the transition energy and oscillator strength specified A multiplier C is chosen to optimise the fit to best available data at one temperature z e Pis LZ c AE q T 5 8 28 where e _ 18 6 1 2 AE gq 2 18 AE I 4 28 L kL Teche i 5 8 29 I AE f P AEIkT e gt Wem Program steps These are summarised in figure 5 8 Figure 5 8 select input input isotope begin parameter file gt masses for gt select filter for impurity impurity and hyd characteristics rogen CX donor Vv set background assign output summary lt lt job parameters lt temperature table end A and initiate y
10. mptions forced by the parametric forms are summarised below Mnemonic Class simplification Forms zero density radiative representative dielectronic parent transitions with a finite density cut off zero density ground state ionis coefft total zero density coefft zero density recom brems two dielectronic transition contributions with simplified energy loss per recombination zero density with simplified energy loss per recombination effective excitations in coronal approximation single resonance line in coronal approximation The parametric approximate forms for the above coefficient classes used historically are called here the A forms From the considerations of section 2 of this manual ADAS User manual Chap5 08 17 March 2003 and provided more accurate numerical data is available some improvement both of the parametric forms and of the actual values of parameters used may be made The improved parametric forms called here the B forms are those which provide the basis for comparative assessment of new data is the ADAS series 1 codes Both A and B parametric forms are allowed by the ADA407 code They are as follow ACD the coefficient is composed of a sum of radiative and dielectronic recombination parts a TN 4 T N 0 T N 5 8 1 A Hydrogenic formulae are used for radiative recombination with Gaunt factors unity The ground principal quantum shell is adjusted with an effective principal number V and lowest
11. o central ADAS but with your identifier replacing the first adas to use this facility The Data root can be edited directly Click the Edit Path Name button first to permit editing 2 Available sub directories are shown in the large file display window Click on a name to select it The selected name appears in the smaller selection window above the file display window Then its sub directories in turn are ADAS User manual Chap5 08 17 March 2003 displayed in the file display window Ultimately the individual data files are presented for selection Data files all have the termination dat 3 A second file may be selected which specifies a spectral filtration to be applied to the radiated power Filter files are archived in format adf35 and can be prepared and interrogated using the codes ADAS414 and ADAS415 respectively 4 Once the data file is selected the set of buttons at the bottom of the main window become active Clicking on the Browse Comments button displays any information stored with the selected data set Clicking the Done button moves you forward to the next window Clicking the Cancel button takes you back to the previous window The processing options window has the appearance shown below ADAS408 PROCESSING OPTIONS Title for Run Example Run adf03 file f home adas adas adf03 atompars atompars_mmitar dat Browse Comments No filter file Temperature limits Density limits Mass data
12. on auto ionisation Sr eS ea 5 8 12 I iel where SPP BINS CCl IKT me E X kT w cms with w In 1 0 k7 pyro B 0 25 100z 91 4z 3 5 5 8 14 and SER T ck 1 45 WT Ly AE Uy Tag 5 8 15 excit R reR CCD Only charge transfer from neutral hydrogen in its ground state is included The total charge exchange cross section is used at a mean hydrogen collision speed to obtain the rate coefficient A A constant cross section for total charge transfer is used except for the ions of carbon nitrogen and oxygen aG T 3 07 KT T my 1m za ems 5 8 16 B There is no separate expression aK T 3 07 RT 1 m M z em s 5 8 17 PRB The power coefficient is a zero density coefficient obtained as a sum of radiative recombination dielectronic recombination and bremsstrahlung parts A A radiative recombination is assumed to release energy equal to ground state ionisation energy of the recombined ion Dielectronic recombination energy loss ADAS User manual Chap5 08 17 March 2003 is summed over the two parent transitions and each is assumed to release an energy equal to the parent transition energy together with the ionisation energy of the ground state of the recombined ion Bremsstrahlung is taken to be hydrogenic with free free Gaunt factor set to unity 2 Pee 1 6 fan at oe AE 7 j l 5 8 18 5 68 zi kT I4 Wem B A radiative re
13. pal quantum shell uses the effective principal quantum number V for the shell and is improved by factors scale and edisp obtained from improved sources The density dependent n shell cut off is not applied The dielectronic coefficient is based on the Burgess zero density general formula as for the An Q case above adjusted ADAS User manual Chap5 08 17 March 2003 to fit improved data with factors scale edisp scale edisp An extended set of parent transitions but combined into at most two groups a scale z 1y KT W a v Ya n 5 8 7 n2ngt1 GF a scale exp edisp akT D T N 2 a g gt i i egrp 5 8 8 scale exp edisp akT D T N a gt L in E8rP gt SCD The coefficient is a zero density coefficient from the ground state of the ion obtained as a sum over contributing shells It may include direct ionisation shd or excitation auto ionisation excit Serr OCr S T SPOOL 5 8 9 A The expressions of Lotz are used for direct ionisation Only two shells are allowed and there is no excitation auto ionisation part sway S eT 5 8 10 i 1 2 where Sir 1 42 Iy kT a CLE 1 kT 1 KT be E x1 kT 0 xI kT 0 cms The a b c are constants given for each shell 4 is the number of equivalent electrons in the shell and 7 is the ionisation energy of the shell 5 8 11 B The expressions of Burgess amp Chidichimo are used together with a contribution from excitati
14. primary plasma species is required ADAS User manual Chap5 08 17 March 2003 5 The Exit to Menu icon is present in ADAS408 Clicking the Done button causes the output options window to be displayed Remember that Cancel takes you back to the previous window The output options window is of restricted form It only offers the option of an output files There is no output graph ADAS 408 OUTPUT r lt class gt lt year gt lt element gt lt filter gt lt ext gt Element ar Extension pass Directory fhome whitefor adas pasq Write adf1l class files Filter WSCD WPLT Pi filtered WACD W PRB PHS filtered CD WPRC JERE filtered Text Output Default File Name paper txt Choose output options 1 The adfi iso nuclear master file output comprises several The template shows the file naming structure 2 Collections of adfl1 files are held by year number and element Enter a two digit year number for the output Note that any two digits are acceptable and fictitious years can be used for special collections if so desired The element name is inserted automatically from the atompars input file 3 The filter name field of the template is only sensitised if a filter file has been selected on input The convention in the past was that in the simple cut off case the filter name had the prefix ev followed by the numerical value of the cut off energy in eV In the
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