ADAS302: Ion/atom data - graph and fit cross
Contents
1. 5 000E 02 5 000E 02 1 5 000E 02 5 000E 92 2 7 000E 02 7 000E 02 2 7 000 02 000E E 02 3 1 000E 03 1 000E 03 3 1 000E 03 1 000E 03 4 1 500E 03 1 500E 03 4 1 500E 03 1 500E 03 5 2 000E 03 2 000E 03 5 2 000E 03 2 000E 03 LI EJ Energy Units eV amu Temperature Units ES Edit Table Edit Ta 7 Default Energy Values Default Temp Cancel Done 6 The program recovers the output energies you used when last executing the program Pressing the Default Energy Values button inserts a default set of energies equal to the input energies Note that you can work in a choice of energy units namely eV amu atomic velocity units or cm s 7 The Energy Values are editable Click on the Edit Table button if you wish to change the values 8 To obtain an output tia file of Maxwell averaged ion atom rate coefficients click the button Your settings of temperature output are ADAS User manual Chap4 02 17 March 2003 shown in the temperature display window The energy values at which the cross sections are stored in the data file input are also shown for information 9 The program recovers the output temperatures you used when last executing the program Pressing the Default Temperatures Values button inserts a default set of temperatures equal to the input energies 10 The Temperature Values are editable Click on the Edit Table button if you wish to change the values Note that y2. 4 940D 060D 70D 220D 980D 470D 110D 220D 280D 240D 20D 220D 490D 540D 295D 520D 033D 160D 310D 590D 450D ous Hi OAI RD DDD OO Rn na NA O DoOao LOG10 I A CROSS SECTION lt CM 2 gt VERSUS LOG10 COLLISION ENERGY lt EV AMU gt Ab 2 4 829795812D 01 A 2 1 589934860D 02 A 3 1 357885055D 02 A 4 5 653381063D 01 At Sys 1 256244113D 01 A 6 1 432957783D 00 BET 6 584858615D 02 LOGFIT DEGREE 6 ACCURACY 4 95 END GRADIENT LOWER 2 87 UPPER 3 37 Table 4 2b 2 H 0 HE 2 21 21 AMP 2 0 AMS 4 0 TYP CX ISEL 2 5 00D 02 7 00D 02 1 00D 03 1 50D 03 2 00D 03 3 00D 03 5 00D 03 7 00D 03 1 00D 04 1 50D 04 2 00D 04 3 00D 04 4 00D 04 5 00D 04 6 00D 04 7 00D 04 8 00D 04 1 00D 05 1 50D 05 2 00D 05 3 00D 05 EQUAL 5 00D 02 7 00D 02 1 00D 03 1 50D 03 2 00D 03 3 00D 03 5 00D 03 7 00D 03 1 00D 04 1 50D 04 2 00D 04 3 00D 04 4 00D 04 5 00D 04 6 00D 04 7 00D 04 8 00D 04 1 00D 05 1 50D 05 2 00D 05 3 00D 05 4 94D 09 4 94D 09 7 67D 09 1 24D 08 2 10D 08 2 98D 08 4 66D 08 7 56D 08 9 81D 08 1 23D 07 1 47D 07 1 58D 07 1 61D 07 1 53D 07 1 43D 07 1 32D 07 21D 07 1 10D 07 9 14D 08 6 32D 08 5 13D 08 4 09D 08 9 17D 09 6 25D 09 9 17D 09 1 40D 08 2 27D 08 3 15D 08 4 82D 08 7 68D 08 9 91D 08 1 24D 07 1 47D 07 1 58D 07 1 61D 07 1 53D 07 1 42D 07 1 32D 07 21D 07 1 10D 07 9 14D 08 6 32D 08 5 13D 08 4 08D 0
3. j O LI Wei 8 1o 17 X E z 3 1o 3 L IIIIII LEET L IIIIII Lu 107 10 104 10 10 COLLISION ENERGY eV amu Table 4 2a ADAS RELEASE ADAS98 V2 5 6 PROGRAM ADAS302 V1 3 DATE 24 11 02 TIME 10 22 xx TABULAR OUTPUT FROM ADAS User manual graph ION ATOM COLLISION CROSS SECTIONS AS A FUNCTION OF COLLISION ENERGY packages adas adas ad 02 sia th sia h_j99 h dat BLK 2 lt H 0 gt lt HE 2 gt lt CX gt REACTION INFORMATION TRANSITION TYPE CX TON ATOM CROSS SECTION INTERROGATION PROGRAM ADAS302 DATE EE 02 SARE RES ADAS User manual Chap4 02 17 March 2003 IDENTIFICATION H 0 SECONDARY PRIMABENTIFICATION HE 2 COLLISION ENERGIES VELOCITIES AT UNITS CM S 1 EV AMU 1 420D 0 3 106D 07 5 000D 02 1 680D 0 3 675D 07 7 000D 02 2 008D 0 4 393D 07 1 000D 03 2 459D 0 5 380D 07 1 500D 03 2 840D 0 6 212D 07 2 000D 03 3 478D 0 7 609D 07 3 000D 03 4 490D 0 9 823D 07 5 000D 03 5 313D 0 1 162D 08 7 000D 03 6 350D 0 1 389D 08 1 000D 04 7 777D 0 1 701D 08 1 500D 04 8 980D 0 1 965D 08 2 000D 04 1 100D 00 2 406D 08 3 000D 04 1 270D 00 2 778D 08 4 000D 04 1 420D 00 3 106D 08 5 000D 04 1 555D 00 3 403D 08 6 000D 04 1 680D 00 3 675D 08 7 000D 04 1 796D 00 3 929D 08 8 000D 04 2 008D 00 4 393D 08 1 000D 05 2 459D 00 5 380D 08 1 500D 05 2 840D 00 6 212D 08 2 000D 05 3 478D 00 7 609D 08 3 000D 05 COLLISION CROSS SECTION CM 2
4. 08 4 93D 08 3 71D 08 62D 07 1 05D 07 07D 07 1 10D 07 14D 07 1 18D 07 25D 07 1 36D 07 45D 07 1 54D 07 62D 07 1 63D 07 57D 07 1 47D 07 35D 07 1 24D 07 14D 07 1 05D 07 8 92D 08 6 27D 08 4 86D 08 3 57D 08 62D 07 1 25D 07 26D 07 1 28D 07 31D 07 1 33D 07 38D 07 1 47D 07 53D 07 1 59D 07 63D 07 1 62D 07 55D 07 1 44D 07 33D 07 1 22D 07 12D 07 1 03D 07 8 80D 08 6 23D 08 4 80D 08 3 45D 08 50D 07 1 48D 07 49D 07 1 50D 07 51D 07 1 52D 07 55D 07 1 59D 07 61D 07 1 63D 07 63D 07 1 60D 07 EIDEL LL 3 9D 07 27D 07 1 17D 07 08D 07 9 95D 08 8 54D 08 6 11D 08 4 69D 08 3 28D 08 33D 07 1 59D 07 59D 07 1 59D 07 60D 07 1 61D 07 62D 07 1 63D 07 63D 07 1 62D 07 60D 07 1 55D 07 44D 07 1 33D 07 22D 07 1 13D 07 04D 07 9 59D 08 8 26D 08 5 97D 08 4 59D 08 3 16D 08 17D 07 1 62D 07 62D 07 1 62D 07 62D 07 1 63D 07 63D 07 1 62D 07 61D 07 1 59D 07 55D 07 1 50D 07 39D 07 1 28D 07 17D 07 1 08D 07 9 98D 08 9 24D 08 7 99D 08 5 83D 08 4 50D 08 3 07D 08 04D 07 1 61D 07 61D 07 1 61D 07 61D 07 1 61D 07 60D 07 1 59D 07 58D 07 55D 07 50D 07 1 44D 07 33D 07 1 22D 07 13D 07 1 04D 07 9 61D 08 8 91D 08 7 73D 08 5 68D 08 4 40D 08 3 00D 08 9 26D 08 1 58D 07 58D 07 1 57D 07 57D 07 1 57D 07 56D 07 1 55D 07 53D 07 1 50D 07 44D 07 1 39D 07 28D 07 1 17D 07 08D 07 9 99D 08 9 26D 08 8 60D 08 7 48D 08 5 53D 08 4 31D 08 2 93D 08 8 30D 08 1 53D 07 53D 07 1 53D 07 5 D 07 1 52D 07 51D 07 1 49D 07 47D 07 1 44D 07 39D 07 1 33D 07 22D 07 1 1
5. 3D 07 04D 07 9 62D 08 8 92D 08 8 30D 08 7 24D 08 5 39D 08 4 22D 08 2 88D 08 6 79D 08 1 42D 07 42D 07 1 42D 07 41D 07 1 41D 07 40D 07 1 38D 07 36D 07 1 33D 07 27D 07 1 22D 07 13D 07 1 04D 07 9 62D 08 8 92D 08 8 30D 08 7 74D 08 6 79D 08 5 11D 08 4 03D 08 2 77D 08 4 51D 08 1 15D 07 15D 07 1 15D 07 14D 07 1 14D 07 13D 07 1 11D 07 10D 07 1 07D 07 04D 07 9 97D 08 9 25D 08 8 60D 08 8 01D 08 7 48D 08 7 01D 08 6 58D 08 5 85D 08 4 51D 08 3 62D 08 2 54D 08 3 27D 08 9 14D 08 9 14D 08 9 14D 08 9 13D 08 9 12D 08 9 09D 08 9 03D 08 8 94D 08 8 80D 08 8 54D 08 8 26D 08 7 73D 08 7 24D 08 6 79D 08 6 39D 08 6 02D 08 5 68D 08 5 10D 08 4 01D 08 3 27D 08 2 34D 08 2 03D 08 6 32D 08 6 32D 08 6 32D 08 6 32D 08 6 32D 08 6 32D 08 6 31D 08 6 28D 08 6 23D 08 6 11D 08 5 97D 08 5 68D 08 5 39D 08 5 11D 08 4 86D 08 4 62D 08 4 40D 08 4 01D 08 3 24D 08 2 71D 08 2 03D 08 e C THERMAL ION ATOM RATE COEFFICIENT SOURCE LIST E C ISEL PRIMARY SECONDARY TYPE IBSEL SOURCE at EE ie eg ENEE LC lng ieee e 1 H 0 HE 2 CX 2 packages adas adas adf02 sia h sia h_j99 h dat E C W C Processing code ADAS302 C Producer H P Summers C Date 24 11 02 e C DAS Yn A Nn ey TY ae en ey a ey ee E N a ee Ne E ee EE Notes ADAS User manual Chap4 02 17
6. 8 66D 08 8 41D 09 1 15D 08 1 66D 08 2 54D 08 3 41D 08 5 06D 08 7 86D 08 01D 07 1 25D 07 1 48D 07 1 59D 07 1 61D 07 1 53D 07 1 42D 07 1 31D 07 21D 07 1 10D 07 9 14D 08 6 32D 08 5 12D 08 4 06D 08 2 97D 08 1 24D 08 1 57D 08 2 09D 08 2 97D 08 3 83D 08 5 44D 08 8 16D 08 03D 07 1 26D 07 1 49D 07 1 59D 07 1 61D 07 1 53D 07 1 42D 07 1 31D 07 20D 07 1 10D 07 9 14D 08 6 32D 08 5 11D 08 4 04D 08 4 25D 08 1 66D 08 2 01D 08 2 54D 08 3 41D 08 4 25D 08 5 82D 08 8 45D 08 05D 07 1 28D 07 1 50D 07 1 59D 07 1 61D 07 1 53D 07 1 42D 07 1 31D 07 20D 07 1 10D 07 9 14D 08 6 32D 08 5 09D 08 4 01D 08 6 54D 08 2 54D 08 2 89D 08 3 41D 08 4 25D 08 5 06D 08 6 54D 08 9 02D 08 10D 07 1 31D 07 1 51D 07 1 60D 07 1 61D 07 1 52D 07 1 41D 07 1 30D 07 19D 07 1 09D 07 9 13D 08 6 32D 08 5 07D 08 3 97D 08 00D 07 4 25D 08 4 58D 08 5 06D 08 5 82D 08 6 54D 08 7 85D 08 1 00D 07 18D 07 1 36D 07 1 54D 07 1 61D 07 1 61D 07 1 52D 07 1 40D 07 1 29D 07 18D 07 1 08D 07 9 11D 08 6 32D 08 5 03D 08 3 88D 08 ADAS User manual Chap4 02 17 March 2003 25D 07 5 82D 08 6 11D 08 6 54D 08 7 22D 08 7 85D 08 9 02D 08 1 10D 07 25D 07 1 41D 07 56D 07 1 62D 07 60D 07 1 51D 07 39D 07 1 28D 07 18D 07 1 08D 07 9 08D 08 6 32D 08 4 99D 08 3 81D 08 47D 07 7 86D 08 8 10D 08 8 45D 08 9 02D 08 9 55D 08 1 05D 07 1 21D 07 34D 07 1 47D 07 59D 07 1 63D 07 59D 07 1 49D 07 38D 07 1 27D 07 16D 07 1 07D 07 9 03D 08 6 31D
7. ADAS302 lon atom data graph and fit cross section The program interrogates ion atom reaction cross section collection files of type ADFO2 associated with a particular participant The cross section data may be interpolated using cubic splines at selected relative collision energies A minimax polynomial approximation is made to the interpolated data The interpolated data are displayed and a tabulation prepared The tabular and graphical output may be printed and includes the polynomial approximation Additionally double Maxwell averaged rate coefficients over primary and secondary temperature ranges may be obtained and a thermal ion atom file of a very similar format to adf14 output can be tabulated and printed Background theory In the situation of electron ion collisions the assumption that electron speeds are fast compared with ion speeds can usually be made Since the electron distribution function is also usually Maxwellian rate coefficients are the preferred form in ADAS for storage of electron collision data For ion atom collisions target and projectile speeds are comparable and so collision cross sections are the preferred means of storage For beam studies it is convenient to assemble collections of best available and comparative data for key collision reactions for each beam species These collections can then be used to selectively improve and maintain complex beam and beam driven models The interactive code provides bas
8. March 2003
9. a of type ADF24 ADFO2 has been re defined accordingly The older data format remains compatible with the interrogation but the information on Primary species Secondary Species and Reaction type is not available in the display window and is replaced by 5 The data set content can still be picked up with the Browse Comments button Chap4 02 17 March 2003 4 For production of rate coefficients the primary and secondary specie isotopic mass numbers are required 5 To obtain an output text file of the interpolated cross section at chosen energies click the button Your settings of collision energy output are shown in the energy display window The energy values at which the cross sections are stored in the data file input are also shown for information ADAS302 PROCESSING OPTIONS Title for Run ADAS User manual graph Data File Name packages adas adas adf02 siath siath_j99 h dat Browse Comments Polynomial Fitting Fit Polynomial value 15 Select data Block INDEX Primary Secondary Reaction species species type 2 H 0 HE 2 cx H O H 1 cx H O HE 2 cx H 0O LI 3 cx H O BE 4 cx H O B 5 cx El wom wj e Please enter the reactant mass numbers Primary 2 0 Secondary 4 0 Select Energies for output file jw Select Temperatures for TIA file W ut on ollision Energies Output Temperatures NN iINDEX Output Input INDEX Output Input
10. cka es adas adas akie2 Central Data User Data _ Edit Path Name siath siath_j99 h dat Data File Browse Comments Cancel Done siath_j97 h dat siath_j99 h dat siath_rfmth dat siath_tosth dat The processing options window has the appearance shown above ADAS User manual 1 An arbitrary title may be given for the case being processed For information the full pathway to the data set being analyzed is also shown The button Browse comment allows display of the information field section at the foot of the selected data set if it exists The output data extracted from the data file in the case of ADAS302 an ion atom collision cross section may be fitted with a polynomial as a function of energy Click the Fit polynomial button to activate it The accuracy of the fitting required may be specified in the editable box The value in the box is editable only if the Fit Polynomial button is active Available cross sections in the data set are displayed in the cross section list display window This is a scrollable window using the scroll bar to the right of the window Click anywhere on the row for a cross section to select it The selected cross section appears in the selection window just above the cross section list display window Note that the original definition of ADAS data format ADFO2 has become out dated and inconsistent with that of state selective charge transfer dat
11. ell averaged rate coefficient is ADAS User manual Chap4 02 17 March 2003 Figure 4 2 Output tables and graphs oo 3 2 HE E Ee v T dv 4 23 1 0 where T is the thermal temperature of the first particle ADAS302 uses the same range of temperatures for both donor and receiver for preparing a thermal ion atom output file Program steps These are summarised in figure 4 2 compute spline begin 5 read and verify select xsect GE resection and give output collection file collection file energies and temperatures repeat repeat A accumulate lt data in TIA display cross end file section graph Interactive parameter comments ADAS302 which make use of data from archived ADAS datasets initiates an interactive dialogue with the user in three parts namely input file selection entry of user data and disposition of output The file selection window is shown below 1 ADAS User manual Data root shows the full pathway to the appropriate data subdirectories Click the Central Data button to insert the default central ADAS pathway to the correct data type ADFO2 in this case Note that each type of data is stored according to its ADAS data format adf number 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 to ce
12. ic interrogation and display of cross sections from these collections only The situation when both target and projectile have thermal velocity distribution functions is common With independent temperatures assigned to the two distributions reasonable description of for example tokamak divertor processes without the complexity of handling explicit non thermal distribution functions may be made For particles of masses m and m with speeds v and v since the collision cross section depends only on the relative velocity of the collision partners it is convenient to orientate the direction of the first particle along the z axis and measure the direction of the second particle relative to this Since Viel yy Au 2v v cos the integral over the angle 0 is performed first as T qra Vi Y2 Vra UN Sin 8 48 0 poe 4 2 1 a V rel Q V rel JA HH NEE followed by the integral over the speed of the second particle v as 3 2 m 1in v3 IkT dm Tri g vie rae ag P gt 27nkT 5 4 4 2 where T is the thermal temperature of the second particle This integral is relevant to beam plasma reactions were the reaction rate coefficients for a monoenergetic beam atom in collision with a plasma ion of thermal distribution function is required Routines exist in the ADAS subroutine library which form first integrals over the cross sections see appendix The final double Maxw
13. itten on exiting ADAS302 and is placed by default in your pass directory The Graphical output window is shown below 1 Printing of the currently displayed graph is activated by the Print button E Print ADAS User manual Chap4 02 17 March 2003 Illustration The output from the programme is illustrated in figure 4 2a for the total capture by HT from a deuterium beam atom in its ground state Dien Input values in the source data set are shown as crosses The spine curve is the continuous line and the minimax polynomial fit is the dashed curve The tabular output is shown in table 4 2a Output data which requires extrapolation beyond the range of the original data in the source ADFO2 file are indicated by when necessary An example of the thermal ion atom file is shown in table 4 2b Figure 4 2a CROSS SECTION VS COLLISION ENERGY ADAS USER MANUAL EXAMPLE ADAS ADAS RELEASE ADAS98 V2 5 6 PROGRAM ADAS302 V1 3 DATE 24 11 02 TIME 10 22 FILE packages adas adas adf02 sia h sia h_j99 h dat BLK 2 lt H O gt lt HE 2 gt lt CX gt MINIMAX LOGFIT DEGREE 6 ACCURACY 4 95 END GRADIENT LOWER 2 87 UPPER 3 37 KEY CROSSES INPUT DATA FULL LINE SPLINE FIT DASH LINE MINIMAX 14 10 E Ted E GE Tt itt TT TT TT TA REACTION INPORUATION T TRANSITION TYPE Cx C PRIMARY H 0 le SECONDARY 19718 Deem ege HE 2 J Ba J T 10718 4 z E
14. ntral 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 Available sub directories are shown in the large file display window There are a number of these stored by principal eg neutral hydrogen sia h The individual members are identified by the subdirectory name a year and then principal reactant eg sia h_j99h dat The data sets generally contain ionisation charge exchange and excitation data Thew detailed presciption of ADFO2 is in appxa 02 of the manual 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 displayed in the file display window Ultimately the individual datafiles are presented for selection Datafiles all have the termination dat Once a 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 datafile It is important to use this facility to Chap4 02 17 March 2003 find out what is broadly available in the dataset The possibility of browsing the comments appears in the subsequent main window also Clicking the Done button moves you forward to the next window Clicking the Cancel button takes you back to the previous window Input Dataset Data Root Y pa
15. ou can work in a choice of temperature units ADAS302 creates a two dimensional array of thermal ion atom rate coefficients from the selected cross section The same set of temperatures is used for both donor and receiver 11 At the base of the window the icon for Exit to Menu is present This quits the program and returns you to the ADAS series 3 menu Remember that Done takes you forward to the next screen while Cancel takes you back to the previous screen The output options window appearance is shown below ADAS302 OUTPUT OPTIONS ale Data File Name packages adas adas adf02 siath siath_j99 h dat Browse Comments W Graphical Output Select Device Graph Title ADAS User manual example Post Script Post Script HP PCL Xomax lt HP GL _ Explicit Scaling Sona Sin i Enable Hard Copy _ Replace File Name adas302_graph ps Text Output W Append _ Replace Default File Name jadas302_paper txt File Name I TIA Coefft File _ Replace Default File Name File Name home sumers adas pass adas302_tiaout p File confirmed N B Only when you exit ADAS 302 will TIA output he sent to this file Cancel Done 1 As in the previous window the full pathway to the file being analysed is shown for information Also the Browse comments button is available ADAS User manual Chap4 02 17 March 2003 Graphical di
16. splay is activated by the Graphical Output button This will cause a graph to be displayed following completion of this window When graphical display is active an arbitrary title may be entered which appears on the top line of the displayed graph By default graph scaling is adjusted to match the required outputs Press the Explicit Scaling button to allow explicit minima and maxima for the graph axes to be inserted Activating this button makes the minimum and maximum boxes editable Hard copy is activated by the Enable Hard Copy button The File name box then becomes editable If the output graphic file already exists and the Replace button has not been activated a pop up window issues a warning A choice of output graph plotting devices is given in the Device list window Clicking on the required device selects it It appears in the selection window above the Device list window The Text Output button activates writing to a text output file The file name may be entered in the editable File name box when Text Output is on The default file name paper txt may be set by pressing the button Default file name Output of the tia file may be enabled The Default file name and Replace options are set up at the first pass through this window Note that the actual output is deferred This is to allow processing of further cross sections so that a complete tia file for applications may be built up in one session The TIA file is wr
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