TRIM: Output Files: Chapter Contents
TRIM: Output Files: Chapter Contents
TRIM: Output Files: Chapter Contents
The output of TRIM can be viewed in plots (while the calculation is proceeding) and also in detailed numerical files. The plots are especially useful to see if the calculation is proceeding as expected, but are usually limited in resolution. Most of the datafiles can be requested in the Setup Window for TRIM (menus at the bottom of the window) or can be requested during the calculation. All calculated averages are made over the entire calculation, regardless of when they are requested. That is, if you request a plot of ion ranges after the 100th ion, it will include all the previous ions. Other types of datafiles show details of each ions interactions, and are started with the file is selected, and continues filing data on each following ion until the file is stopped. If you leave the plots or datafiles live during a calculation, they may signficantly slow down TRIM.
Chapter Contents
9 - TRIM: Output Files ................................................................................................................. 9-1 Brief Summary of TRIM Plots and Data Files ...................................................................... 9-2 Ion/Recoil Distribution Plots and Files: ............................................................................... 9-2 Target Damage Plots and Files: ............................................................................................ 9-3 Full Calculation Details (Datafile COLLISON.txt) ............................................................. 9-3 Ion / Target Example used for Chapters Output Plots and Files ....................................... 9-4 Ion Range Distribution and Recoil Atom Distributions........................................................ 9-9 3-Dimensional Ion Range Distributions ............................................................................. 9-13 Datafile of Ion Trajectory and Energy in the Target.......................................................... 9-14 Lateral Ion Range Distribution ........................................................................................... 9-15 3-D plots of the Ions Electronic Energy Loss.................................................................... 9-17 Backscattered Ions ................................................................................................................. 9-18 Transmitted Ions .................................................................................................................... 9-20 Sputtered Target Atoms ........................................................................................................ 9-21 Combined Tables of Backscattering, Transmitted and Sputtering ................................... 9-24 Ions Energy Loss to the Target Electrons.......................................................................... 9-25 Ions Energy Loss to the Target Phonons........................................................................... 9-26 Energy Loss to Vacancy Production / Replacement Collisions.......................................... 9-27 Energy Loss from Ions Energy Loss Absorbed by Target Atoms.................................... 9-31 Details of the Ion-Atom Collision Kinetics ........................................................................... 9-33 Physics of Recoil Cascades..................................................................................................... 9-33 COLLISON.txt - Type "A" Ions and Quick Estimate of Damage................................... 9-35 COLLISON.txt - Type "B" Ions and Recoil Atoms (no cascade data) ........................... 9-36 COLLISON.txt - Type "C" Ions, Recoil Atoms and Cascades........................................ 9-38 Special Commands for a TRIM Calculation........................................................................ 9-39 Changing TRIM Parameters during the Calculation......................................................... 9-39 Changing TRIM Plots and Colors (TRIM.cfg)................................................................... 9-40 Making TRIM Animated Plots ............................................................................................ 9-40 TRIM Help, FAQ and Scientific Explanations .............................................................. 9-41
Note that TRIM can be stopped during the calculation, and basic parameters may be changed. This allows the user to focus the calculation on a specific problem without having to start over. To change TRIM during a calculation, click on the button Pause TRIM at the top of the TRIM Calculation window. Then press Change TRIM. All the parameters that can be changed will have a yellow background, and it includes almost all Setup parameters. Make changes in the parameters, or in the colors used for the plots (clicking on the colors in the Target Data window will bring up a color-chart to use). When you are done, press End Edit and then Continue. This procedure allows the user to modify a TRIM calculation simply, or to superimpose several calculations.
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These ions, and their kinetic data (final energy and trajectory) can be found in the file TRANSMIT.txt which is shown in Table 9-10. There is no plot for this data.
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To get the most detailed file on ion interactions and all the recoil cascades, in the TRIM Setup window select Monolayer Collision Step in the Damage menu in the upper-right corner. Then check Collision Details in the same TRIM Setup window, at the bottom. When a sub-menu comes up and asks if details of the Recoils should also be kept, answer Yes. This selection will overwhelm you with data. For the only the first 5 ions of the ion/target used in this chapter for an example (see Figure 9-1), TRIM will generate 94,000 numbers concerning 12,000 collisions. TRIM provides various filters to help you to screen this data. For example, if you are mostly interested in sampling the ions impact on the target, change your TRIM Setup selection from Monolayer Collision Step to Detailed Calculation with Full Damage Cascades, and the output datafile drops by 10% to 11,000 collisions. This is because TRIM now uses the Free Flight Path assumption. To further filter the data, if you care mostly about how the ion affects the targets, and you can ignore the recoil cascades, then when you are in the TRIM Setup window, select Collision Details and when the sub-menu asks to store data about the recoils, answer No. This will reduce the COLLISON.txt output for the first 5 ions by 90%, down to about 1,100 collisions.
Ion / Target Example used for Chapters Output Plots and Files
In most of the following examples, the calculation will be one of the TRIM Demo Examples available from the TRIM Setup window. This Demo example is a beam of Boron at 200 keV, into a three layer target, see Figure 9-1.
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Target layer phases (0=Solid, 1=Gas) 0 0 0 Target Compound Corrections (Bragg) 1 1 1 Individual target atom displacement energies (eV) 21 22 23 22 Individual target atom lattice binding energies (eV) 2.1 2.2 2.3 2.2 Individual target atom surface binding energies (eV) 3.1 3.2 3.3 3.2 Stopping Power Version (1=2006, 0=2006) 0 Briefly, TRIM.INs information is mostly in two-line increments. The first line of each pair is a text explanation and does not contain data, and it is followed by a data line which contains the data values. ----------------Thefirst line of TRIM.IN contains the version number of the SRIM software being used: ===> SRIM-2008.01 This file controls TRIM Calculations. ----------------The 2nd and 3rd lines contain information about the ion (atomic number, mass, energy and incident angle to the target), the total ions to calculate (20,000), a term called Bragg Corr that is not used, and the AutoSave number (the TRIM calculation is automatically saved after this number of ions).
Ion: Z1 , M1, Energy (keV), Angle,Number,Bragg Corr,AutoSave Number. 5 11 200 0 20000 0 5000 (Note: Several parameters in TRIM are unused, which means they are left-over from earlier TRIM versions and are kept as dummy variables so TRIM is compatible with other software.)
-----------------
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The next two lines contain parameters for the calculation: (a) the Cascades number declares the type of Damage Calculation (upper right menu of the TRIM Setup window), and (b) a random number seed (use zero to use the default value)
Cascades(1=No;2=Full;3=Sputt;4-5=Ions;6-7=Neutrons), Random Number Seed 2 0
----------------The next two lines contain instructions about any datafiles that should be created when TRIM starts (these datafiles are described in the menu at the bottom of the TRIM Setup window). Note that the explanation line is quite long and is duplicated here as two lines of text. In the data line, a 0 means no file, and a 1 asks that this file be created. The EXYZ parameter may be a number such as 1000 - see the section on this file later in this chapter.
Diskfiles (0=no,1=yes): Ranges, Backscatt, Transmit, Sputtered, Collisions(1=Ion;2=Ion+Recoils), Special EXYZ.txt file 0 0 0 1 0 0
-----------------
The next data line contains (a) a description of the calculation that will be included in every datafile that is produced by TRIM (must be in quotes), and (b) the number of elements in the target and the number of layers in the target. This latter information is necessary because the TRIM.IN file may have several lines of data depending on the number of elements and layers in the target.
Target material : Number of Elements & Layers "B into W/SiO2/Silicon (Double Peak) "
-----------------
The next data line gives that type of initial plot that TRIM should display (use 0 for no plot), and the depths of the Viewing Window. This window can cover the entire target depth, or it can blowup a small segment of the target so interactions may be seen with greater detail. To default the Viewing Window to the total target depth, you can use 0 0 as the depths.
PlotType (0-5); Plot Depths: Xmin, Xmax(A) [=0 0 for Viewing Full Target] 1 0 300
-----------------
The next data lines defines the elements in the target. First is the chemical symbol, then the atomic number and finally the mass of each target atom. The number of lines must agree with the number of target elements declared above. The first 15 characters in each line are ignored (e.g. Atom 1 = W = ) and are only included to make the file readable. Only the Z and Mass are used by TRIM. In this example, Si (Z=14) is included twice to allow separate analysis of their recoil distributions.
Target Atom 1 Atom 2 Atom 3 Atom 4 Elements: = W = = Si = = O = = Si = Z 74 14 8 14 Mass(amu) 183 28 16 28
-----------------
The next section describes each layer of the target. Note that the explanations takes up two lines of the TRIM.IN datafile. The Layer Name is a description (in quotes) that will appear in all the plots. In order to get subscripts use a @ symbol as shown below for the SiO2 layer. You can get a superscript by using the symbol $. If you use one of these in the middle of a layer name, then you can return the lettering to normal size using a _ character. For example, Fe@2_O@3 will create Fe2O3 for that layer name. Following the layer name is the layer width (), the layer density (g/cm3), and the relative concentration of each of the elements in that layer of the target.
Layer Numb. 1 2 3
-----------------
W(74) Stoich 1 0 0
Si(14) Stoich 0 0 1
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The next two lines give the phase state of the layers, i.e. whether each layer is a solid or a gas. This is used to calculate the stopping of the ions because, in general, gases have a higher stopping power that equivalent solids (see Chapter 5). Target layer phases (0=Solid, 1=Gas) 0 0 0 ------------------------------The next two lines give any bonding corrections that need to be applied to the electronic stopping powers of the ion (see Chapter 5). A 1 means no special bonding correction. Target Compound Corrections (Bragg) 1 1 1 ------------------------------The next section gives the damage parameters for the target layers. Each atom has a Displacement Energy, Binding Energy and Surface Binding Energy for each layer. All energies are in units of eV. If an atom does not appear in one layer, you can input 0 for the required energy. See Chapter 7, TRIM Theory, for more details. Individual target atom displacement energies (eV) 21 22 23 22 Individual target atom lattice binding energies (eV) 2.1 2.2 2.3 2.2 Individual target atom surface binding energies (eV) 3.1 3.2 3.3 3.2 ------------------------------The final input is a declaration of which version of SRIMs Stopping Powers to use. About every 5 years, the complete stopping theory of SRIM is revisited and all the experimental data of that period is added to the database. Any new ideas on stopping theory are also included. This results in new stopping power concepts, and variations in stopping powers from earlier versions of SRIM. The user is usually given the choice of using the new stopping powers, or an older version, for the first couple of years after a major change. Stopping Power Version (1=2008, 0=2003) 1
A second file containing all the information of a TRIM calculation is found in: ../SRIM Restore/TDATA.sav, see Table 9-2. This datafile is created when a TRIM calculation in interrupted, and includes data on the calculation in progress as well as any changes that the user has made to the TRIM parameters after the calculation has started. This file, Table 9-2, begins with the version number of SRIM, and the ID text that you gave to the calculation. It then relates the ion data: Atomic Number = 5 (boron), Mass = 11 amu, Energy = 200 keV, impacting at an angle of 0o to the target (perpendicular incidence). The next item lists the current status of the calculation. This calculation was stopped at ion number 13,126 of a total of 99,999 requested ions. The calculation had an auto-save every 10,000 ions. This means that for a long calculation, after every 10,000 ions all the calculation is saved so if there is a computer failure, the calculation can be restarted at the point of this last save. The Save Number can have any value it is part of your input in the TRIM Setup window. Finally, the calculation to date had zero transmitted ions (ions that went completely through the target) but there were 772 backscattered boron ions. The next lines start to record details at the instant the calculation was stopped. Most of this data is omitted in Table 9-2 to save space. This file is used when you press the button Resume Saved TRIM Calc in the SRIM Setup window. When this
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button is selected, TRIM reads the data files of the last calculation, including ../SRIM Restore/TDATA.sav, and can then resume the calculation from the point that it was last saved.
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check-box called "Ion 3-D Ranges" This option is described later.) The range distribution ordinate unit is atoms/(-ion). If you multiply this value by an ion dose (atoms/cm2) you will have the concentration of ions in the target (units of atoms/-cm2 = 108 atoms/cm3). The plot uses units of in order to keep the numerical ordinate values on the plot as small numbers. The word dose is sometimes called fluence, and is also called the areal density of injected ions in units of atoms/cm2.
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and also at the HELP at the top of the TRIM Calculation window by clicking on the button FAQs and .Scientific Explanations. Look for the topic Statistics of Range Distributions. Table 9-3 shows the top part of the file ../SRIM Outputs/RANGE.txt, which includes all the data on the ion and the target, as well as details about the calculation. For the case shown, a total of 13,073 ions were calculated, giving rather accurate ion and atom recoil distributions.
---- Data Omitted from Table ---Table 9-4 shows the bottom part of the file ../SRIM Outputs/RANGE.txts. It shows the final numerical values for the ions and the recoiling target atoms. The table has units of Atoms/(-Ion). If you multiply the tabulated values by the ion dose in units of (108 Ions/cm2), the number will directly give the atom density: in units of Atoms/cm3 (1 cm = 108 .). The plot uses units of in order to keep the numerical values small. Note: the word dose is sometimes called fluence, and it is the areal density of injected ions usually in units of Ions/cm2. Table 9-4 contains all the details of the final ion range distribution, and also the final distribution of recoiling target atoms. The table has exactly 100 rows. The target in the SRIM "viewing
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window" is divided into 100 sub-units. If the target window is 1000A deep, then each row represents the atoms that end up in each 10A of the target. For a 10,000A target, each row would represent 100A. For the below data, since the target is 7000 thick, each row is 70A deep. It is possible to obtain high depth resolution for a thick target by changing the viewing window in the TRIM Setup window. The Viewing window does not have to coincide with the target thickness. For example, in one of the TRIM Demo calculations for He (5 MeV) in a Gas Ionization Detector the target is 50mm deep, but the viewing window is only the deepest 10mm, resulting in a range resolution of 0.1mm for tables like Table 9-4. The table units are Atoms/(Angstrom-Ion). If you multiply the values below by the ion dose in units of (108 Ions/cm2), the number will directly give the atom density: in units of Atoms/cm3 (1 cm = 108 .)
---- Header Data Omitted from Table ---================================================================ Table Distribution Units are >>> Atoms / Angstrom / Ion <<< ================================================================ DEPTH B W Si O (Ang.) Ions Tgt.Atoms Tgt.Atoms Tgt.Atoms ----------- ---------- ---------- ---------- ---------700100.E-04 1.6391E-05 2.0148E-01 0.0000E+00 0.0000E+00 140010.E-03 5.0267E-05 2.7968E-01 0.0000E+00 0.0000E+00 210010.E-03 7.4308E-05 3.0354E-01 0.0000E+00 0.0000E+00 280010.E-03 7.7586E-05 3.0185E-01 0.0000E+00 0.0000E+00 350010.E-03 1.3004E-04 3.3463E-01 0.0000E+00 0.0000E+00 420010.E-03 1.3987E-04 3.4757E-01 0.0000E+00 0.0000E+00 490010.E-03 1.2130E-04 3.6789E-01 0.0000E+00 0.0000E+00 560010.E-03 1.7703E-04 3.9409E-01 0.0000E+00 0.0000E+00 630010.E-03 1.6391E-04 4.1051E-01 0.0000E+00 0.0000E+00 700010.E-03 2.0763E-04 4.3998E-01 0.0000E+00 0.0000E+00 770010.E-03 2.2183E-04 4.6267E-01 0.0000E+00 0.0000E+00 840010.E-03 2.0435E-04 4.5805E-01 0.0000E+00 0.0000E+00 910010.E-03 2.3932E-04 4.8242E-01 0.0000E+00 0.0000E+00 980010.E-03 2.6336E-04 5.0354E-01 0.0000E+00 0.0000E+00 105001.E-02 2.7647E-04 5.3107E-01 0.0000E+00 0.0000E+00 112001.E-02 2.8521E-04 5.3404E-01 0.0000E+00 0.0000E+00 119001.E-02 3.1909E-04 5.4979E-01 0.0000E+00 0.0000E+00 126001.E-02 3.2127E-04 5.8185E-01 0.0000E+00 0.0000E+00 133001.E-02 3.2674E-04 5.8240E-01 0.0000E+00 0.0000E+00 140001.E-02 3.5187E-04 5.7759E-01 0.0000E+00 1.0928E-06 147001.E-02 3.3111E-04 5.8807E-01 0.0000E+00 0.0000E+00 154001.E-02 3.6498E-04 5.5097E-01 0.0000E+00 0.0000E+00 161001.E-02 3.5296E-04 5.4462E-01 0.0000E+00 0.0000E+00
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beam is specified as at an angle to the target, this angle is in the X-Y plane. See details in Chapter 7 and 8. This table can then be used to generate special 3-D plots such as shown in Table 9-4 using standard 3-D software (not included in SRIM).
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made into the file of the Bi ion's position. That is, the ion's position is stored at energies of about 500 keV, 475 keV, 450 keV, 425 keV.
Table 9-6 - Table of 3-D Position of Ion Trajectory and Energy in Target
= Ion Energy vs Position File = ===================================================================== = AXIS DEFINITIONS: X=Depth, Y,Z= Lateral plane of target surface.= = (If beam enters target at an angle, this tilt is in Y direction)= = Shown are: Ion Number, Energy (keV), X, Y, Z Position = ================== CALCULATION DATA ============================= Ion Data: Name, Mass, Energy , Energy Interval B 11.00 200keV 10000eV =====================================================================
Ion Number Energy (keV) Depth (X) (Angstrom) Y (Angstrom) Z (Angstrom) Electronic Stop.(eV/A) Energy Lost to Last Recoil(eV)
---------------
0000001 0000001 0000001 0000001 0000001 0000001 0000001 0000001 0000001 0000001
2.0000E+02 1.8952E+02 1.7998E+02 1.6847E+02 1.5974E+02 1.4987E+02 1.3997E+02 1.2475E+02 1.1635E+02 1.0966E+02
0.0000E+00 0.0000E+00 0.0000E+00 1.5127E+02 -7.5751E-01 -1.0005E+00 2.7998E+02 1.0416E+00 -1.0838E+01 3.7142E+02 8.0857E+00 -1.9087E+01 4.7846E+02 2.4859E+01 -3.2319E+01 5.7549E+02 4.1584E+01 -4.8587E+01 8.1777E+02 6.6407E+01 -9.5390E+01 9.8262E+02 7.9988E+01 -1.2718E+02 1.0987E+03 -7.8480E+01 -1.8039E+02 1.1916E+03 -2.5511E+02 -2.0275E+02
7.1892E+01 7.0049E+01 6.8356E+01 6.6291E+01 6.4704E+01 6.2887E+01 6.1027E+01 5.8073E+01 5.6371E+01 5.4967E+01
0.0000E+00 2.2508E+00 2.4354E-01 3.7167E+00 2.0871E+00 5.2197E+01 6.5079E+01 7.0028E+03 6.4216E+00 7.1201E+00
Where yi is the final y-axis value of the ion, zi, is the final z-axis value of the ion, and N is the number of ions calculated. Thus the Lateral Range is merely the average final y-z displacement of the ions assuming a perpendicular incidence of the ion beam.
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The datafile, ../SRIM Outputs/LATERAL.txt , and the plot summaries the lateral spread of ions within the target window. The plot is created when the TRIM Calculation window button Lateral Range Plot is pressed, and then this plot is updated after each later ion. The continuous display of the plot slows down the calculation. The datafile is created once, when the Lateral Range File button is pressed (see Table 9-7 below) The datafile summarizes the calculation to that point. Also included in this datafile are averages of both the Range, the Lateral Range and the Radial Range.. The datafile also includes the extended note: NOTE : The Projected LATERAL Spread is based on a projection on a plane - just the way the XY or XZ displays look on the screen. The Lateral Projected Range is defined as the average of the absolute values of the projected lateral displacements from the Xaxis. One use of this range: If a mask covers half of a target, the lateral range is the distance under the mask where the concentration drops to 25% (at the mask edge the concentration= 50% of the uniform value). The Radial Range is the mean radial displacement range from the X-axis assuming cylindrical symmetry.
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After several ions are completed, stop TRIM Now edit the file COLLISON.txt. You will see a file like the one shown below:
+------------------------- COLLISION HISTORY ---------------------------------+ NOTES: Only Ion Collisions which produce Displacements are tabulated. Atom Sums and Averages are Incomplete if Recoil Cascades Leave Target. Target DISPlacements = VACancies + REPLACement Collisions. Target VACancies = INTERstitial Atoms + (Atoms Leave Target Volume). ------------------------------------------------------------------------------- Ion Energy Depth Lateral Dist(A) Se AtomRecoil Tgt Tgt Tgt Tgt Num (keV) (A) Y Axis Z Axis (eV/A)HitEngy(eV)DISPVACREPLACINTER ----+---------+-------+------+--------+------+---+--------+----+---+------+----- 1 16.00E+00 33E+00 1E-05 4E+00 15.84 W 83E+00 0 0 0 0 1 16.10E+00 49E+00 -3E-02 7E+00 15.86 W 57E+00 4 2 2 2 1 16.28E+00 65E+00 -6E+00 6E+00 15.93 W 94E+00 2 1 1 1 1 16.06E+00111E+00-12E+00 -8E+00 15.85 W 48E+00 4 1 3 1 1 15.00E+00125E+00-14E+00-15E+00 15.32 W 114E+00 2 1 1 1
--------------- Data Omitted ------------------This file shows the three-dimensional position of each major collision between the ion and the target atoms. It also shows in column six the instantaneous electronic energy loss of the ion to the target in units of eV/. If you need the three-dimensional electronic energy loss of the ion to the target, you now have all the necessary information. To obtain the energy deposited, calculate the path length between two successive collisions and multiply by the specific energy loss. For example, the distance between the first two collisions shown above is 16.3, with an energy loss of 15.86 eV/. This means the ion loses 258 eV into electronic excitations in this segment. If higher accuracy is needed, one can interpolate between the instantaneous energy loss values shown at each major collision point. Note that electronic stopping, col. 6, does not smoothly change due to Monte Carlo straggling variations. NOTE that this table does not include the electronic energy loss of recoiling atoms- only that of the ions. This application was suggested by Lidia Didenko, Univ. of Maryland.
Backscattered Ions
Backscattered ions are those which, after one or more target collisions, have a trajectory that exits the target back through its surface. The datafile ../SRIM Outputs/BACKSCAT.txt contains the kinetic data of Backscattered Ions. The datafile is opened when the Backscattered Ions selection is checked in the TRIM Setup window , or when the Backscattered Ions button is pressed in the TRIM Calculation window. An example is shown in Table 9-9 for the target shown in Figure 9-1. The first 9 lines of BACKSCAT.txt describe the data in this file. Line #10 is a short description of the current calculation based on your input.
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---- Data Omitted from Table ---For correct Display of this datafile, use Microsoft font Courier New or MS-LineDraw. Linedraw is included in the SRIM software package. See the subdirectory: SRIM/Data/Linedraw.ttf
Lines #11 - 12 are descriptive headers to the columns of data. The first column in all the data fields in this table is the letter "B" which indicates that this is a backscattered ion. This letter is also used in the summary file TRIMOUT.dat (see Table 9-13) which includes entries from datafiles BACKSCAT.txt, TRANSMIT.txt and SPUTTER.txt. Next is the sequential ion number starting with #18 (ion numbers 1-17 are not backscattered and are omitted), followed by ion #59. Column #3 is the atomic number of the ion. Column #4 is the energy of the backscattered ion (eV) as it leaves the target. Column #5 is its position when it was declared backscattered. Since the target atoms are randomly placed within their lattice cells, this number will vary slightly from zero, but will always be in the upper monolayer of the target. Columns #6-7 are the lateral position of the ion when it exits the target. Columns #8-10 are the directional cosines of the trajectory of the backscattered ion. Note that cos(X) is always negative, since the x-axis measures depth into the target and this indicates a backwards trajectory. Note that all the data files BACKSCAT.txt, TRANSMIT.txt and SPUTTER.txt (Table 9-9, Table 9-10 and Table 9-11) have the same format, and can be used as input for a subsequent TRIM calculation. This is necessary for some of the special applications discussed in Chapter 8, the TRIM Input chapter.
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Transmitted Ions
The plot and the datafile ../SRIM Outputs/TRANSMIT.txt contains the kinetic data of Transmitted Ions. It contains the kinetic data of Ions which leave the bottom of the target. The datafile is opened when the Transmitted Ions selection is checked in the TRIM Setup window, or when the Transmitted Ions button is pressed in the TRIM Calculation window.
---- Data Omitted from Table ---For correct Display of this file, use Microsoft font Courier New or MS-LineDraw. Linedraw is included in the SRIM software package. See the subdirectory: SRIM/Data/Linedraw.ttf
NOTE: Table 9-10 was calculated with the target of Figure 9-1, however the boron ions were set at 300 keV, instead of 200 keV, in order to get some ions transmitted through the target. The first 7 lines of TRANSMIT.TXT, Table 9-10, describe the data. Line #8 is a short description of the calculation based on your input. Lines #9 - 10 are descriptive headers to the data fields. Beginning in line #11 is the data. The first item in all these data fields is the letter "T" which indicates that this is a transmitted ion (this letter is also used in the summary file TRIMOUT.DAT (see Table 9-13) which includes entries from BACKSCAT.TXT, TRANSMIT.TXT and SPUTTER.TXT.) Next is the sequential ion number (ions number 2-6 are not transmitted). Column #3 is the atomic number of the ion. Column #4 is the energy of the transmitted ion (eV). Column #5 is its position when it was declared transmitted. Since the target atoms are randomly placed within their lattice cells, this number will vary slightly from the total target depth of 7000. Columns #6-7 are the lateral position of the ion when it exits the target. Columns #8-10 are the directional cosines of the trajectory of the backscattered ion. Note that cos(X) is always positive, since the x-axis measures depth into the target, and cos(x) = 1 would mean a perpendicular exit from the target. Note that all the data files BACKSCAT.txt, TRANSMIT.txt and SPUTTER.txt (Table 9-9, Table 9-10 and Table 9-11) have the same format, and can be used as input for a subsequent TRIM
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calculations. This is necessary for some of the special applications discussed in Chapter 8, the TRIM Manual.
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========================================================================
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The bottom part of the ../SRIM Outputs/SPUTTER.txt datafile is shown in Table 9-12. The format is the same as seen for the BACKSCAT.txt and the TRANSMIT.txt files, only the leading character at the left is an S instead of a B or a T. Note that ion numbers 1-3 sputter no atoms, and then #4 is responsible for nine sputtered target atoms. Then ion #6 sputters one atom, and the next 14 ions sputter none. There is additional sputtering with ions #21 and #60. Often there will be no sputtering, and then one ion is scattered with a near-surface trajectory and sputters a group of surface atoms.
---- Data Omitted from Table ---For correct Display of this file, use Microsoft font Courier New or MS-LineDraw. Linedraw is included in the SRIM software package. See the subdirectory: SRIM/Data/Linedraw.ttf
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Combined Sputtering
Tables
of
Backscattering,
Transmitted
and
TRIMOUT.TXT contains all the information of BACKSCAT.TXT, TRANSMIT.TXT and SPUTTER.TXT which are shown in Table 9-9 to Table 9-12. See explanations of these tables for details. TRIMOUT.TXT is generated automatically when you ask for any of the other output tables. It will only contain the data requested, e.g. if you request backscattered and sputtered data, the transmitted ion data will not be recorded.
---- Data Omitted from Table ---For correct Display of this file, use Microsoft font Courier New or MS-LineDraw. Linedraw is included in the SRIM software package. See the subdirectory: SRIM/Data/Linedraw.ttf
Note that every type of atom is covered here. There are 12 sputtered atoms, all of the target atom, tungsten (Z=74); there are 4 transmitted atoms, all of the incident ion, boron (Z=5); and there are 2 backscattered atoms, boron (Z=5). Since TRIM always assumes a zero-dose approximation (the incident ion does not pile up in the target), the sputtered and backscattered atoms always must be the same as the incident ion, and the sputtered atoms must always be a target atom.
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---- Header Information omitted from Table ---=========================================================== Total Ions calculated =003859.69 Ionization Units are >>>> eV / Angstrom / Ion <<<< =============================================================== TARGET IONIZ. IONIZ. DEPTH by by (Ang) IONS RECOILS ----------- ----------- ----------700100.E-04 7770.18E-02 2116.60E-03 140010.E-03 7837.15E-02 2705.78E-03 210010.E-03 8014.79E-02 2966.79E-03 280010.E-03 8144.14E-02 2875.40E-03 350010.E-03 8216.98E-02 3197.69E-03 420010.E-03 8345.11E-02 3316.41E-03 490010.E-03 8418.28E-02 3501.37E-03 560010.E-03 8565.63E-02 3741.85E-03 630010.E-03 8562.24E-02 3874.91E-03 700010.E-03 8581.36E-02 4178.15E-03
---- Data Omitted from Table ---The left hand column in all tables is the depth of the bottom of each bin. The tabulated event units are usually: eV/(-Ion). The Header of datafile IONIZ.txt, indicates the version of TRIM used, the details of the ion and target structure, various collision parameters, and the final averages for the calculation. This header is omitted from Table 9-14. Note that the number of ions is not an integer (here 3859.69) since the calculation was stopped in mid-flight of ion #3860. All averages are calculated including this partial ion, i.e. the Ionization/Ion = (Total Ionization) / 3859.69.
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In the plot, >90% of the phonons are produced by the recoiling atoms, while a thin line near the bottom of the plot indicates the phonons produced by the ion.
Table 9-15 - PHONON.TXT (Energy Loss to Phonons) ---- Header Information omitted from Table --Table Units are DEPTH (Ang.) 700100.E-04 140010.E-03 210010.E-03 280010.E-03 >>>> Phonons / (Angstrom Ion) PHONONS by RECOILS 314755.E-05 458183.E-05 500557.E-05 500532.E-05 <<<<
========================================================
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Figure 9-10 -
The plot shows the number of target atom displacements made by the incident ions. The plot includes both displacements made by the ion and by all the recoiling target atoms. These displacements will lead to either a target vacancy, or a replacements collision (see following two plots). The above description has to be expanded for the special case of the displacement being caused not by the ion but by a recoiling target atom. If the recoiling atom knocks out a target atom, and the incoming atom does not have enough energy to go on, then it will fall into the lattice site emptied by the recoiling lattice atom. If the target atom and the recoiling target atom are the same element (which is natural since the recoiling atom probably originated in that same layer), then there is effectively no change in the target composition. For example, if an incoming recoiling W atom (110 eV) hits another W atom (with a displacement energy of 25 eV) and gives it 100 eV, the incoming ion will have only 10 eV left. This is below the displacement energy for W atoms in this layer, so it will merely replace the W atom that is knocked out. This is a Replacement Collision. Is this rare? No, it can be rather common, for in the target that we are using in this Chapter (see Figure 9-1), the calculation finds: Total Ions calculated =13081 Average Target Displacements = 1077 /Ion Average Target Vacancies = 940 /Ion Average Target Replacement Collisions = 137 /Ion So the ions and recoiling atoms create 1077 displacements/ion. Of these, 940 result in vacancies, and 137 result in Replacement Collisions. So Replacement Collisions are about 13% of the total displacements. See Chapters 7 and 8 for more details. The plot is created in the TRIM Calculation window, when the Damage Events Plot button is selected. The plot is created when the button is pressed, and then updated after each ion. The display of the plot slows down the calculation.
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Replacement Collisions
The figure shows the Replacement Collisions of the target. This is the special case where the target atom displacement is cause by a target atom of the same element, and after the collision takes place, the incoming atom does not have enough energy to leave the lattice site. Hence, it replaces the atom that it knocked out, and since it is the same elemental type, there is no change or damage to the target from this collision. Similar data for the other two layers shows a much smaller number of events in the SiO2 and Si layers, and the datafile table has to be consulted for values.
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Layer
Layer Width = 2.E+03 AAA ; Layer # 1- Density = 6.351E22 atoms/cm3 = 19.3 g/cm3 Layer # 1- W = 100 Atomic Percent = 100 Mass Percent
1 : Tungsten
Layer
Layer Width = 2.E+03 AAA ; Layer # 2- Density = 7.015E22 atoms/cm3 = 2.33 g/cm3 Layer # 2- Si = 33.3 Atomic Percent = 46.6 Mass Percent Layer # 2- O = 66.6 Atomic Percent = 53.3 Mass Percent
2 : SiO@2
Layer
Layer Width = 3.E+03 AAA ; Layer # 3- Density = 4.989E22 atoms/cm3 = 2.32 g/cm3 Layer # 3- Si = 100 Atomic Percent = 100 Mass Percent ============================================= Total Ions calculated =13081.00 Total Target Vacancies = 940 /Ion Total Target Displacements = 1077 /Ion Total Target Replacement Collisions = 137 /Ion ======================================================= Table Units are >>>> Number / (Angstrom _ Ion) <<<< ======================================================= DEPTH (A) Number ---------------------7001000.E-05 0000.029330 1400100.E-04 0000.040761 2100100.E-04 0000.044445 2800100.E-04 0000.043975 3500100.E-04 0000.048435 4200100.E-04 0000.050544 4900100.E-04 0000.053586 5600100.E-04 0000.057753
3 : Silicon
--- Data Omitted -----Energy Loss from Ions Energy Loss Absorbed by Target Atoms
There are two plots available which can be used to summarize the ions energy that goes into recoil cascades. They are generated in the TRIM Calculation window by selecting the Plot called Energy to Recoils. This generates the two plots shown below.
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Figure 9-13 - Plot of the Energy Transferred from the Ion to Recoil Atoms
This plot shows the energy transferred from the Ion to recoils. The layer of tungsten atoms absorbs more recoil energy than the other two layers combined.
Figure 9-14 - Plot of the Energy Absorbed by the Various Target Atoms
This plot shows the amount of energy absorbed by the W, Si and O atoms of the target. It is identical to Figure 9-13 except for the middle compound layer, SiO2, The energy in this layer is separated into that absorbed by the Si atoms and that for the O atoms (lower two lines) which add up to the energy deposited by the ions (upper curve). This plot is color-coded when viewed in SRIM and is much easier to understand.
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loss of that atom. Replacement collisions are not part of this equation because each replacement collision reduces the number of vacancies and the number of interstitials by one, leaving the equation in balance. Finally, an atom which comes to rest in the topmost monolayer of the target is always assumed to be a lattice atom if it originated in that layer (i.e. it is neither a replacement nor an interstitial atom). The calculation of cascades, target displacements, replacement collisions, etc. makes certain assumptions which are defined explicitly below: Assume an incident atom has atomic number Z1, and energy E. It has a collision within the target with an atom of atomic number Z2. After the collision, the incident ion has energy E1 and the struck atom has energy E2. Previously specified for the target are energies Ed, the displacement energy, Eb, the binding energy of a lattice atom to its site, and Ef, the final energy of a moving atom, below which it is considered to be stopped. A displacement occurs if E2>Ed (the hit atom is given enough energy to leave the site). A vacancy occurs if both E1>Ed and E2>Ed (both atoms have enough energy to leave the site). Both atoms then become moving atoms of the cascade. The energy, E2, of atom Z2 is reduced by Eb before it has another collision. If E2<Ed, then the struck atom does not have enough energy and it will vibrate back to its original site, releasing E2 as phonons. If E1<Ed and E2>Ed and Z1 = Z2, then the incoming atom will remain at the site and the collision is called a replacement collision with E1 released as phonons. The atom in the lattice site remains the same atom by exchange. This type of collision is common in single element targets with large recoil cascades. If E1<Ed and E2>Ed and Z1Z2, then Z1 becomes a stopped interstitial atom. Finally, if E1<Ed and E2<Ed, then Z1 becomes an interstitial and E1+E2 is released as phonons. If a target has several different elements in it, and each has a different displacement energy, then Ed will change for each atom of the cascade hitting different target atoms. For those using the TRIM "quick" calculation of target damage, TRIM uses the Kinchin-Pease analytic solution for target damage as modified by two later authors. Typical output is shown in the Chapter 9 on TRIM Outputs. The following references would also help in understanding its formalism: 1. 2. 3. Kinchin and R. S. Pease, Rep. Prog. Phys., vol. 18, 1 (1955). P. Sigmund, Rad. Eff., vol. 1, 15 (1969). M. J. Norgett, M. T. Robinson and I. M. Torrens, Nucl. Eng. Design, vol. 33, 50 (1974).
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check Collision Details in the same Setup window, at the bottom. When a sub-menu comes up and asks if details of the Recoils should also be kept, answer Yes. This selection will overwhelm you with data. For the first 5 ions of the ion/target used in this chapter for an example (see Figure 9-1), the datafile will contain 94,000 numbers concerning 12,000 collisions. TRIM provides various filters to help you to screen this data. For example, if you are mostly interested in sampling the ions impact on the target, change your TRIM Setup selection from Monolayer Collision Step to Detailed Calculation with Full Damage Cascades, and the output datafile drops by 10% to 11,000 collisions. This is because TRIM now uses the Free Flight Path assumption (see Ch. 8 and 9). To further filter the data, if you care mostly about how the ion affects the target, and you can ignore the recoil cascades, then when you are in the TRIM Setup window, select Collision Details and when the sub-menu asks to store data about the recoils, answer No. This will reduce the COLLISON.txt output for the first 5 ions another 90%, down to about 1,100 collisions. The datafile ..SRIM Outputs/COLLISON.txt contains the kinetic data of all Ion-Atom collisions. The datafile is opened when the Collision Details button is pressed either in the TRIM Setup window, or in the TRIM Calculation window. After this selection, data is added for every subsequent collision. Three types of files may be generated, which vary in the amount of detail stored:
(A) For a "Quick Damage" calculation, the damage details for each ion are summarized. No recoils are included. (B) For a "Full Recoils" calculation, the details of every ion/atom collision which leads to a displacement are itemized. (C) For a "Full Recoils" calculation, the details of every ion/atom collision and also every recoil atom/atom collision are itemized.
Special Note These files are the most complete data files in TRIM, since they contain every significant detail of the calculation. Type A does not contain every collision, since the Free Flight Path approximation allows large jumps of the ion over many monolayers of targets without intervening collisions. (See Chapter 7, TRIM Theory, on the concept of a Free Flight Path.) This approximation may be overridden by specifying Use Monolayer Steps in the setup window for TRIM (this selection is in the upper right corner of the TRIM Setup window). The file COLLISON.txt can increase in size very rapidly and GigaBytes of data may be generated for just a few thousand heavy ions with high energies. It is best to try a short test of COLLISON.txt to estimate the rate at which datafiles are generated. Each of the three types of COLLISON.txt (as noted above) will be considered separately. The output file contains a notation for the various approximations used so that you can tell the conditions that generated the file.
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damage, but may be in error by up to a factor of two. This approximation can be chosen in the TRIM Setup window, or in the TRIM Calculation window. When the Collision Details button is chosen in either window, a sub-menu asks whether a new file should be generated, or to add onto an existing file. Note that you must separately choose Ion Distribution with Quick Calculation of Damage (upper right corner in TRIM Setup window) in order to complete the selection of a type A datafile.
Table 9-18 - COLLISON.TXT (with Kinchin-Pease Damage) --- Datafile Header Deleted --Only Ion Collisions which produce Displacements are tabulated. Sums and Averages are Incomplete if Recoil Cascades Leave Target Target DISPlacements = VACancies + REPLACement Collisions. Target VACancies = INTERstitials + Sputtered + Transmitted Atoms Recoil Atoms which end at the surface, are not counted ================================================================
Ion Numb ---001 001 001 001 001 001 001 001 001 Energy (keV) --------19.44E+01 18.79E+01 18.30E+01 16.93E+01 16.46E+01 16.46E+01 15.87E+01 15.04E+01 13.69E+01 Depth (A) --------6556.E-03 1108.E-02 1983.E-02 3714.E-02 4553.E-02 4972.E-02 5387.E-02 7401.E-02 8856.E-02 Lateral Distance(A) Se Atom Recoil Target Y Axis Z Axis (eV/A) Hit Energy(eV) DISP. --------- --------- ----- -- --------- --------5879.E-04 7829.E-04 070.9 W 2692.E-03 001.000 -3462.E-03 2453.E-03 069.7 W 1391.E-02 002.372 -1796.E-02 -1620.E-03 068.9 W 9326.E-03 001.601 -3236.E-02 -5096.E-03 066.4 W 1346.E-02 002.297 -4331.E-02 1341.E-04 065.6 W 3279.E-03 001.000 -4685.E-02 5893.E-04 065.5 W 3610.E-02 006.046 -4707.E-02 -6262.E-03 064.5 W 3775.E-03 001.000 -6075.E-02 -4969.E-02 062.9 W 3549.E-02 005.947 -7700.E-02 -1139.E-01 060.4 W 4198.E-03 001.000
The datafile shown in Table 9-18 starts when ion #001 enters the target and has its first collision at a depth of 6.56 when it has an energy of 194.4 keV. (Because of the Free Flight Path, there is not a collision in every target monolayer.) The Lateral Distance column shows a slight displacement from the original ion axis. The ion hits a W atom, and gives up 2.69 eV to this atom. It creates 1.0 target displacements. Note that other harder collisions in the table generate fractional displacements since the displacements are calculated using the Kinchen-Pease approximation. If you wish to make the ion interact with every monolayer of the target, then in the TRIM Setup window specify Use Monolayer Collision Steps. Unlike the detailed damage and recoil data shown in the COLLISON.txt files type B and C, described below, for the Kinchin-Pease approximation there is only a single estimate of the target displacements produced. This calculation is made with the same random numbers as that of the more detailed tables of the "Full Recoils" calculation, so there is a direct correspondence in collisions. In general, Kinchen-Pease estimates more displacements than TRIM with full recoil cascades.
COLLISON.txt - Type "B" Ions and Recoil Atoms (no cascade data)
This variation on COLLISON.txt will be called type "B". This version of COLLISON.txt shows only those collisions which result in a recoiling target atom, i. e. only those collisions in which the ion transfers to the target atom an energy greater than its displacement energy (which was entered in the setup program). Additionally, this datafile contains additional information as noted below:
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This approximation can be chosen in the TRIM Setup window, or in the TRIM Calculation window. When the Collision Details button is chosen in either window, a sub-menu asks whether a new file should include data for Recoil. Select No to generate this type B datafile. Note that you must separately choose Detailed Calculation with Full Damage Cascades or Use Monolayer Collision Steps (menu in the upper right corner in TRIM Setup window) in order to complete the selection of a type B datafile. In the file below, Se (eV/) is the electronic stopping power of the ion in the target at its current energy. This energy is modified by including a straggling component (random variation) in the calculation, so that the actual ion electronic energy loss between specific collisions can not be directly obtained from this number. Because of mathematically required statistical fluctuations, the ion energy may actually increase between collisions (this sounds crazy, but it really is true). Target Displacements, Vacancies, Replacement Collisions, and Interstitial Atoms were described previously in this chapter in the section Physics of Recoil Cascades. They are also described in Chapter 7 - TRIM Theory. These types of damage constitute the changes introduced into the target by each collision. Since data on recoils was not requested for a type B datafile, the final results of each collision cascade are given in four columns of target damage (number of displacements, vacancies, replacement collisions and interstitial atoms).
For correct Display of this file, use Microsoft font Courier New or MS-LineDraw. Linedraw is included in the SRIM software package. See the subdirectory: SRIM/Data/Linedraw.ttf
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NOTES: Only Ion Collisions which produce Displacements are tabulated. Atom Sums and Averages are Incomplete if Recoil Cascades Leave Target. Target DISPlacements = VACancies + REPLACement Collisions. Target VACancies = INTERstitials + Sputtered + Transmitted Atoms. Recoil Atoms which end at the surface, are not counted (see manual).
======================================================================
Ion Energy Depth Numb (keV) (A) ------ ------ ---------Lateral Distance (A) Se Atom Recoil Tgt Tgt Tgt Tgt Y Axis Z Axis (eV/A) Hit Egy(eV) DISP. VAC. REPLAC INTER ---------- ---------- ------- -- ------------------------------
001 9.4E+01 65564.E-03 -587.E-04 7829.E-04 0070.90 W 26922.E-03 <== New Cascade ================================================================================= Recoil Atom Energy(eV) X (A) Y (A) Z (A) Vac Repl Ion Numb 00001= 00001 74 26922.E-03 6556.E-02 -5879.E-04 7829.E-04 1 00 <Prime Recoil 00002 74 00000.E+00 6577.E-02 1880.E-03 1167.E-03 0 01 00003 74 22058.E-03 6577.E-02 1880.E-03 1167.E-03 1 00 ================================================================== Summary of Above Cascade ==> 002 001 001 002 001 18.4E+01 15224.E-02 -7317.E-03 3660.E-03 69.15 W 75609.E-03 == New Cascade ================================================================================= Recoil Atom Energy(eV) X (A) Y (A) Z (A) Vac Repl Ion Numb 00001= 00001 74 75609.E-03 1522.E-01 -7317.E-03 3660.E-03 1 00 <Prime Recoil 00002 74 33842.E-03 1517.E-01 -6850.E-03 -1038.E-03 1 00 00003 74 27773.E-03 1504.E-01 -7967.E-03 -2840.E-03 1 00 00004 74 24541.E-03 1483.E-01 -7860.E-03 -1394.E-03 1 00 00005 74 26789.E-03 1527.E-01 -6710.E-03 1267.E-03 1 00 00006 74 00000.E+00 1530.E-01 -8912.E-03 2419.E-03 0 01 00007 74 23177.E-03 1530.E-01 -8912.E-03 2419.E-03 1 00 ================================================================== Summary of Above Cascade ==> 006 005 001 006 001 17.99E+01 31873.E-02 -2894.E-02 2599.E-02 0068.34 W 33106.E-02 == New Cascade ================================================================================= Recoil Atom Energy(eV) X (A) Y (A) Z (A) Vac Repl Ion Numb 00001= 00001 74 33106.E-02 3187.E-01 -2894.E-02 2599.E-02 1 00 <Prime Recoil 00002 74 41182.E-03 3156.E-01 -2969.E-02 3458.E-02 1 00 00003 74 24907.E-03 3168.E-01 -3053.E-02 3254.E-02 1 00 00004 74 21368.E-03 3166.E-01 -3245.E-02 3414.E-02 1 00 00005 74 51224.E-03 3171.E-01 -3061.E-02 3005.E-02 1 00 00006 74 14846.E-02 3187.E-01 -3019.E-02 2816.E-02 1 00 00007 74 98698.E-03 3187.E-01 -3254.E-02 2904.E-02 1 00 00008 74 73706.E-03 3187.E-01 -3505.E-02 2896.E-02 1 00 00009 74 67029.E-03 3187.E-01 -3289.E-02 3024.E-02 1 00 00010 74 29954.E-03 3186.E-01 -3150.E-02 3232.E-02 1 00 00011 74 00000.E+00 3185.E-01 -3174.E-02 2983.E-02 0 01 00012 74 22731.E-03 3185.E-01 -3174.E-02 2983.E-02 1 00 ================================================================== Summary of Above Cascade ==> 011 010 001 011 001 17.19E+01 39161.E-02 -4127.E-02 2706.E-02 0066.90 W 89507.E-03 == New Cascade
For correct Display of this file, use Microsoft font Courier New or MS-LineDraw. Linedraw is included in the SRIM software package. See the subdirectory: SRIM/Data/Linedraw.ttf
Table 9-20 is quite complicated since it contains all the kinetic information about every ion collision, as well as the data for every recoil collision. One must be careful of using this type of file because strong recoil cascades may involve 10,000+ sub-collisions which can rapidly make the file unmanageable. This approximation can be chosen in the TRIM Setup window, or in the TRIM Calculation window. When the Collision Details button is chosen in either window, a sub-menu asks whether a new file should include data for Recoil. Select Yes to generate this type C datafile. Note that you must separately choose Detailed Calculation with Full Damage Cascades or Use Monolayer Collision Steps (upper right corner in TRIM Setup window) in order to complete the selection of a type C datafile. See the comments for COLLISON.txt, type "B", for details about most of this table. The additional information is for the recoil cascades.
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rather fast, but a quick finger can hit Pause to stop the ion at any instant to see where it is and what size cascade it has made. This display slows down the calculation. To end this display, click on END LIVE DATA , and after the current ion completes its path, the sub-window will close and the calculation will resume normally.
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