DAT files can be designed in notepad

The TRIM package provides a nice graphic user interface for configuring your sample and irradiation conditions.  Does that prove inadequate in some way?

Yes, when studying neutrons or electrons, you only have to TRIM.DAT 

Hello Collins,

Please explain "Yes, when studying neutrons or electrons, you only have to TRIM.DAT" since that is not a complete sentence.

Since you mention neutrons and electrons,

http://www.srim.org/SRIM/SRIMINTRO.htm

"SRIM is a group of programs which calculate the stopping and range of ions (up to 2 GeV/amu) into matter ... TRIM [stands for] (the Transport of Ions in Matter)".  The "I" in TRIM and SRIM stands for ions; it is not designed for neutral particles.  Despite that, if you can provide the neutral particle interaction, TRIM can calculate the cascade for you.

Since I know how to use Google, here is information from TRIM documentation:

from http://www.srim.org/SRIM/SRIM%2008.pdf

In the documentation on TRIM setup, in the section on Types of TRIM Calculation (Menu in upper-right corner):

"Neutron / Electron / Photon Cascades - This option is used to calculate only the damage cascades in a target. It uses as input the file TRIM.DAT which contains the kinetic information about atoms which start recoil cascades. The file TRIM.DAT is generated by some other program which calculates the energy transferred to target atoms by either neutrons, electrons or photons. Then TRIM takes this external information and calculates the damage done to the target from recoil cascades. This is explained in the special TRIM application section "Radiation Damage from Neutrons / Electrons / Photons" . If you select this option, you will get a sub-menu which requests which kind of damage calculation you wish to make."

There is also specialized documentation at

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=4&ved=0ahUKEwjPoaKJrrjUAhWM7YMKHbTKBVYQFgg3MAM&url=http%3A%2F%2Fwww.srim.org%2FSRIM%2FTutorials%2FSRIM%2520Special%2520-%2520Using%2520TRIM%2520DAT%2520for%2520TRIM%2520Control.doc&usg=AFQjCNGY0jJwKUqDh8AMlg3yDpE7A0EaNg&sig2=2Dj13we0m2OeTq9KBT3qDA&cad=rja

which covers "Special Applications of TRIM  ... Calculating radiation damage from Neutrons/Electrons/Photons  (page 3)".  Here are pages 3-4:

---start quoted documentation:

Radiation Damage from Neutrons/Electrons/Photons

TRIM can be used to calculate the recoil cascades in solids caused by neutrons, electrons or photons (which we will call NEP particles). These cases are treated identically, with TRIM evaluating only the cascade damage without any incident particle damage.

One must first obtain another computer program for the transport of NEP particles through matter. Widely used codes are the "Integrated TIGER Series", (ITS code) for electrons and photons, or the "Monte Carlo Neutron Program" (MCNP code) for neutrons in matter. Both are available from the Radiation Shielding Information Center, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN, 37831-6362, USA, telephone: (01)-615-5746176, Fax: (01)-615-574-6182, Internet: [email protected]. The separate NEP transport programs are used to calculate where collisions are made in the target, and give the position, and recoil statistics for each collision atom. Then TRIM can be used to calculate the full target recoil cascade which occurs from each NEP collision atom.

A file called TRIM.DAT must be prepared by the user which specifies the parameters of each cascade. An example of TRIM.DAT is shown in Table 2 and included on the original TRIM disk as /SRIM Tools/TRIM2.DAT. TRIM calculates the cascades with an "invisible" incident particle. TRIM.DAT specifies each recoil atom and calculates its cascade.

The top of file TRIM.DAT contains 10 lines of comments, which are not used in the TRIM calculation. (Ignore the special fonts used in the Table for emphasis; the data file on the disk is in simple ASCII format.) One of the data lines, as noted in the sample file, will be included as an identifying comment in the file COLLISON.TXT which tabulates the statistics of each collision (This is the line: “Recoils from 1670000 eV electrons in SiO2(1200 Å)+ GaAs(10000 Å)”). The numerical data at the bottom of the file may be written in several different formats, such as 12345, 12.345E3, 0.12345E5, etc., but periods must be used for decimal points (no commas!).

Table 2 - TRIM.DAT -  Sample File for Collision Cascades

TRIM.DAT  :  TRIM recoil cascade data file

Data Format:   Top 10 lines are user comments, with line #8 describing experiment.

Data Format:   Line #8 will be written into all TRIM output files ( various files:  *.TXT).

Data Format:   Data Table line consist of: EventName(5 char.) + 9 numbers separated by spaces.

Data Format:   The Event Name consists of any 5 characters to identify that line.

Typical Data File is shown below, with a variety of numerical formats, all acceptable.

Note that cos(X) = 1 for normal incidence, and cos(X) = -1 for back towards the target surface.

Recoils from 1670000 eV electrons in SiO2(1200A)+GaAs(10000A)

Event        Atom   Energy   Depth        Lateral-Position       ------------ Atom Direction ------------

Name        Numb      (eV)      _X_(Å)_    _Y_(Å)_ _Z_(Å)_    Cos(X)          Cos(Y)          Cos(Z)

  A-1         8        59.2        322            24          12.34        0.99998       .000012       -.000017

  C-3         33      1259.      10.02E3     432        12.3E2      -0.23258       -.543453       .443483

  AA-1      8        98764     522            -24.3       -12             0.99998       .000012       -.000017

  123C       14      1.56E4    2222          -33          -69             0.62344       -.295513       .003415

  9875       33      7.31E4    3322          -82.9       154           0.34234       -.336437       -.017437

  asd          6        0.98E5    0.882E2     -206        588           0.03754       .032936       -.334616

Table 2 shows the data for several recoils using various formats to show how to specify numbers. The numbers must be separated by spaces or commas. The first column is a five character ID which will be displayed on the screen while that recoil is active. Columns 2-3 show the recoiling atom atomic number and energy (eV). Column 4 indicates the depth (Å) in the target where the recoil atom starts- this is the x-axis coordinate. The depth must be a positive number. Columns 5-6 are the initial lateral position of the atom (Å). The initial trajectory of the recoiling atom is specified by its directional cosines, columns 7-9, with the x-axis corresponding to depth into the target. For a recoil trajectory normal to the target surface, the three directional cosines would be: cos(X)=1, cos(Y)=0, cos (Z)=0. Note that cos(X) is positive when the ion is going into the target, and negative when moving towards the target surface. The TRIM.DAT file may be up to 99999 lines long. If any illegal input values are discovered, an error message is displayed on the screen and that input line is skipped.

The sample input data file shown in Table 2 and in the SRIM directory, /SRIM Tools/TRIM2.DAT, is for 1.67 MeV electrons into a target of SiO2 (1200 Å) on GaAs (10000 Å). If you wish to try TRIM using the sample data file, follow these steps:

Copy the file TRIM2.DAT into the main SRIM directory. Rename it TRIM.DAT.

Start SRIM. Go to TRIM.

·      In the upper right of the TRIM Setup window is a pull-down menu called: Type of TRIM Calculation, DAMAGE. Select item (7), “Damage cascades from Neutrons, etc. (full cascades) using TRIM.DAT”.

·      You will use the default values of Ion Type and Mass, since this data is not used. However, the ion Energy is important. Look at your input file (Table 2) and find the highest energy (71,300 eV). Round this up to 100 keV, and enter it as the ion energy. No recoils will have an energy greater than this.

·      In the Target Data window, use the Periodic Table, PT, to specify a target atom of Si.

·      Press Add New Element to Layer. Use the Periodic Table, PT, to specify a target atom of O. For this entry, change the Atom Stoich. from 1 to 2 (the compound is SiO2).

·      On the left side, change the Target Width to 1200 Å

·      Specify target Layer Name as SiO2 and the Density as 2.32.

·      Press Add New Layer. Specify that the layer name is: GaAs

·      In the Target Data window, use the Periodic Table, PT, to specify a target atom of Ga.

·      Press Add New Element to Layer. Use the Periodic Table, PT, to specify a target atom of As.

·      On the left side, check that the Target Width is 10000 Å (default).

·      Specify the Density as 5.32.

·      Finally, at the bottom of the window, check the box under Output Disk Files: Collision Details. This will produce a large file with all the details of each cascade.

Check your input data. You should have: ION DATA: Ion Type (any), Atomic Number (any), Mass (any), Energy (100 keV). TARGET DATA: Layer #1 = SiO2 (1000A, ρ = 2.32 g/cm3) with Stoich of Si=1, O=2. Layer #2 = GaAs (10000A, 5.32 g/cm3) with Stoich of Ga = 1, As = 1.

·      When done, press Save Input & Run TRIM.

·      A window will pop-up confirming that you want to run using TRIM.DAT. Click on OK.

TRIM will load and start executing. The calculation will go VERY FAST since there are only a 6 recoil events specified in TRIM.DAT (see Table 2). During the cascade calculation, on the screen you will see small isolated pockets of damage, with no intermediate ion tracks. The TRIM damage plots may be accessed normally at any time. The cascade results will be stored in COLLISON.TXT. You may interrupt the calculation at any time, and continue it later (TRIM will start where it left off).

When you run your own calculation, be sure that the ion that you has an energy larger than any recoil in your TRIM.DAT, and that the target is thick enough to include all the ions and recoils. Also, the numbers in TRIM.DAT must follow the convention of using a period for a decimal place. No commas!

---end quoted documentation

See the original document for much better formatting.  Of particular importance is the paragraph I have made bold, above.  Note also that the TRIM installation files include example TRIM.DAT files, which can be used as examples; these should be edited by any plain text editor, such as Notepad (not Wordpad or Word!).

Does that point you to all you need to know?  If not, ask ahead!

http://www.srim.org/SRIM/SRIM%2008.pdf

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=4&ved=0ahUKEwjPoaKJrrjUAhWM7YMKHbTKBVYQFgg3MAM&url=http%3A%2F%2Fwww.srim.org%2FSRIM%2FTutorials%2FSRIM%2520Special%2520-%2520Using%2520TRIM%2520DAT%2520for%2520TRIM%2520Control.doc&usg=AFQjCNGY0jJwKUqDh8AMlg3yDpE7A0EaNg&sig2=2Dj13we0m2OeTq9KBT3qDA&cad=rja

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=4&ved=0ahUKEwjPoaKJrrjUAhWM7YMKHbTKBVYQFgg3MAM&url=http%3A%2F%2Fwww.srim.org%2FSRIM%2FTutorials%2FSRIM%2520Special%2520-%2520Using%2520TRIM%2520DAT%2520for%2520TRIM%2520Control.doc

I have this but still can't work on mine. How did they get the energy, and depth at that energy?

f77Eform[x_?NumericQ, fw_Integer, ndig_Integer] :=

Module[{sig, s, p, ps}, {s, p} = MantissaExponent[x];

{sig, ps} = {ToString[Round[10^ndig Abs[s]]], ToString[Abs[p]]};

StringJoin @@

Join[Table[" ", {fw - ndig - 7}],

If[x < 0, "-", " "], {"0."}, {sig},

Table["0", {ndig - StringLength[sig]}], {"E"},

If[p < 0, {"-"}, {"+"}],

Table["0", {2 - StringLength[ps]}], {ps}]]

SetDirectory["D:\\srim-2013"]

auto = Import["TRIM0.DAT", "Text"];

str = OpenWrite["TRIM.DAT"];

(* Установить начальные значения в файл TRIM.DAT *)

WriteString[str, auto ~~ "\n"];

atom = " " ~~ " 1 " ~~ " ";

name = "aaa ";

depth = 0;

d2y = 10;

energy0 = 290;

nHist = 10000;

Do[\[Theta] = RandomReal[{0, Pi/100.}, {1, 1}][[1]][[1]];

fi = RandomReal[{0, 2 Pi}, {1, 1}][[1]][[1]];

cosx = Cos[\[Theta]]; cosy = Sin[\[Theta]] Cos[fi];

cosz = Sin[\[Theta]] Sin[fi];

{y, z} = RandomReal[{-d2y, d2y}, {1, 2}][[1]];

energy =

1000. RandomVariate[NormalDistribution[energy0, 5.0], 1][[1]];

WriteString[str, name, atom, f77Eform[energy, 12, 5], " ",

f77Eform[depth, 12, 5], " ", f77Eform[y, 12, 5], " ",

f77Eform[z, 11, 5], " ", f77Eform[cosx, 11, 5], " ",

f77Eform[cosy, 11, 5], " ", f77Eform[cosz, 11, 5], "\n" ]; Null,

{iE, 1, nHist}];

Close[str];

This is a Math script to generate any trim.dat

Below is a script in Math, insert it into math and run it by selecting the necessary parameters for your task

(* МОДУЛЬ ДЛЯ ВЫВОДА *)

f77Eform[x_?NumericQ, fw_Integer, ndig_Integer] :=

Module[{sig, s, p, ps}, {s, p} = MantissaExponent[x];

{sig, ps} = {ToString[Round[10^ndig Abs[s]]], ToString[Abs[p]]};

StringJoin @@

Join[Table[" ", {fw - ndig - 7}],

If[x < 0, "-", " "], {"0."}, {sig},

Table["0", {ndig - StringLength[sig]}], {"E"},

If[p < 0, {"-"}, {"+"}], Table["0", {2 - StringLength[ps]}], {ps}]]

SetDirectory["D:\\srim-2013"]

auto = Import["TRIM0.DAT", "Text"];

str = OpenWrite["TRIM.DAT"];

(* Установить начальные значения в файл TRIM.DAT *)

WriteString[str, auto ~~ "\n"];

atom = " " ~~ " 1 " ~~ " ";

name = "aaa ";

depth = 10;

d2y = 10;

energy0 = 290; (* KeV*)

nHist = 10000;

Do[\[Theta] = RandomReal[{0, Pi/100.}, {1, 1}][[1]][[1]];

fi = RandomReal[{0, 2 Pi}, {1, 1}][[1]][[1]];

cosx = Cos[\[Theta]]; cosy = Sin[\[Theta]] Cos[fi];

cosz = Sin[\[Theta]] Sin[fi];

atom = RandomChoice[{0.3, 0.7} -> {" " ~~ " 1 " ~~ " " ,

" " ~~ " 6 " ~~ " "}, 1][[1]];

If[ToExpression[atom] == 1, name = "ppp", name = "ccc"];

{y, z} = RandomReal[{-d2y, d2y}, {1, 2}][[1]];

energy =

1000. RandomVariate[NormalDistribution[energy0, 5.0], 1][[1]];

WriteString[str, name, atom, f77Eform[energy, 12, 5], " ",

f77Eform[depth, 12, 5], " ", f77Eform[y, 12, 5], " ",

f77Eform[z, 11, 5], " ", f77Eform[cosx, 11, 5], " ",

f77Eform[cosy, 11, 5], " ", f77Eform[cosz, 11, 5], "\n" ]; Null,

{iE, 1, nHist}];

Close[str];

Dear  colleagues, I am sending two files, the TRIM0 file,  put in the directory where thе srim-2013  is located, place the script anywhere, but set the working directory in it too. If you have Math, run the script

Hello Arkady,

I am grateful for the information, will go through and revert

Thanks

I can only repeat my advice from a previous post :

Dear  colleagues, I am sending two files, the TRIM0 file,  put in the directory where thе srim-2013  is located, and Mathematica Wolfram script. Place the script anywhere, but set the working directory in it too. If you have Math, run the script

Dear colleagues, earlier I suggested a script in the Mathematician-Wolfram language to generate trim.dat when the original flux is the flux of ions of a given energy spectrum. I can offer the same script, but the primary flux is neutrons and trim.dat contains records of parameters of recoil nuclei generated by neutrons. The information for this script is taken from the ptrac-file obtained with MCNP.

Ptrac option in input file of MCNP should be :

Ptrac file = asc event = col, scr max = 60000 write all type = n

Arkady Khrutchinsky Thank you very much. But do you have any Ptrac files, to begin with? And can't I use the initial script and TRIM0 to simulate neutron damage?