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SRIMテーブルとTRIMシミュレーションをコマンドラインから実行する

Last updated at Posted at 2024-11-06

SRIMテーブル

  1. $SRIM/SR\ Module/ディレクトリに移動する
  2. 入力ファイルはSR.IN
    ---Stopping/Range Input Data (Number-format: Period = Decimal Point)
    ---Output File Name
    "../SRIM Outputs/Xenon in  K-Al-Si- O- H.dat"
    ---Ion(Z), Ion Mass(u)
    54   131.904
    ---Target Data: (Solid=0,Gas=1), Density(g/cm3), Compound Corr.
    0    2.83    1
    ---Number of Target Elements
     5 
    ---Target Elements: (Z), Target name, Stoich, Target Mass(u)
    19   "Potassium"             1             39.098
    13   "Aluminum"              3             26.982
    14   "Silicon"               3             28.086
    8   "Oxygen"                 12            15.999
    1   "Hydrogen"               2             1.008
    ---Output Stopping Units (1-8)
     2
    ---Ion Energy : E-Min(keV), E-Max(keV)
     10    10000
    
    Output Stopping Units (1-8)の指定は以下の通り:
    (1) - eV / Angstrom
    (2) - keV / micron
    (3) - MeV / mm
    (4) - keV / (ug/cm2)
    (5) - MeV / (mg/cm2) = keV / (ug/cm2)
    (6) - keV / (mg/cm2) = eV / (ug/cm2) = MeV / (g/cm2)
    (7) - eV / (1E15 atoms/cm2)
    (8) - L.S.S. reduced units
    
  3. 実行方法は、コマンドプロンプトから
    ./SRModule.exe
  4. 出力ファイルはSR.INOutput File Nameで指定したもの

TRIMシミュレーション

  1. $SRIM/ディレクトリに移動する
  2. インプットファイルはTRIM.IN
    ==> SRIM-2013.00 This file controls TRIM Calculations.
    Ion: Z1 ,  M1,  Energy (keV), Angle,Number,Bragg Corr,AutoSave Number.
         8  15.995         10       0     1        1        1
    Cascades(1=No;2=Full;3=Sputt;4-5=Ions;6-7=Neutrons), Random Number Seed, Reminders
                          2                                   1       0
    Diskfiles (0=no,1=yes): Ranges, Backscatt, Transmit, Sputtered, Collisions(1=Ion;2=Ion+Recoils), Special EXYZ.txt file
                              0       0           0       0               2                              0
    Target material : Number of Elements & Layers
    "O (10) into Muscovite                   "       5               1
    PlotType (0-5); Plot Depths: Xmin, Xmax(Ang.) [=0 0 for Viewing Full Target]
           1                         0             500
    Target Elements:    Z   Mass(amu)
    Atom 1 = K =        19  39.098
    Atom 2 = Al =       13  26.982
    Atom 3 = Si =       14  28.086
    Atom 4 = O =         8  15.999
    Atom 5 = H =         1   1.008
    Layer   Layer Name /               Width Density     K(19)  Al(13)  Si(14)    O(8)    H(1)
    Numb.   Description                (Ang) (g/cm3)    Stoich  Stoich  Stoich  Stoich  Stoich
     1      "Muscovite"           10000  2.82 .047619 .142857 .142857 .571429 .095238
    Target layer phases (0=Solid, 1=Gas)
    0 
    Target Compound Corrections (Bragg)
     1  
    Individual target atom displacement energies (eV)
          25      25      15      28      10
    Individual target atom lattice binding energies (eV)
           3       3       2       3       3
    Individual target atom surface binding energies (eV)
         .93    3.36     4.7       2       2
    Stopping Power Version (1=2011, 0=2011)
     0 
    
    3行目のM1は、同位体の質量(amu単位)
  3. TRIMAUTOというファイルの1行目を1にしてから実行する
    ./TRIM.exe
  4. 出力ファイルはSRIM Outputs(デフォルト)に出力される。例えば
    SRIM\ Outputs/COLLISON.txt
    このファイルの
    ====== TRIM Calc.=  O(10 keV) ==> Muscovite(  1 um) ==========================
    
    という行はTRIM.INの次の部分を参照している
    Ion: Z1 ,  M1,  Energy (keV)
    Layer   Layer Name /               Width
    
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