[Gate-users] Defining New Materials

[Samuel BURG]

Hello,

well, obviously I don't have molecular mass for A, B and C, so I've assumed all was identical ( A=B=C=X g/mol ) to write an example for you.

in the same way if I use real molecular mass for the NaITl, and not Na=I=Tl, the material NaI(Tl)1% will be :

[Elements]
Sodium:     S= Na  ; Z= 11. ; A=  22.99  g/mole
Iodine:        S= I   ; Z= 53. ; A= 126.90  g/mole
Thallium:   S= Tl  ; Z= 81. ; A= 204.37  g/mole

[Materials]
NaI: d=3.67 g/cm3; n=2;  state=solid
    +el: name=Sodium ; n=1
      +el: name=Iodine ; n=1

NaITl: d=3.67 g/cm3; n=3;  state=solid
    +el: name=Sodium ; f=0.152
      +el: name=Iodine ; f=0.838
      +el: name=Thallium ; f=0.010

good luck,


Best regards,

Samuel BURG



k z <ksz589 at yahoo.co.uk> a écrit : Many thanks Samule, but how did you get it without knowing molecular mass for A, B and C?
   
  Thanks for elo and concern in advance.

Samuel BURG <samuel_burg at yahoo.fr> wrote:
  well, I think that you should use this syntax :

  ABC: d= 4.5 g/cm3 ; n=3 ; state=solid
          +el: name=A;    f=xxx
        +el: name=B;    f=xxx
        +el: name=C;    f=xxx

or 

  ABC: d= 4.5 g/cm3 ; n=3 ; state=solid
          +el: name=A;    n=xxx
        +el: name=B;    n=xxx
        +el: name=C;    n=xxx

but don't mix "f" and "n" descriptor.

I've succefully defined NaI(Tl1 %) like this :

NaITl: d=3.67 g/cm3; n=3;  state=solid
    +el: name=Sodium ; f=0.495
      +el: name=Iodine ; f=0.495
      +el: name=Thallium ; f=0.01

so for you, try :

  ABC: d= 4.5 g/cm3 ; n=3 ; state=solid
          +el: name=A;    f=0.18
        +el: name=B;    f=0.72
        +el: name=C;    f=0.10

Regards,

Samuel

k z <ksz589 at yahoo.co.uk> a écrit :    Hi Gaters,
   
  I am tying to define new materials AB3C:(10%). Firstly I defined A, B, and C as element then I defined new material as:
   
  ABC: d= 4.5 g/cm3 ; n=3 ; state=solid
          +el: name=A;    n=1
        +el: name=B;    n=4
        +el: name=C;    f=0.1
   
  When I run it I received this error:
   
  This material is being already defined via element byatoms.
  You are mixing apples and oranges..
   
  Can you help please?
   
  Best wishes.
   
  
 
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