[Gate-users] Defining New Materials

[D.J. van der Laan]

Hi Karine,

You either have to specify the elements by fractions or bij numbers. If
you want to specify the material AB4:(10%C), where 10% of the A atoms is
replaced by C atoms you can use either

ABC: d= 4.5 g/cm3 ; n=3 ; state=solid
        +el: name=A;    n=9
        +el: name=B;    n=40
        +el: name=C;    n=1

or

ABC: d= 4.5 g/cm3 ; n=3 ; state=solid
        +el: name=A;    f=0.18
        +el: name=B;    f=0.80
        +el: name=C;    f=0.02

Regards,

Jan



k z wrote:
> 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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-- 
D.J. van der Laan
Delft University of Technology
Mekelweg 15, room 2.00.020
2629 JB Delft
The Netherlands

E: d.j.vanderlaan at tudelft.nl
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