implementing a nanoparticle

[kirstynvalles02]

Greetings!

I am attempting to implement a nanoparticle in a specific spot of my simulation, however i am unsure of how to actually implement one into an imput file. any help would be greatly appreciated!

[aeriforme]

Hello!

If you want to initialize a nanometric sphere in your simulation, you can add a particle species with:

<species_name>.profile = parse_density_function
<species_name>.density_function(x,y,z) =  n0 * ( ((x-x0)*(x-x0) + (y-y0)*(y-y0) + (z-z0)*(z-z0)) < R**2)

This would add particles in your simulation according to density_function, meaning that n0 would be the number density of that species inside the sphere, x0,y0,z0 the center and R the radius of the sphere.

This example could be of help.

Otherwise, if what you want is to initialize a single macro particle in a given location, you can use <species_name>.injection_style = SingleParticle. In this case, you can check out this other example

You can find more details about particle initialization here.

Let me know if this answers your question! :)

[kirstynvalles02]

youre honestly amazing! thank you so much!!

may i keep this chat open in case i have further questions??

[aeriforme]

I transformed the issue into a discussion, which is more appropriate for questions and...discussions

[kirstynvalles02]

hello!

quick question-- would i need a different parameter to declare it as a gold nanoparticle?

[aeriforme]

For each species, either its type or its charge and mass must be defined.
The easiest would be: <species_name>.species_type = "gold".
Note this:

When only the name of an element is specified, the mass is a weighted average of the masses of the stable isotopes.

You can look all this up here.

[kirstynvalles02]

apologies i could not access this thread a while back, however i did try and run it but i keep getting dimension errors. I will attach the input file and a copy of the error below:
############################################
sim4nanoinput.txt
############################################

[aeriforme]

Those are warnings, not errors.
However, they suggest that your species are actually empty.

Please note that when I mentioned <species_name>,
I was using a placeholder for the actual species names that you want to use (in this case ele and ion).