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Hello everybody,
is there a better starting point for 3D-modeling in chemistry than modeling
atoms? So, this is the topic for my new youtube-video
(https://www.youtube.com/watch?v=BfG_aMN3F-U). But how can you model something
that cannot be seen?
Comments are welcome as always.
Post a reply to this message
Attachments:
Download 'titel.png' (145 KB)
Preview of image 'titel.png'
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Le 2024-03-01 à 18:27, Thomas Fester a écrit :
> Hello everybody,
>
> is there a better starting point for 3D-modeling in chemistry than modeling
> atoms? So, this is the topic for my new youtube-video
> (https://www.youtube.com/watch?v=BfG_aMN3F-U). But how can you model something
> that cannot be seen?
>
> Comments are welcome as always.
Another way to model atoms : Media. The density of the media depends on
the probability of finding electrons.
Post a reply to this message
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Alain Martel <kua### [at] videotron ca> wrote:
> > Hello everybody,
> >
> > is there a better starting point for 3D-modeling in chemistry than modeling
> > atoms? So, this is the topic for my new youtube-video
> > (https://www.youtube.com/watch?v=BfG_aMN3F-U). But how can you model something
> > that cannot be seen?
> >
> > Comments are welcome as always.
>
> Another way to model atoms : Media. The density of the media depends on
> the probability of finding electrons.
Can you define gradients for media? So far I only know how to do uniform
material.
Post a reply to this message
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On 03.03.2024 1:52, Thomas Fester wrote:
> Can you define gradients for media? So far I only know how to do uniform
> material.
Simply add wave function calculation.
Sorry, couldn't resist.
Ilyich
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"Thomas Fester" <tfe### [at] scivitde> wrote:
> Can you define gradients for media? So far I only know how to do uniform
> material.
Yes. Media is controlled by any pattern or function just like pigments,
normals, etc.
https://www.f-lohmueller.de/pov_tut/interior/interior_000e.htm
#version 3.8;
#include "colors.inc"
#include "shapes.inc"
global_settings {
assumed_gamma 0.4
}
sky_sphere {pigment {rgb 1}}
camera {
location <0, 0, -35>
look_at <0, -1, 0>
}
box {
<-20, -5, -5>, <20, 5, 5>
pigment {rgbt 1}
hollow
interior {
media {
emission <1, 0.2, -0.6> * 0.9
scattering {1, <1, 1, 1> extinction 2.0}
density {gradient x
color_map {
[0.0 rgb 0.0]
[0.5 rgb 0.1]
[1.0 rgb 1.0]
} // end color_map
} // end of density
} // end of media ----
} // end of interior
}
Then you can just use spherical harmonics functions to simulate the orbital
shapes, like I mentioned in an earlier post.
- BW
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Le 2024-03-02 à 17:52, Thomas Fester a écrit :
> Alain Martel <kua### [at] videotronca> wrote:
>> Le 2024-03-01 à 18:27, Thomas Fester a écrit :
>>> Hello everybody,
>>>
>>> is there a better starting point for 3D-modeling in chemistry than modeling
>>> atoms? So, this is the topic for my new youtube-video
>>> (https://www.youtube.com/watch?v=BfG_aMN3F-U). But how can you model something
>>> that cannot be seen?
>>>
>>> Comments are welcome as always.
>>
>> Another way to model atoms : Media. The density of the media depends on
>> the probability of finding electrons.
>
> Can you define gradients for media? So far I only know how to do uniform
> material.
>
>
>
Just add a «density{...}» statement in the definition of the media.
Then, in the density block, just add some pattern.
Post a reply to this message
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"Bald Eagle" <cre### [at] netscapenet> wrote:
> Then you can just ...
And of course this relates to the challenges I've experienced with trying to
make patterns with parametric equations in 2D. Now we're in 3D, and I'm not
sure how to translate the parametric equations for x, y, and z that I was using
for spherical harmonics to a form suitable for defining the density of media.
However I _AM_ happy that I made the effort to convert those equations, because
I've now probably found why my 4th set of orbital equations wasn't working. (And
i have no idea what the source for those was).
Maybe Tor Olav Kristensen (TOK) has some advice on how best to approach using
parametric or isosurface (implicit) equations for media or pigment patterns.
Until then, you might want to just use an isosurface or parametric and either
plot many small spheres with a loop, or use a transparent texture to simulate
the electron cloud.
- BW
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