Flake Growth — Guide14. June 2020
The program starts with a single gold atom.
Intentionally add atoms to the fcc lattice using the keys:
W (layer up) and
X (layer down).
Highlight the last atom with
Reset the crystal via
Add a layer via
Of course, via
A some atoms can be added to the layer, too.
Show all surface vacancies by pressing
Show the instrument overlay via
Hide all surface vacancies that are in contact with only one gold atom (coordination number 1) via
Hide surface vacancies with coordination number 2 via
Hide surface vacancies with coordination number 3 via
F3. Now only surface vacancies with coordination numbers 4-7 are left (8 & 9 are not occupied).
Randomly add one atom by pressing
Randomly add another atom by pressing
and yet another atom by pressing
Now, randomly add ten atoms by pressing
hundred atoms by pressing
thousand atoms by pressing
and 10,000 atoms by pressing
Zooming out is possible via the mouse wheel.
All vacancies can be shown again by pressing
A simplified (and much faster) representation can be activated by switching off the gold atoms via
G and enabling the hexagon approximation by pressing
Now, after randomly adding one million atoms via
7 one can still quickly navigate the scene.
You can add/remove the substrate by pressing arrow down
The stacking faults can be removed by pressing arrow up
↑. When resetting the crystal via
: and regrowing it à la
4 one obtains a completely different geometric shape.
Stacking faults can be added to the current upper or lowermost layer via
PgDn, respectively. The depicted shape can more or less (it is still random) achieved via
Obtaining a proper flake with two stacking faults can be achieved by: resetting the atoms and stacking faults :
↑, growing a seed
3, adding the stacking faults
PgDn, resetting the atoms
: and grow a large number
To visualize the different layers
V is your friend.
And by pressing
P you can cycle through the different probability lists and watch how they influence the growth.
If you want to obtain a high aspect ratio you should not use p1.
Space gives you an overview over all available actions.
That’s basically it. Have fun!