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update: add island tutroial wip #288

Merged
merged 12 commits into from
Oct 24, 2024
Merged

update: add island tutroial wip #288

merged 12 commits into from
Oct 24, 2024

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VsevolodX
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@VsevolodX VsevolodX marked this pull request as ready for review October 23, 2024 02:35

Next, edit `create_island_defect.ipynb` notebook to modify the parameters by adding a list of [defect configuration objects](https://github.com/Exabyte-io/made/blob/3d938b4d91a31323dca7a02acb12b646dbb26634/src/py/mat3ra/made/tools/build/defect/configuration.py#L191) containing the cartesian coordinates of the island vertices.

The expected island is 4.5x4.5 unit cells (9x9 atoms), for that on the supercell 10x10 (20x20 atoms) we need to choose coordinates to be 0.45 crystal units apart along lattice a and lattice b, and to make them in the center: [0.0, 0.0] and [0.45, 0.45].
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Coordinates should have inline code styling


Find `create_island_defect.ipynb` in the list of notebooks and click/double-click open it.

### 3.3. Open and modify the notebook
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Coordinates-related section should have its number

@@ -0,0 +1,185 @@
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@timurbazhirov timurbazhirov Oct 24, 2024

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Remove the png for the resulting material since we have gif already

mkdocs.yml Outdated
@@ -219,6 +219,7 @@ nav:

- Specific:
- Substitutional Point Defects in Graphene: tutorials/materials/specific/defect-creation-point-substitution-graphene.md
- Island Surface Defect Formation: tutorials/materials/specific/defect-creation-surface-island.md
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Island Surface Defect Formation in TiN

defect-creation-surface-island-titanum-nitride.md

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Ok. Thought about the same.

@VsevolodX VsevolodX merged commit cbdc1fa into master Oct 24, 2024
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@VsevolodX VsevolodX deleted the feature/SOF-7472 branch October 24, 2024 03:55
pranabdas pushed a commit that referenced this pull request Oct 31, 2024
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2 participants