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Crystallographic point defects

https://en.wikipedia.org/wiki/Crystallographic_defect

Crystalline solids exhibit a periodic crystal structure. The positions of atoms or molecules occur on repeating fixed distances, determined by the unit cell parameters. However, the arrangement of atoms or molecules in most crystalline materials is not perfect. The regular patterns are interrupted by crystallographic defects.

Point defects are defects that occur
only at or around a single lattice point


crystal-lattice

crystal lattice (RHEED), instrument.com.cn

diamond-crystal-lattice

diamond crystal lattice (RHEED), instrument.com.cn


vacancy

vacancy point defect


vac

vacancy point defect in 3d, created via BLC Blender addon


defect

substitutional larger atom, point defect


large

substitutional larger atom, point defect in 3d, created via BLC Blender addon


seed

atom

vac

diamond seed from a diamond grinding wheel, point defects in 3d, created via BLC Blender addon


point defects video, created via BLC Blender addon

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Crystallographic defects

https://en.wikipedia.org/wiki/Crystallographic_defect

Crystalline solids exhibit a periodic crystal structure. The positions of atoms or molecules occur on repeating fixed distances, determined by the unit cell parameters. However, the arrangement of atoms or molecules in most crystalline materials is not perfect. The regular patterns are interrupted by crystallographic defects.

Three-dimensional macroscopic or bulk defects,
such as pores, cracks, inclusions


cracks

high-magnification optical micrograph showing intergranular cracks with characteristic
manganese sulfide and oxide inclusions in the crack path of a section
across the radial cracks in the heat-treated part
Hydrogen Embrittlement Cracking in a Batch of Steel Forgings


defect

cracks and inclusions bulk defects in 3d, created via BLC Blender addon


inclusions-1

inclusions-2

the diamond seed from a diamond grinding wheel in 3d (10000000:1cm), bulk defect – inclusions, created via BLC Blender addon


disk

diamond grinding wheel


the diamond seed from a diamond grinding wheel video, created via BLC Blender addon


lamellar

atomic steps planar defect post-effect


steps

atomic steps, planar defect, microscopy-analysis.com


lamellar-defect

steps between atomically flat terraces, planar defect in 3d, created via BLC Blender addon


lamellar

steps between atomically flat terraces, planar defect in 3d, created via BLC Blender addon


voids

voids, bulk defects


void

flat void and octahedron void, bulk defects in 3d, created via BLC Blender addon

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Bravais Lattices Creator

Blender addon: Bravais Lattices Creator (BLC)

This research is being done under financial support of the Government of Russian Federation (Ministry of Education and Science) in the limit of the complex project № 927.

This work is devoted to creation of static atomic model of two surfaces in contact at electric diamond grinding: single-points diamond and material grinded of them. At the heart of the work there are issues of computer visualization of these surfaces at the molecular level, since traditional mathematical description does not possess sufficient visualization to demonstrate some aspects of the atomic tribology of metal cutting to simultaneously occurring the different, by their physical nature, processes. And in the electric diamond grinding blends effect of several processes simultaneously: mechanical, electrical and electrochemical. So the modeling technique proposed by authors is still the only way to see what is happening at the atomic level, cutting material of single-point diamond.

https://en.wikipedia.org/wiki/Diamond_grinding

The BLC:

BLC is an addon for Blender that can create a Bravais lattice from particles system.

BLC can create a Bravais lattice any size (0.1 – 20 nm) and any forms.
For the time being the BLC can create next lattices: C, Fe, V, Mo, VC, FeCr (two surfaces in contact at electric diamond grinding almost always consist of these molecules, in the future will be more molecules).

Minimum object comprises a logical state of the atoms in the lattice is called the crystallite.
Crystallites can also be rotated relative to one another at different angles.
The crystal lattice created by the BLC – a set of regular atomic coordinates in three-dimensional space, so it makes sense to call it a model of crystallite.

https://en.wikipedia.org/wiki/Crystallite
defect

defect in the lattice, two crystallites

crystallite

crystallite BLC created (1728 atoms)

int

the BLC interface

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