Dislocation-Ontology-Suite

Competency Questions (CQs)

We list a number of CQs that can be used to query the information related to the dislocation structure, the crystal structure information of a dislocation structure, and the dislocation simulation.

A. Crystal Structure and Dislocation Structure CQs.

Suppose we want to focus on a dislocation structure with the following CQs could be used to extract the information regarding details of crystal and dislocation structures:

A1. Which crystal structure has a cubic crystal system? A2. What are the lattice parameters of length given a crystal structure? A3. What are the lattice parameters of angle given a crystal structure? A4. What are the slip systems of a given crystal structure? A5. What are the slip planes of a given crystal structure? A6. Given the space group of a crystal structure, what is the bravais lattice centering? A7. Given the crystal structure, what are the corresponding space and point groups? A8. In which slip plane is a dislocation move on? A9. What is the Burgers vector of the dislocation? A10. What is the Burgers vector magnitude of the dislocation? A11. What is the slip direction given a slip plane (111) of the crystal structure? A12. Given a 3-D vector instance (Burgers vector, vector position, etc.), what are the vector components? A13. What is the vector magnitude given a 3-D vector instance ( Burgers vector, vector position, etc.)? A14. Given a Basis of a vector in 3-D space, what are the first axis basis vector? A15. Given a Basis of a vector in 3-D space, what are the second axis basis vector? A16. Given a 3-D vector instance Burgers vector, what is the unit?

B. Discrete Dislocation Dynamics (DDD) Simulation CQs

B1. What is the material used in the DDD simulation? B2. What are dislocation structures simulated with the MODELIB software? List also the software version and creator associated with those dislocation simulations B3. What dislocation structures have a specimen shape of a cube with an edge length > 30nm? B4. List all DDD simulations that do not activate the cross slip formation and junction formation B5. List all DDD simulations that have initial density of dislocation < 1e17 B6. What are dislocation structures generated by the relaxation calculation? List also the initial density of a dislocation structure used for a relaxation calculation, simulation parameters: cross-slip activation, junction formation activation, and external load activation, and whether the dislocation structure is relaxed.

A1

Which crystal structure that has a cubic crystal system?

PREFIX diso: <https://purls.helmholtz-metadaten.de/disos/diso#>
PREFIX cso: <https://purls.helmholtz-metadaten.de/disos/cso#> 
PREFIX cdo: <https://purls.helmholtz-metadaten.de/disos/cdo#>  

SELECT ?dislocationstructure ?crystalstructure ?crystal_system WHERE{
	?dislocationsimulation diso:hasInputDislocationStructure ?dislocationstructure.
	?dislocationstructure diso:relatesToCrystallineMaterial ?crystallinematerial .  
	?crystallinematerial cdo:hasCrystalStructure ?crystalstructure.
	?crystalstructure a cso:CrystalStructure ; 
	 	 cso:hasLattice ?lattice .
	?lattice cso:hasCrystalSystem ?crystal_system .
	?crystal_system a cso:Cubic .
}