Slot: simulation_cell_size
Dimensions of the simulation cell used to model the grain boundary
(e.g. "10×10×30 nm").
URI: coremeta4cat:simulation_cell_size Alias: simulation_cell_size
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| GrainBoundaries | Grain boundary structure and energetics from atomistic simulation. Relevant for understanding polycrystalline catalyst behaviour, sintering, and charge/defect segregation. |
no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:simulation_cell_size |
| native | coremeta4cat:simulation_cell_size |
LinkML Source
name: simulation_cell_size
description: 'Dimensions of the simulation cell used to model the grain boundary
(e.g. "10×10×30 nm").'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:simulation_cell_size
alias: simulation_cell_size
domain_of:
- GrainBoundaries
range: string
multivalued: true