Planar Defect Ontology (PLDO)

Cross-reference for Planar Defect Ontology (PLDO) classes, object properties and data properties back to ToC

This section provides details for each class and property defined by Planar Defect Ontology (PLDO).

Classes

Antiphase Boundary
Calculated Property
Computational Sample
Energy
Extrinsic Stacking Fault
Extrinsic Stacking Fault Energy
Gamma-Surface
Generalized Stacking Fault Energy
Grain Boundary
Grain Boundary Energy
I1 Stacking Fault Energy
I2 Stacking Fault Energy
Intrinsic Stacking Fault
Low Angle Grain Boundary
Mixed Grain Boundary
Planar Defect
Stacking Fault
Stacking Fault Energy
Surface
Surface Energy
Symmetrical Tilt Grain Boundary
Tilt Grain Boundary
Twin Boundary
Twin-like Stacking Fault
Twist Grain Boundary
Work of Separation

Antiphase Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/AntiphaseBoundary

An antiphase boundary is a planar defect that occurs in ordered alloys. The boundary separates two domains of the same ordered phase.

has super-classes: Planar Defect ^c

Calculated Property^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/CalculatedProperty

A calculated property is a property of a material resulting from a calculation or simulation.

has sub-classes: Gamma-Surface ^c, Grain Boundary Energy ^c, Stacking Fault Energy ^c, Surface Energy ^c, Work of Separation ^c

Computational Sample^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/ComputationalSample

A computational sample is a representative system of a material for analysis through computational methods in the context of materials science.

is in domain of: has grain boundary energy ^op, has stacking fault energy ^op, has surface energy ^op

Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/Energy

Energy is a physical quantity characterizing the ability of a system to do work.

Source: https://doi.org/10.1351/goldbook.E02101

has super-classes: physical quantity ^c
has sub-classes: Gamma-Surface ^c, Grain Boundary Energy ^c, Stacking Fault Energy ^c, Surface Energy ^c, Work of Separation ^c

Extrinsic Stacking Fault^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/ExtrinsicStackingFault

An extrinsic stacking fault is a stacking fault produced by the change in sequence resulting from the introduction of an extra layer.

has super-classes: Stacking Fault ^c

Extrinsic Stacking Fault Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/ExtrinsicStackingFaultEnergy

has super-classes: Stacking Fault Energy ^c

Gamma-Surface^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/Gamma-Surface

The gamma-surface is the excess interlayer energy, γ, as a function of an imposed rigid-body translation, t, parallel to the interface.

Source: https://doi.org/10.1080/14786436808227500

has super-classes: Calculated Property ^c, Energy ^c

Generalized Stacking Fault Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/GeneralizedStackingFaultEnergy

The generalized stacking fault (GSF) energy is a measure of the energy penalty between two adjacent planes during shear deformation in a specific slip direction on a given slip plane, representing the nature of slip and involving the stable and unstable stacking and twin fault energies.

Source: https://doi.org/10.1016/j.actamat.2013.12.019

has super-classes: Stacking Fault Energy ^c

Grain Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/GrainBoundary

A grain boundary is a planar defect that separates two crystals (or grains) of the same material.

has super-classes: Planar Defect ^c
has sub-classes: Low Angle Grain Boundary ^c, Mixed Grain Boundary ^c, Tilt Grain Boundary ^c, Twist Grain Boundary ^c
is in domain of: geometrical degrees of freedom ^dp, has GB plane ^dp, has grain boundary energy ^op, has misorientation angle ^dp, has rotation axis ^dp, has sigma value ^dp, macroscopic degrees of freedom ^dp, microscopic degrees of freedom ^dp

Grain Boundary Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/GrainBoundaryEnergy

Grain boundary energy is the excess energy due to the presence of a grain boundary, with the perfect lattice (bulk) as the reference.

Usually expressed in units of energy per area.

has super-classes: Calculated Property ^c, Energy ^c
is in range of: has grain boundary energy ^op

I1 Stacking Fault Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/I1StackingFaultEnergy

The I1 stacking fault, or growth fault, is a type of intrinsic stacking fault in hcp systems due to the removal of a plane above the B plane, and then shearing of the remaining planes above the B plane by the displacement 1/3[-1-100].

Source: https://doi.org/10.1103/PhysRevB.56.10844

has super-classes: Stacking Fault Energy ^c

I2 Stacking Fault Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/I2StackingFaultEnergy

The I2 stacking fault, or deformation fault, is a type of intrinsic stacking fault in hcp systems due to directly shearing the hcp lattice by the displacement 1/3[-1-100].

Source: https://doi.org/10.1103/PhysRevB.56.10844

has super-classes: Stacking Fault Energy ^c

Intrinsic Stacking Fault^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/IntrinsicStackingFault

An intrinsic stacking fault is a stacking fault produced by the change in sequence resulting from the removal of an extra layer.

has super-classes: Stacking Fault ^c

Low Angle Grain Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/LowAngleGrainBoundary

A low angle grain boundary is a grain boundary with a misorientation angle lower than 15 degrees.

Source: ISBN 978-94-007-4968-9

has super-classes: Grain Boundary ^c

Mixed Grain Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/MixedGrainBoundary

A mixed grain boundary is a grain boundary where the [uvw] rotation axis has perpendicular and parallel components with respect to the boundary plane.

Source: ISBN 978-94-007-4968-9

has super-classes: Grain Boundary ^c
is in domain of: has tilt component ^op, has twist component ^op

Planar Defect^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/PlanarDefect

A planar defect is a defect of the crystal structure across a plane. It is considered to be a two-dimensional defect, such as an internal interface or the surface.

has sub-classes: Antiphase Boundary ^c, Grain Boundary ^c, Stacking Fault ^c, Surface ^c, Twin Boundary ^c

Stacking Fault^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/StackingFault

A stacking fault is a planar defect created by an error (fault) in the order of the sequential layering of crystallographic planes.

has super-classes: Planar Defect ^c
has sub-classes: Extrinsic Stacking Fault ^c, Intrinsic Stacking Fault ^c, Twin-like Stacking Fault ^c
is in domain of: has SF plane ^dp, has displacement vector ^dp, has stacking fault energy ^op, has stacking sequence ^dp

Stacking Fault Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/StackingFaultEnergy

Stacking fault energy is the excess energy due to the presence of a stacking fault, with the perfect lattice (bulk) as the reference.

Usually expressed in units of energy per area.

has super-classes: Calculated Property ^c, Energy ^c
has sub-classes: Extrinsic Stacking Fault Energy ^c, Generalized Stacking Fault Energy ^c, I1 Stacking Fault Energy ^c, I2 Stacking Fault Energy ^c
is in range of: has stacking fault energy ^op

Surface^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/Surface

The free surface (or external surface) of the material is a planar defect where the surface atoms have no neighbors or cohesive bonds on the external side.

has super-classes: Planar Defect ^c
is in domain of: has surface energy ^op

Surface Energy^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/SurfaceEnergy

has super-classes: Calculated Property ^c, Energy ^c
is in range of: has surface energy ^op

Symmetrical Tilt Grain Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/SymmetricalTiltGrainBoundary

A symmetrical tilt grain boundary is a tilt grain boundary where the two grains are symmetric. The boundary plane has the same Miller indices in crystals I and II: {hkl}_1 = {hkl}_2.

Source: ISBN 978-94-007-4968-9

has super-classes: Tilt Grain Boundary ^c

Tilt Grain Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/TiltGrainBoundary

A tilt boundary is a grain boundary with a [uvw] rotation axis perpendicular to the boundary plane.

Source: ISBN 978-94-007-4968-9

has super-classes: Grain Boundary ^c
has sub-classes: Symmetrical Tilt Grain Boundary ^c
is in range of: has tilt component ^op

Twin Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/TwinBoundary

A twin boundary is a planar defect that occurs between two separate crystals which are mirror images of each other. Both crystals have the same crystal structure.

has super-classes: Planar Defect ^c

Twin-like Stacking Fault^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/Twin-likeStackingFault

A twin-like stacking fault is a type of stacking fault that possesses mirror symmetry about the fault plane.

has super-classes: Stacking Fault ^c

Twist Grain Boundary^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/TwistGrainBoundary

A twist boundary is a grain boundary with a [uvw] rotation axis contained within the boundary plane.

Source: ISBN 978-94-007-4968-9

has super-classes: Grain Boundary ^c
is in range of: has twist component ^op

Work of Separation^c back to ToC or Class ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/WorkOfSeparation

has super-classes: Calculated Property ^c, Energy ^c

has grain boundary energy^op back to ToC or Object Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasGrainBoundaryEnergy

The relation between a grain boundary and the corresponding energy.

has domain: Computational Sample ^c; Grain Boundary ^c
has range: Grain Boundary Energy ^c

has stacking fault energy^op back to ToC or Object Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasStackingFaultEnergy

The relation between a stacking fault and the corresponding energy.

has domain: Computational Sample ^c; Stacking Fault ^c
has range: Stacking Fault Energy ^c

has surface energy^op back to ToC or Object Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasSurfaceEnergy

The relation between a surface structure and the corresponding energy.

has domain: Computational Sample ^c; Surface ^c
has range: Surface Energy ^c

has tilt component^op back to ToC or Object Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasTiltComponent

The relation between a mixed grain boundary and the tilt grain boundary component.

has domain: Mixed Grain Boundary ^c
has range: Tilt Grain Boundary ^c

has twist component^op back to ToC or Object Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasTwistComponent

The relation between a mixed grain boundary and the twist grain boundary component.

has domain: Mixed Grain Boundary ^c
has range: Twist Grain Boundary ^c

Data Properties

geometrical degrees of freedom
has displacement vector
has GB plane
has misorientation angle
has rotation axis
has SF plane
has sigma value
has stacking sequence
macroscopic degrees of freedom
microscopic degrees of freedom

geometrical degrees of freedom^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/geometricalDegreesOfFreedom

The geometrical degrees of freedom are the parameters that are necessary to characterize a grain boundary.

has sub-properties: macroscopic degrees of freedom ^dp, microscopic degrees of freedom ^dp
has domain: Grain Boundary ^c

has displacement vector^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasDisplacementVector

A data property indicating the displacement vector associated with the stacking fault.

has super-properties: has SF plane ^dp
has domain: Stacking Fault ^c
has range: string

has GB plane^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasGBplane

A data property indicating the grain boundary (GB) plane using Miller indices.

has super-properties: macroscopic degrees of freedom ^dp
has domain: Grain Boundary ^c
has range: string

has misorientation angle^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasMisorientationAngle

A data property indicating the misorientation angle (θ) of the grains with respect to each other.

A disorientation angle can also be used to describe the grain boundary and is defined by the minimum misorientation angle when the misorientation axis is found in the standard stereographic triangle.

Source: https://doi.org/10.1016/j.actamat.2022.118006

has super-properties: macroscopic degrees of freedom ^dp
has domain: Grain Boundary ^c
has range: float

has rotation axis^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasRotationAxis

A data property indicating the rotation axis [uvw].

has super-properties: macroscopic degrees of freedom ^dp
has domain: Grain Boundary ^c
has range: string

has SF plane^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasSFplane

A data property indicating the stacking fault (SF) plane using Miller indices.

The SF plane defines the crystallographic plane along which a stacking fault occurs, disrupting the ideal stacking sequence of the crystal structure.

has sub-properties: has displacement vector ^dp
has domain: Stacking Fault ^c
has range: string

has sigma value^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasSigmaValue

A data property linking a GB with its sigma value.

Sigma value of a GB is the coincidence index, calculated as the ratio of the coincidence unit cell volume by the crystal primitive unit cell volume. The coincidence index refers to the Coincidence Site Lattice (CSL).

has domain: Grain Boundary ^c
has range: integer

has stacking sequence^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/hasStackingSequence

A data property indicating the stacking sequence in a crystal structure. For the ideal hcp structure, this sequence is •••ABABAB••• and for fcc •••ABCABC•••.

has domain: Stacking Fault ^c
has range: string

macroscopic degrees of freedom^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/macroscopicDegreesOfFreedom

There are five macroscopic degrees of freedom (DOFs) that are sufficient to describe the thermodynamic description of the grain boundary.

In simulations of grain boundaries, the macroscopic DOFs are imposed on the structure.

has super-properties: geometrical degrees of freedom ^dp
has sub-properties: has GB plane ^dp, has misorientation angle ^dp, has rotation axis ^dp
has domain: Grain Boundary ^c

microscopic degrees of freedom^dp back to ToC or Data Property ToC

IRI: http://purls.helmholtz-metadaten.de/cdos/pldo/microscopicDegreesOfFreedom

The microscopic degrees of freedom (DOFs) refer to the translation of one crystal with respect to the other at the microscopic scale. The microscopic parameters result from the relaxation process and are not independent of the macroscopic parameters.

In simulations of grain boundaries, the microscopic DOFs are obtained after the grain boundary energy minimization.

has super-properties: geometrical degrees of freedom ^dp
has domain: Grain Boundary ^c

Legend back to ToC

^c: Classes
^op: Object Properties
^dp: Data Properties

Planar Defect Ontology (PLDO)