| Property Definition (short name)
A common way to refer to the Property Definition. Note there may be multiple Property Definitions with the same short name, to fully distinguish between Property Definitions the full Tag URI must be used (the Property Definition ID).
| unstable-stacking-fault-relaxed-energy-fcc-crystal-npt |
|---|---|
| Property Definition ID
The full Property Definition identifier using the Tag URI scheme.
| tag:staff@noreply.openkim.org,2015-05-26:property/unstable-stacking-fault-relaxed-energy-fcc-crystal-npt |
| Title
A brief one-sentence description of this Property Definition.
| Relaxed unstable stacking energy for a monoatomic fcc crystal at zero temperature and a given pressure |
| Description
A description about this Property Definition.
| The relaxed unstable stacking energy (USE) for a monoatomic fcc crystal at zero temperature and a specified pressure. The USE corresponds to the energy barrier for rigidly slipping one-half of an infinite crystal relative to the other along a <112> direction (fcc partial dislocation direction). Relaxation of the atomic positions is performed perpendicular to the fault plane. |
| Contributor
The user or organization who initially contributed this Property Definition.
| SubrahmanyamPattamatta |
| Maintainer
The user or organization who currently maintains this Property Definition.
| SubrahmanyamPattamatta |
| Creation date
The date the Property Definition was "minted", based on its Tag URI.
| 2015-05-26 |
| Content on GitHub
The following content may be available on GitHub: Property Definition (an EDN file containing the Property Definition Keys listed below); Physics Validator (a script provided by the user for validating that an instance of the Property is physically valid); Property Documentation Wiki (the contents of the Wiki displayed at the bottom of this page).
|
Property Definition Physics Validator Property Documentation Wiki |
| type | float |
|---|---|
| has-unit | true |
| extent | [] |
| required | true |
| description | Zero-temperature, equilibrium conventional lattice constant of the fcc crystal consistent with the specified pressure. |
| type | float |
|---|---|
| has-unit | true |
| extent | [6] |
| required | true |
| description | The [xx,yy,zz,yz,xz,xy] (i.e. [11,22,33,23,13,12]) components of the Cauchy stress acting on the crystal. The orthonormal basis used to express the stress should be aligned with the cubic 4-fold axes of the ideal crystal and the expected form of the stress tensor should be [d d d 0 0 0], where d > 0 indicates tensile stress. |
| type | string |
|---|---|
| has-unit | false |
| extent | [":"] |
| required | true |
| description | The element symbol of the fcc crystal material. This should contain only a single entry. |
| type | float |
|---|---|
| has-unit | true |
| extent | [] |
| required | true |
| description | Relaxed unstable stacking energy in units of energy per area. |
| type | float |
|---|---|
| has-unit | false |
| extent | [] |
| required | false |
| description | The relative displacement in the 1/6<112> direction between the two crystal parts where the energy is maximum. The slip is normalized by the partial dislocation Burgers vector a0/sqrt(6). Therefore 'unstable-slip-fraction' must be between 0.0 and 1.0. |