| Title
A single sentence description.
|
Stacking and twinning fault energies of an fcc lattice at zero temperature and pressure v002 |
|---|---|
| Description | Intrinsic and extrinsic stacking fault energies, unstable stacking fault energy, unstable twinning energy, stacking fault energy as a function of fractional displacement, and gamma surface for a monoatomic FCC lattice at zero temperature and pressure. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
Computes all properties at zero temperature. |
| Contributor |
Subrahmanyam Pattamatta |
| Maintainer |
I Nikiforov |
| Developer | Subrahmanyam Pattamatta |
| Published on KIM | 2019 |
| How to Cite |
This Test Driver originally published in [1] is archived in OpenKIM [2-4]. [1] Bernstein N, Tadmor EB. Tight-binding calculations of stacking energies and twinnability in fcc metals. Physical Review B. 69(9):094116. doi:10.1103/PhysRevB.69.094116 [2] Pattamatta S. Stacking and twinning fault energies of an fcc lattice at zero temperature and pressure v002. OpenKIM; 2019. doi:10.25950/b4cfaf9a [3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6 [4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a Click here to download the above citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TD_228501831190_002 |
| Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
| StackingFaultFccCrystal__TD_228501831190_002 |
| DOI |
10.25950/b4cfaf9a https://doi.org/10.25950/b4cfaf9a https://commons.datacite.org/doi.org/10.25950/b4cfaf9a |
| KIM Item Type | Test Driver |
| Properties
Properties as defined in kimspec.edn.
|
|
| KIM API Version | 2.3 |
| Simulator Name
The name of the simulator as defined in kimspec.edn.
| LAMMPS |
| Previous Version | StackingFaultFccCrystal__TD_228501831190_001 |
| StackingFaultFccCrystal__TD_228501831190_002.txz | Tar+XZ | Linux and OS X archive |
| StackingFaultFccCrystal__TD_228501831190_002.zip | Zip | Windows archive |