| Title
A single sentence description.
|
Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v000 |
|---|---|
| Description | Compute grain boundary energy relation for a Fe 100 STGB |
| Species
The supported atomic species.
| Fe |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Brandon Runnels |
| Maintainer |
Brandon Runnels |
| Published on KIM | 2019 |
| How to Cite |
There is a newer version of this item. See GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_001 This Test is archived in OpenKIM [1-4]. [1] Runnels B. Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v000 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_175540441720_000 [2] Runnels B. Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v002. OpenKIM; 2019. doi:10.25950/4723cee7 [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 |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_175540441720_000 |
| 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.
| GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_000 |
| Citable Link | https://openkim.org/cite/TE_175540441720_000 |
| KIM Item Type | Test |
| Driver | GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 2.0 |
| Simulator Name
The name of the simulator as defined in kimspec.edn.
This Simulator Name is inhereted from the Test Driver.
| LAMMPS |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
This Test requires a Test Driver. Click below for the Test Driver GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002 archive.