Jump to: Files | Wiki

GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v001
Description Computes grain boundary energy for a range of tilt angles given a crystal structure, tilt axis, and material.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor brunnels
Maintainer brunnels
Creator Brandon Runnels
Publication Year 2019
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TD_410381120771_001
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__TD_410381120771_001
DOI 10.25950/3346a5ce
https://doi.org/10.25950/3346a5ce
https://search.datacite.org/works/10.25950/3346a5ce
KIM Item TypeTest Driver
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
LAMMPS
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_000


Wiki

Wiki is ready to accept new content.

Login to edit Wiki content