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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.
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 Subrahmanyam Pattamatta
Publication Year 2019
Item Citation

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] 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
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Extended KIM ID
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DOI 10.25950/b4cfaf9a
KIM Item TypeTest Driver
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
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 StackingFaultFccCrystal__TD_228501831190_001


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