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DislocationCoreEnergyCubic_fcc_Pd_0p50p50_1m12__TE_030290376387_000

Title
A single sentence description.
Dislocation core energy for fcc Pd computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000
Description This Test computes the dislocation core energy of a fcc Pd crystal at zero temperature and pressure with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] for a specific set of dislocation core cutoff radii using the non-singular, isotropic and anisotropic elasticity formulations. See the DislocationCoreEnergyCubic test driver for more details.
Species
The supported atomic species.
Pd
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Yichen Qian
Maintainer Brendon Waters
Developer Yichen Qian
Yaser Afshar
Daniel S. Karls
Nicolas Bertin
Vasily V Bulatov
Ellad B. Tadmor
David Cereceda
Brendon Waters
Published on KIM 2023
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Qian Y, Afshar Y, Karls DS, Bertin N, Bulatov VV, Tadmor EB, et al. Dislocation core energy for fcc Pd computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000 [Internet]. OpenKIM; 2023. Available from: https://openkim.org/cite/TE_030290376387_000

[2] Qian Y, Afshar Y, Karls DS, Bertin N, Cereceda D, Tadmor EB, et al. Dislocation core energy for cubic crystals at a set of dislocation core cutoff radii v002. OpenKIM; 2023. doi:10.25950/ebecf626

[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.
TE_030290376387_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.
DislocationCoreEnergyCubic_fcc_Pd_0p50p50_1m12__TE_030290376387_000
Citable Link https://openkim.org/cite/TE_030290376387_000
KIM Item TypeTest
DriverDislocationCoreEnergyCubic__TD_452950666597_002
Properties
Properties as defined in kimspec.edn.
KIM API Version2.3.0
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


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This Test requires a Test Driver. Archives for the Test Driver DislocationCoreEnergyCubic__TD_452950666597_002 appear below.


DislocationCoreEnergyCubic__TD_452950666597_002.txz Tar+XZ Linux and OS X archive
DislocationCoreEnergyCubic__TD_452950666597_002.zip Zip Windows archive
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