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Objectivity__VC_813478999433_002

Title
A single sentence description.
Verification check of invariance with respect to rigid-body motion (objectivity) v002
Description Check whether a model is invariant with respect to rigid-body motion (translation and rotation) as required by objectivity (material frame-indifference). This is expected to be true for any model that does not depend on an external field. The check is performed for a randomly distorted non-periodic body-centered cubic (BCC) cube base structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. The energy and forces of each configuration is compared with that of the same configuration rotated about a random axis by an irrational angle and translated in a random direction by an irrational distance. The verification check will pass if the energy of all configurations that the model is able to compute are invariant and the forces are mapped back by the inverse rotation. Configurations used for testing are provided as auxiliary files.
Disclaimer
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None
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Developer Ellad B. Tadmor
Published on KIM 2019
How to Cite

This Verification Check is archived in OpenKIM [1-3].

[1] Tadmor EB. Verification check of invariance with respect to rigid-body motion (objectivity) v002. OpenKIM; 2019. doi:10.25950/7e538eba

[2] 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

[3] 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.
VC_813478999433_002
Extended KIM ID
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Objectivity__VC_813478999433_002
DOI 10.25950/7e538eba
https://doi.org/10.25950/7e538eba
https://commons.datacite.org/doi.org/10.25950/7e538eba
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
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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