| Title
A single sentence description.
|
Second generation EAM potential within the magnetic potential formalism with quintic interpolation v002 |
|---|---|
| Description | Second generation EAM potential within the magnetic potential formalism of Dudarev and Derlet (2005). Quintic spline interpolation is used for the repulsive and pair density terms. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Mark R. Gilbert |
| Maintainer |
Mark R. Gilbert |
| Implementer | Mark R. Gilbert |
| Developer |
Samuele Chiesa Peter Derlet Sergei Dudarev Helena van Swygenhoven |
| Published on KIM | 2018 |
| How to Cite |
This Model Driver originally published in [1] is archived in OpenKIM [2-4]. [1] Chiesa S, Derlet PM, Dudarev SL, Swygenhoven HV. Optimization of the magnetic potential for α-Fe. Journal of Physics: Condensed Matter. 2011;23(20):206001. doi:10.1088/0953-8984/23/20/206001 [2] Gilbert MR, Chiesa S, Derlet P, Dudarev S, Swygenhoven H van. Second generation EAM potential within the magnetic potential formalism with quintic interpolation v002. OpenKIM; 2018. doi:10.25950/ed3ceac9 [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.
| MD_543355979582_002 |
| 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.
| EAM_Magnetic2GQuintic__MD_543355979582_002 |
| DOI |
10.25950/ed3ceac9 https://doi.org/10.25950/ed3ceac9 https://commons.datacite.org/doi.org/10.25950/ed3ceac9 |
| KIM Item Type | Model Driver |
| KIM API Version | 2.0 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Fortran |
| Previous Version | EAM_Magnetic2GQuintic__MD_543355979582_001 |
| EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002 |
| EAM_Magnetic2GQuintic__MD_543355979582_002.txz | Tar+XZ | Linux and OS X archive |
| EAM_Magnetic2GQuintic__MD_543355979582_002.zip | Zip | Windows archive |