| Title
A single sentence description.
|
Modified embedded atom method (MEAM) Model Driver v001 |
|---|---|
| Description | The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.) |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Content Origin | The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function. LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org |
| Contributor |
Yaser Afshar |
| Maintainer |
Yaser Afshar |
| Implementer |
Yaser Afshar Sebastian Hütter Robert E. Rudd Alexander Stukowski William W. Tipton Dallas R. Trinkle Gregory J. Wagner Pinchao Zhang |
| Developer |
Eduardo Alonso Michael I. Baskes Vasily V Bulatov Tomas Diaz de la Rubia Jeongnim Kim Joel D. Kress Byeong-Joo Lee Thomas Lenosky J. S. Nelson B. Sadigh Arthur F. Voter A. F. Wright |
| Published on KIM | 2021 |
| How to Cite |
There is a newer version of this item. See MEAM_LAMMPS__MD_249792265679_002 This Model Driver originally published in [1-4] is archived in OpenKIM [5-7]. [1] Baskes MI, Nelson JS, Wright AF. Semiempirical modified embedded-atom potentials for silicon and germanium. Phys Rev B. 1989;40:6085–100. doi:10.1103/PhysRevB.40.6085 [2] Baskes MI. Modified embedded-atom potentials for cubic materials and impurities. Phys Rev B. 1992;46:2727–42. doi:10.1103/PhysRevB.46.2727 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information. [3] Lee BJ, Baskes MI. Second nearest-neighbor modified embedded-atom-method potential. Phys Rev B. 2000;62:8564–7. doi:10.1103/PhysRevB.62.8564 [4] Lenosky TJ, Sadigh B, Alonso E, Bulatov VV, Rubia TD de la, Kim J, et al. Highly optimized empirical potential model of silicon. Model Simul Mat Sci Eng. 2000;8:825–41. doi:10.1088/0965-0393/8/6/305 [5] Afshar Y, Hütter S, Rudd RE, Stukowski A, Tipton WW, Trinkle DR, et al. Modified embedded atom method (MEAM) Model Driver v001. OpenKIM; 2021. doi:10.25950/773efb8e [6] 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 [7] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| MD_249792265679_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.
| MEAM_LAMMPS__MD_249792265679_001 |
| DOI |
10.25950/773efb8e https://doi.org/10.25950/773efb8e https://commons.datacite.org/doi.org/10.25950/773efb8e |
| KIM Item Type | Model Driver |
| KIM API Version | 2.2 |
| Simulator Potential Compatibility |
LAMMPS : meam — full
LAMMPS : meam/spline — full
LAMMPS : meam/sw/spline — full
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| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 98.38% C++ 1.62% Shell |
| Previous Version | MEAM_LAMMPS__MD_249792265679_000 |