| Title
A single sentence description.
|
Linear thermal expansion coefficient of fcc Ni at room temperature under zero pressure |
|---|---|
| Description | This Test uses LAMMPS to compute the linear thermal expansion coefficient of fcc lattice Ni atoms at room temperature under zero pressure. |
| Species
The supported atomic species.
| Ni |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Mingjian Wen |
| Maintainer |
Mingjian Wen |
| Published on KIM | 2015 |
| How to Cite |
There is a newer version of this item. See LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 This Test is archived in OpenKIM [1-4]. [1] Wen M. Linear thermal expansion coefficient of fcc Ni at room temperature under zero pressure [Internet]. OpenKIM; 2015. Available from: https://openkim.org/cite/TE_127978642829_000 [2] Wen M. Linear thermal expansion coefficient of a cubic crystal structure at a given temperature and pressure v000 [Internet]. OpenKIM; 2016. Available from: https://openkim.org/cite/TD_522633393614_000 [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 |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_127978642829_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.
| LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_000 |
| Citable Link | https://openkim.org/cite/TE_127978642829_000 |
| KIM Item Type | Test |
| Driver | LinearThermalExpansionCoeffCubic__TD_522633393614_000 |
| Properties
Properties as defined in kimspec.edn.
These properties are inhereted from the Test Driver.
| |
| KIM API Version | 1.9.0 |
| Simulator Name
The name of the simulator as defined in kimspec.edn.
This Simulator Name is inhereted from the Test Driver.
| LAMMPS |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
| Model | Test Results | Link to Test Results page | Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.
Measured in Millions of Whetstone Instructions (MWI) |
|---|---|---|---|
| LennardJones612_UniversalShifted__MO_959249795837_002 | view | 13978550 |
| Model | Test Results | Link to Test Results page | Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.
Measured in Millions of Whetstone Instructions (MWI) |
|---|---|---|---|
| Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Ni__MO_381861218831_001 | view | 262591695 | |
| Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ni__MO_322509103239_001 | view | 50017188 | |
| Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ni__MO_758825945924_001 | view | 126531967 |
| Model | Error Categories | Link to Error page |
|---|---|---|
| EAM_CubicNaturalSpline_Angelo_Moody_Ni__MO_800536961967_001 | other | view |
This Test requires a Test Driver. Click below for the Test Driver LinearThermalExpansionCoeffCubic__TD_522633393614_000 archive.