Jump to: Models | Files | Wiki

LinearThermalExpansionCoeff_fcc_Ca__TE_389870929270_002

Title
A single sentence description.
Linear thermal expansion coefficient of fcc Ca at 293.15 K under a pressure of 0 MPa v002
Description Linear thermal expansion coefficient of a fcc lattice of Ca atoms at a temperature of 293.15 K under a pressure of 0 MPa.
Species
The supported atomic species.
Ca
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
Developer Mingjian Wen
Brendon Waters
Published on KIM 2024
How to Cite

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

[1] Wen M, Waters B. Linear thermal expansion coefficient of fcc Ca at 293.15 K under a pressure of 0 MPa v002 [Internet]. OpenKIM; 2024. Available from: https://openkim.org/cite/TE_389870929270_002

[2] Wen M, Waters B. Linear thermal expansion coefficient of cubic crystal structures v002. OpenKIM; 2024. doi:10.25950/9d9822ec

[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_389870929270_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.
LinearThermalExpansionCoeff_fcc_Ca__TE_389870929270_002
Citable Link https://openkim.org/cite/TE_389870929270_002
KIM Item TypeTest
DriverLinearThermalExpansionCoeffCubic__TD_522633393614_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.3.0
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
Previous Version LinearThermalExpansionCoeff_fcc_Ca__TE_389870929270_001


EAM_IMD__MD_113599595631_003
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)
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003 view 598547
LJ__MD_414112407348_003
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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 1078733
MEAM_LAMMPS__MD_249792265679_002
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)
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002 view 1791326
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002 view 7271149
Morse_Shifted__MD_552566534109_004
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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004 view 2036189
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004 view 1034442
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004 view 1326938
No Driver
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)
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 view 11643966


  • No Errors associated with this Test




This Test requires a Test Driver. Archives for the Test Driver LinearThermalExpansionCoeffCubic__TD_522633393614_002 appear below.


LinearThermalExpansionCoeffCubic__TD_522633393614_002.txz Tar+XZ Linux and OS X archive
LinearThermalExpansionCoeffCubic__TD_522633393614_002.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content