Jump to: Models | Files | Wiki

ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000

Title
A single sentence description.
Classical and first strain gradient elastic constants for bcc iron
Description A numerical computation of the isothermal classical and first strain gradient elastic constants for single crystal bcc iron at 0 K and zero stress, with crystallographic axes oriented along the global axes
Species
The supported atomic species.
Fe
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Nikhil Chandra Admal
Maintainer Nikhil Chandra Admal
Published on KIM 2016
How to Cite

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

[1] Admal NC. Classical and first strain gradient elastic constants for bcc iron [Internet]. OpenKIM; 2016. Available from: https://openkim.org/cite/TE_177609823376_000

[2] Admal NC. Classical and first strain gradient elastic constants for simple lattices [Internet]. OpenKIM; 2016. Available from: https://openkim.org/cite/TD_361847723785_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

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_177609823376_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.
ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000
Citable Link https://openkim.org/cite/TE_177609823376_000
KIM Item TypeTest
DriverElasticConstantsFirstStrainGradient__TD_361847723785_000
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.2
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
none
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


LennardJones612__MD_414112407348_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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 538
Pair_Morse_Shifted__MD_552566534109_001
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_Fe__MO_147603128437_001 view 793
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Fe__MO_984358344196_001 view 793
Tersoff_LAMMPS__MD_077075034781_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)
Tersoff_LAMMPS_Mueller_Erhart_Albe_Fe__MO_137964310702_001 view 431
model_driver_PF_cubic_splines__MD_620624592962_001
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)
model_Fe_PF_DudarevDerlet__MO_135034229282_001 view 483
model_Fe_PF_mendelev__MO_856295952425_001 view 759
model_driver_PF_quintic_splines__MD_543355979582_001
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)
model_Fe_PF_chiesa_quinticsplines__MO_140444321607_001 view 483
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)
Pair_Johnson_Fe__MO_857282754307_002 view 414





This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsFirstStrainGradient__TD_361847723785_000 appear below.


ElasticConstantsFirstStrainGradient__TD_361847723785_000.txz Tar+XZ Linux and OS X archive
ElasticConstantsFirstStrainGradient__TD_361847723785_000.zip Zip Windows archive
Wiki is ready to accept new content.

Login to edit Wiki content