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ElasticConstantsFirstStrainGradient_bcc_Fe__TE_132463034437_000

Title
A single sentence description.
Classical and first strain gradient elastic constants for bcc iron
Description 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_132463034437_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_132463034437_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.
ElasticConstantsFirstStrainGradient_bcc_Fe__TE_132463034437_000
Citable Link https://openkim.org/cite/TE_132463034437_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 431
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 621
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Fe__MO_331285495617_001 view 517
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Fe__MO_984358344196_001 view 586





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ElasticConstantsFirstStrainGradient__TD_361847723785_000.zip Zip Windows archive
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