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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001
Description Compute grain boundary energy relation for a Fe 110 STGB
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 Brandon Runnels
Maintainer Brandon Runnels
Developer Brandon Runnels
Daniel S. Karls
Brendon Waters
Published on KIM 2022
How to Cite

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

[1] Runnels B, Karls DS, Waters B. Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001 [Internet]. OpenKIM; 2022. Available from: https://openkim.org/cite/TE_729107030375_001

[2] Runnels B, Karls DS, Waters B. Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v003. OpenKIM; 2022. doi:10.25950/2c59c9d6

[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_729107030375_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.
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001
Citable Link https://openkim.org/cite/TE_729107030375_001
KIM Item TypeTest
DriverGrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.2
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 GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_000


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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)
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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_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001 view 302501639
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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)
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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)
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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)
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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)
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EAM_Dynamo__MD_120291908751_005

LJ__MD_414112407348_003
Model Error Categories Link to Error page
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 other view

MEAM_LAMMPS__MD_249792265679_001
Model Error Categories Link to Error page
MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_001 other view

MEAM_LAMMPS__MD_249792265679_002
Model Error Categories Link to Error page
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002 other view
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 other view
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 other view
MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_002 other view
MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_002 other view
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 other view
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002 other view
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002 other view
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002 other view
MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002 other view
MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_002 other view
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002 other view
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_001 other view
MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_002 other view
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002 other view
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_001 other view
MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_002 other view
MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002 other view
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002 other view
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_002 other view




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