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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000
Description Compute grain boundary energy relation for a Ni 100 STGB
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 Brandon Runnels
Maintainer Brandon Runnels
Published on KIM 2019
How to Cite

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

[1] Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000. OpenKIM; 2019.

[2] Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v002. OpenKIM; 2019. doi:10.25950/4723cee7

[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_457754988992_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.
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000
Citable Link https://openkim.org/cite/TE_457754988992_000
KIM Item TypeTest
DriverGrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
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


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Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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 muliplied 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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 2865818
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EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000 view 1955869
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 view 1983064
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 view 4226501
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EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 3873422
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 3792340
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 4128667
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 3922297
EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 view 2876470
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 6111762
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000 view 5188467
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 2645599
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 2626927
EAM_IMD__MD_113599595631_003
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 15238755
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EMT_Asap__MD_128315414717_004
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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)
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 8084988
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001 view 4970880
MEAM_LAMMPS__MD_249792265679_000
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_Ni__MO_700541006254_000 view 12635095
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MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000 view 11365754
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000 view 20172325
MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_000 view 11933061
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000 view 16426596
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 view 20550350
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 16703189
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 view 23281219
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000 view 5955190
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000 view 19920308
MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_000 view 11695385
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 11661648
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000 view 20569051
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000 view 24219571
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_000 view 17490640
MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000 view 3337694
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_000 view 12265061
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000 view 12572485
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000 view 12390880
Morse_Shifted__MD_552566534109_004
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_Ni__MO_381861218831_004 view 17907050
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004 view 5251763
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004 view 10438472
SNAP__MD_536750310735_000
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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)
SNAP_LiHuChen_2018_Ni__MO_913991514986_000 view 83076852
SNAP_LiHuChen_2018_NiMo__MO_468686727341_000 view 126157169
SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000 view 269218972
No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied 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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000 view 2844795
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_000 view 9595909
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000 view 9020126
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 13792343
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 14044330
Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000 view 2357927





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