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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000
Description Compute grain boundary energy relation for a Ni 110 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 110 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_980409230161_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_fcc110_Ni__TE_980409230161_000
Citable Link https://openkim.org/cite/TE_980409230161_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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Measured in Millions of Whetstone Instructions (MWI)
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EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 11146431
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EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 11869590
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 11384946
EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 view 8501427
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 17882130
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000 view 15927420
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 8133550
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 8314982
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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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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)
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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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MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_000 view 34306191
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000 view 42633209
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 view 61224568
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 46862345
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 view 63782550
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000 view 12991608
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000 view 56713690
MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_000 view 34920218
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 34444961
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000 view 64441086
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000 view 66586548
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_000 view 46473705
MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000 view 10255306
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_000 view 35464212
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000 view 33714403
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000 view 35937036
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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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004 view 70686357
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Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004 view 41491855
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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)
SNAP_LiHuChen_2018_Ni__MO_913991514986_000 view 376335983
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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 8441649
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Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000 view 26763277
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 45110156
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 45686064
Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000 view 7451809





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