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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000
Description Compute grain boundary energy relation for a Ni 112 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 112 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_893686795562_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_fcc112_Ni__TE_893686795562_000
Citable Link https://openkim.org/cite/TE_893686795562_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 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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 18599086
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EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 24121030
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 23115932
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EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 23838966
EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 view 19196298
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 39673712
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000 view 32664627
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 17876522
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 18003816
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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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EMT_Asap__MD_128315414717_004
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_Ni__MO_700541006254_000 view 74557527
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MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000 view 74783135
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000 view 108375857
MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_000 view 77105780
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000 view 88039743
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 view 130524674
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_000 view 103380910
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 view 122671933
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_000 view 35260463
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_000 view 112814238
MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_000 view 77426724
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 78252239
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000 view 123841674
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000 view 134656168
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_000 view 82492210
MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000 view 18858696
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_000 view 79336721
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000 view 68499546
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000 view 74359969
Morse_Shifted__MD_552566534109_004
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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004 view 131005305
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004 view 35101460
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004 view 71353509
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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)
SNAP_LiHuChen_2018_Ni__MO_913991514986_000 view 715950130
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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)
Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000 view 19916168
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Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000 view 63409320
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 101507320
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 98827446
Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000 view 15219393





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