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GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_000

Title
A single sentence description.
Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v000
Description Compute grain boundary energy relation for a Cu 100 STGB
Species
The supported atomic species.
Cu
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 Cu 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_529988253259_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_Cu__TE_529988253259_000
Citable Link https://openkim.org/cite/TE_529988253259_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


EAM_Dynamo__MD_120291908751_005
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_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005 view 1538272
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 1404963
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 1403897
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 view 1821965
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 2528425
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 5543311
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 3579359
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 11309816
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 1837066
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 1818487
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 view 2702757
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 2717502
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 2319015
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 3048472
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 3017204
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 5516116
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 5526549
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000 view 6435388
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 2507152
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 3597499
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 3381510
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 2991514
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 2700677
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 3426656
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 8234527
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 3357636
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 2690464
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 3341157
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_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001 view 8284655
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 8538271
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 6095627
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 4860317
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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_000 view 18560938
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_000 view 6922034
MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_000 view 11576389
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000 view 19631774
MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_000 view 10077839
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_000 view 12660303
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_000 view 5634340
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_000 view 6482631
MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000 view 6521549
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000 view 19181157
MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_000 view 3421468
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_000 view 12646214
MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_000 view 6016725
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000 view 21136200
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000 view 12723354
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_Cu__MO_151002396060_004 view 17800312
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004 view 5286063
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004 view 9275065
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_Cu__MO_529419924683_000 view 85537479
SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000 view 281495476
SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 view 84731358
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)
EAM_Mendelev_2019_CuZr__MO_945018740343_000 view 12720091
EAM_NN_Johnson_1988_Cu__MO_887933271505_002 view 999145
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 4614846
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 4340928
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 59263139
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 67033668
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 71448848
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 5191381
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 8337477
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 13994171
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 2375441





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