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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 Click here to download this 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


EAM_CubicNaturalSpline__MD_853402641673_002
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)
EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_003 view 5399001
EAM_Dynamo__MD_120291908751_005
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)
EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005 view 3910078
EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000 view 4268838
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 view 6336743
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 8584326
EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 view 18888369
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000 view 14159086
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 view 8084707
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 10097252
EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 view 9893356
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000 view 22376208
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 view 29378126
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 view 28398804
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 view 28260376
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 37957208
EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000 view 6367102
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 view 6288276
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 view 11699050
EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005 view 8894712
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005 view 17816431
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 14733152
EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005 view 10539318
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 7981881
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 11146431
EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 view 35696811
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 11039313
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 11869590
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 11384946
EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000 view 30966248
EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 view 18490798
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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000 view 22204869
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 8133550
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 8314982
EAM_IMD__MD_113599595631_003
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)
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 view 46485355
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 5220737
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)
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 28545954
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001 view 16992765
MEAM_LAMMPS__MD_249792265679_000
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 31429065
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_000 view 48513439
MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000 view 33497576
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000 view 55168577
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_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_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
MEAM_LAMMPS__MD_249792265679_001
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_KimSeolJi_2017_PtNi__MO_020840179467_001 view 19481011
MEAM_LAMMPS_LeeShimBaskes_2003_Ni__MO_000553624872_000 view 82567059
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000 view 74773782
MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001 view 14549675
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 70686357
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004 view 19091779
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004 view 41491855
SNAP__MD_536750310735_000
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 376335983
SNAP_LiHuChen_2018_NiMo__MO_468686727341_000 view 391005637
SNAP_ZuoChenLi_2019_Ni__MO_365106510449_000 view 837459265
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 8441649
Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000 view 48059598
Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000 view 28602836
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_000 view 23917510
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


LJ__MD_414112407348_003
Model Error Categories Link to Error page
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 other view

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view

MEAM_LAMMPS__MD_249792265679_001
Model Error Categories Link to Error page
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_001 other view
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001 other view
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_001 other view
MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_001 other view
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_001 other view
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001 other view
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001 other view
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001 other view
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001 other view
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 other view
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001 other view
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_001 other view
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_001 other view
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_001 other view
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001 other view

SNAP__MD_536750310735_000
Model Error Categories Link to Error page
SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000 other view

No Driver




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