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StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002

Title
A single sentence description.
 Stacking and twinning fault energies for fcc Ni v002
Description Intrinsic and extrinsic stacking fault energies, unstable stacking fault energy, unstable twinning energy, stacking fault energy as a function of fractional displacement, and gamma surface for fcc Ni at zero temperature and pressure.
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 Subrahmanyam Pattamatta
Maintainer Subrahmanyam Pattamatta
Published on KIM 2019
How to Cite

This Test originally published in [1] is archived in OpenKIM [2-5].

[1] Bernstein N, Tadmor EB. Tight-binding calculations of stacking energies and twinnability in fcc metals. Physical Review B. 2004Mar;69(9):094116. doi:10.1103/PhysRevB.69.094116

[2] Pattamatta S. Stacking and twinning fault energies for fcc Ni v002 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_566405684463_002

[3] Pattamatta S. Stacking and twinning fault energies of an fcc lattice at zero temperature and pressure v002. OpenKIM; 2019. doi:10.25950/b4cfaf9a

[4] 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

[5] 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_566405684463_002
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.
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002
Citable Link https://openkim.org/cite/TE_566405684463_002
KIM Item TypeTest
DriverStackingFaultFccCrystal__TD_228501831190_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
Previous Version StackingFaultFccCrystal_0bar_Ni__TE_566405684463_001


Models

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_AngeloMoodyBaskes_1995_Ni__MO_800536961967_003 view 7871016
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 3520677
EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000 view 3530306
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 view 4989388
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 view 5465417
EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 view 14598450
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000 view 15402244
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 view 6159962
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 6224548
EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 view 6393737
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 view 12386251
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 view 19596276
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 view 12687356
EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 view 26495286
EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000 view 4965780
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 view 4837441
EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000 view 8068071
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 view 18826008
EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005 view 8386076
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005 view 15456349
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005 view 10527676
EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005 view 7432004
EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 view 7315277
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 8938046
EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 view 32020748
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 view 7879179
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000 view 7908417
EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 view 7894981
EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000 view 20366390
EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 view 13544970
EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003 view 5311550
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 view 15299251
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000 view 12108444
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000 view 17640092
EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 view 344586
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000 view 352679
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 1260974
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 view 112761
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 12801198
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001 view 8359717
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_WuLeeSu_2017_NiFe__MO_321233176498_000 view 20734483
MEAM_LAMMPS__MD_249792265679_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)
MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_002 view 32609791
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 view 62202844
MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_002 view 37476221
MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 view 55742655
MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_002 view 35613402
MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_002 view 45017098
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_002 view 69981051
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002 view 47049135
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002 view 89736911
MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002 view 19306314
MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002 view 92859230
MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_002 view 37312636
MEAM_LAMMPS_LeeShim_2004_NiCu__MO_409065472403_002 view 37394723
MEAM_LAMMPS_LeeShimBaskes_2003_Ni__MO_000553624872_001 view 37244611
MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001 view 41424857
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002 view 68606971
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_002 view 87903466
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_002 view 61820754
MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_002 view 36495670
MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_002 view 32370182
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002 view 29300508
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 42888366
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004 view 12274976
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004 view 24651256
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 127763596
SNAP_LiHuChen_2018_NiMo__MO_468686727341_000 view 218503942
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 5766145
Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000 view 27360667
Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000 view 16187632
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001 view 9518615
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_000 view 13692508
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000 view 12725224
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000 view 26901949
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000 view 26677450
Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000 view 15500622


Errors

EAM_Dynamo__MD_120291908751_005
Model Error Categories Link to Error page
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000 other view

LJ__MD_414112407348_003
Model Error Categories Link to Error page
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 other 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_Wagner_2007_Ni__MO_444394830472_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__MD_249792265679_002
Model Error Categories Link to Error page
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_002 other view

SNAP__MD_536750310735_000

No Driver


Files

LICENSE.CDDL
Makefile
README.txt
dependencies.edn
kimprovenance.edn
kimspec.edn
pipeline.stdin.tpl
runner

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StackingFaultFccCrystal__TD_228501831190_002.zip Zip Windows archive

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