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StackingFaultFccCrystal_0bar_Cu__TE_090810770014_002

Title
A single sentence description.
Stacking and twinning fault energies for fcc Cu 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 Cu at zero temperature and pressure.
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 SubrahmanyamPattamatta
Maintainer SubrahmanyamPattamatta
Author Subrahmanyam Pattamatta
Publication Year 2019
Item Citation

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 Cu v002. OpenKIM; 2019.

[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.
Short KIM ID
The unique KIM identifier code.
TE_090810770014_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_Cu__TE_090810770014_002
Citable Link https://openkim.org/cite/TE_090810770014_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_Cu__TE_090810770014_001


Models

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 3448766
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 3509737
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 3536992
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 view 4957175
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 5708341
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 12077447
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 7046857
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 4910535
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 5124862
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 7607816
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 5777981
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 7518439
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 7363196
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 13579011
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 13553803
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 5950786
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 9463914
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 7434116
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 9383141
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 434922
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 8595956
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 20152078
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 9196646
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 485657
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 8588823
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 13717139
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 view 14544791
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 view 9721777
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 view 8468640
Morse_Shifted__MD_552566534109_003
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_003 view 26514562
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_003 view 7766865
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_003 view 19944470
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_NN_Johnson_1988_Cu__MO_887933271505_002 view 3410859
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 view 9280137
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000 view 9425463
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 564429111
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 view 283948887
Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 view 330022708
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 view 8116825
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000 view 15144168
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 22783238
Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000 view 18371667





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